# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_+pbpy
_database_code_depnum_ccdc_archive 'CCDC 2214390'
loop_
_audit_author_name
_audit_author_address
'Xiang-Jian kong'
;Xiamen University
China
;
_audit_update_record             
;
2022-11-29 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H18 N2'
_chemical_formula_sum            'C17 H18 N2'
_chemical_formula_weight         250.33
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.18000(10)
_cell_length_b                   9.95850(10)
_cell_length_c                   14.79740(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1352.76(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    28123
_cell_measurement_temperature    99.9(9)
_cell_measurement_theta_max      74.9000
_cell_measurement_theta_min      2.9520
_shelx_estimated_absorpt_T_max   0.851
_shelx_estimated_absorpt_T_min   0.768
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0083
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            29957
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.127
_diffrn_reflns_theta_min         5.354
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.9(9)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     38.00  99.00   0.50    0.60    --  109.59 -77.00   0.00  122
  2  ω     36.00  70.00   0.50    0.60    --  109.59 -61.00  90.00   68
  3  ω    103.00 128.00   0.50    0.60    --  109.59  81.00 -89.00   50
  4  ω     13.00  42.00   0.50    0.15    --   43.34  81.00 -89.00   58
  5  ω    -91.00 -64.00   0.50    0.60    --  -96.00 -80.00 -99.60   54
  6  ω   -170.00-136.00   0.50    0.60    --  -96.00 -80.00 -99.60   68
  7  ω   -122.00 -64.00   0.50    0.60    --  -96.00 -80.00  23.13  116
  8  ω    -98.00 -64.00   0.50    0.60    --  -96.00 -80.00 104.21   68
  9  ω    -89.00 -64.00   0.50    0.60    --  -96.00 -79.00 167.83   50
 10  ω   -142.00-112.00   0.50    0.60    --  -96.00 -79.00 167.83   60
 11  ω   -170.00-144.00   0.50    0.60    --  -96.00 -79.00 167.83   52
 12  ω   -171.00-145.00   0.50    0.60    --  -96.00 -77.00  60.00   52
 13  ω   -133.00 -65.00   0.50    0.60    --  -96.00 -77.00 120.00  136
 14  ω    -90.00 -65.00   0.50    0.60    --  -96.00 -77.00  60.00   50
 15  ω    -92.00 -65.00   0.50    0.60    --  -96.00 -77.00   0.00   54
 16  ω    -90.00 -65.00   0.50    0.60    --  -96.00 -77.00 -60.00   50
 17  ω   -170.00-107.00   0.50    0.60    --  -96.00 -77.00 -60.00  126
 18  ω   -163.00-117.00   0.50    0.60    --  -96.00 -77.00-150.00   92
 19  ω   -111.00 -65.00   0.50    0.60    --  -96.00 -77.00-150.00   92
 20  ω   -169.00 -65.00   0.50    0.60    --  -96.00 -77.00-158.76  208
 21  ω   -154.00-121.00   0.50    0.60    --  -96.00 -74.00 -49.58   66
 22  ω    -98.00 -67.00   0.50    0.60    --  -96.00 -74.00 -49.58   62
 23  ω   -170.00 -66.00   0.50    0.60    --  -96.00 -74.00-179.64  208
 24  ω   -170.00-120.00   0.50    0.60    --  -96.00 -71.00 -90.68  100
 25  ω   -171.00 -65.00   0.50    0.60    --  -96.00 -77.00 -30.00  212
 26  ω   -170.00 -67.00   0.50    0.60    --  -96.00 -72.00  -0.86  206
 27  ω   -161.00 -66.00   0.50    0.60    --  -96.00 -77.00  90.00  190
 28  ω    -95.00 -68.00   0.50    0.60    --  -96.00 -71.00  42.92   54
 29  ω   -166.00-122.00   0.50    0.60    --  -96.00 -71.00  42.92   88
 30  ω   -148.00-122.00   0.50    0.60    --  -96.00 -70.00 145.17   52
 31  ω    -97.00 -68.00   0.50    0.60    --  -96.00 -70.00 145.17   58
 32  ω   -171.00 -69.00   0.50    0.60    --  -96.00 -69.00 123.15  204
 33  ω   -159.00 -69.00   0.50    0.60    --  -96.00 -70.00  61.68  180
 34  ω    -94.00 -67.00   0.50    0.60    --  -96.00 -71.00 -90.68   54
 35  ω   -138.00 -74.00   0.50    0.60    --  -96.00 -63.00 -86.60  128
 36  ω   -170.00 -67.00   0.50    0.60    --  -96.00 -71.00-122.56  206
 37  ω   -116.00 -67.00   0.50    0.60    --  -96.00 -71.00-137.78   98
 38  ω    -82.00 -51.00   0.50    0.15    --  -43.34 -77.00-120.00   62
 39  ω    -39.00 -12.00   0.50    0.15    --  -43.34 -77.00-120.00   54
 40  ω    -79.00 -14.00   0.50    0.15    --  -43.34 -77.00 -30.00  130
 41  ω   -116.00 -89.00   0.50    0.15    --  -43.34 -77.00 -30.00   54
 42  ω   -117.00 -88.00   0.50    0.15    --  -43.34 -77.00-120.00   58
 43  ω   -117.00 -63.00   0.50    0.15    --  -43.34 -57.00-180.00  108
 44  ω    -99.00 -22.00   0.50    0.15    --  -43.34 -57.00 -90.00  154
 45  ω    -60.00 -19.00   0.50    0.15    --  -43.34 -57.00-180.00   82
 46  ω   -103.00 -19.00   0.50    0.15    --  -43.34 -57.00   0.00  168
 47  ω    -51.00 -12.00   0.50    0.15    --  -43.34 -77.00  30.00   78
 48  ω    -61.00 -21.00   0.50    0.15    --  -43.34 -77.00  90.00   80
 49  ω    -85.00 -18.00   0.50    0.15    --  -43.34 -37.00  60.00  134
 50  ω   -120.00 -91.00   0.50    0.15    --  -43.34 -37.00  60.00   58
 51  ω   -104.00 -61.00   0.50    0.15    --  -43.34 -81.00 147.00   86
 52  ω    -47.00 -11.00   0.50    0.15    --  -43.34 -81.00 147.00   72
 53  ω    -89.00 -63.00   0.50    0.60    --  -96.00 -81.00 147.00   52
 54  ω   -123.00 -63.00   0.50    0.60    --  -96.00 -81.00  82.32  120
 55  ω   -171.00-130.00   0.50    0.60    --  -96.00 -81.00  82.32   82
 56  ω   -168.00-120.00   0.50    0.60    --  -96.00 -82.00  36.18   96
 57  ω   -114.00 -63.00   0.50    0.60    --  -96.00 -82.00  36.18  102
 58  ω   -132.00 -64.00   0.50    0.60    --  -96.00 -81.00 -10.35  136
 59  ω    -69.00 -21.00   0.50    0.60    --  -96.00  61.00-120.00   96
 60  ω    -93.00 -22.00   0.50    0.60    --  -96.00  81.00 -89.00  142
 61  ω   -123.00 -96.00   0.50    0.60    --  -96.00  81.00 -89.00   54
 62  ω   -104.00 -59.00   0.50    0.60    --  -96.00  77.00 -30.00   90
 63  ω    -91.00 -21.00   0.50    0.15    --  -43.34 125.00 -60.00  140
 64  ω    -44.00 -18.00   0.50    0.15    --  -43.34  81.00 -89.00   52
 65  ω     57.00  82.00   0.50    0.60    --  109.59 -81.00 147.00   50
 66  ω     43.00 116.00   0.50    0.60    --  109.59-125.00 120.00  146
 67  ω     75.00 105.00   0.50    0.60    --  109.59 -94.00  60.00   60
 68  ω     66.00 122.00   0.50    0.60    --  109.59-131.00  45.94  112
 69  ω     60.00 116.00   0.50    0.60    --  109.59-125.00 -30.00  112
 70  ω     49.00 108.00   0.50    0.60    --  109.59 -94.00 -30.00  118
 71  ω     31.00  98.00   0.50    0.15    --   43.34-125.00  90.00  134
 72  ω     13.00  74.00   0.50    0.15    --   43.34 -81.00 147.00  122
 73  ω     46.00 106.00   0.50    0.60    --  109.59 -94.00 150.00  120
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0868509000
_diffrn_orient_matrix_UB_12      0.0618845000
_diffrn_orient_matrix_UB_13      0.0787710000
_diffrn_orient_matrix_UB_21      -0.1431385000
_diffrn_orient_matrix_UB_22      0.0479252000
_diffrn_orient_matrix_UB_23      0.0437097000
_diffrn_orient_matrix_UB_31      -0.0110925000
_diffrn_orient_matrix_UB_32      -0.1334659000
_diffrn_orient_matrix_UB_33      0.0521809000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.698
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.933
_reflns_number_gt                2661
_reflns_number_total             2669
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.110
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details 
;
 Flack x determined using 1090 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.11(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         2669
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0292
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0376P)²+0.2869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0733
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Ternary CH refined with riding coordinates:
 C13(H13), C12(H12)
1.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C11(H11A,H11B)
1.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C10(H10), C3(H3), C4(H4), C2(H2), C1(H1)
1.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N2 N 0.64537(14) 0.68612(13) 0.26079(9) 0.0214(3) Uani 1 1 d . . . . .
N1 N 0.66068(14) 0.53441(14) 0.48257(9) 0.0227(3) Uani 1 1 d . . . . .
C6 C 0.60001(16) 0.61700(14) 0.33386(10) 0.0189(3) Uani 1 1 d . . . . .
C7 C 0.46105(17) 0.56090(15) 0.33987(10) 0.0205(3) Uani 1 1 d . . . . .
H7 H 0.433216 0.512089 0.392255 0.025 Uiso 1 1 calc R U . . .
C5 C 0.70451(16) 0.60608(14) 0.41052(11) 0.0191(3) Uani 1 1 d . . . . .
C10 C 0.55023(17) 0.70137(15) 0.19315(10) 0.0219(3) Uani 1 1 d . . . . .
H10 H 0.580802 0.750709 0.141578 0.026 Uiso 1 1 calc R U . . .
C13 C 0.30085(17) 0.66611(17) 0.11756(10) 0.0225(3) Uani 1 1 d . . . . .
H13 H 0.335035 0.715614 0.062717 0.027 Uiso 1 1 calc R U . . .
C3 C 0.83880(18) 0.67116(16) 0.40796(11) 0.0246(3) Uani 1 1 d . . . . .
H3 H 0.868414 0.718802 0.355457 0.029 Uiso 1 1 calc R U . . .
C8 C 0.36379(17) 0.57677(15) 0.26895(11) 0.0205(3) Uani 1 1 d . . . . .
C4 C 0.74954(18) 0.52901(18) 0.55398(11) 0.0260(3) Uani 1 1 d . . . . .
H4 H 0.719628 0.477660 0.604806 0.031 Uiso 1 1 calc R U . . .
C9 C 0.40920(16) 0.64965(15) 0.19330(10) 0.0194(3) Uani 1 1 d . . . . .
C2 C 0.92854(18) 0.66530(17) 0.48320(12) 0.0295(4) Uani 1 1 d . . . . .
H2 H 1.020148 0.709685 0.483194 0.035 Uiso 1 1 calc R U . . .
C12 C 0.13060(17) 0.55909(15) 0.18289(11) 0.0242(3) Uani 1 1 d . . . . .
H12 H 0.028607 0.524600 0.177929 0.029 Uiso 1 1 calc R U . . .
C1 C 0.88305(19) 0.59411(17) 0.55817(11) 0.0277(4) Uani 1 1 d . . . . .
H1 H 0.941467 0.589826 0.611085 0.033 Uiso 1 1 calc R U . . .
C17 C 0.23065(18) 0.52557(17) 0.10166(11) 0.0264(3) Uani 1 1 d . . . . .
H17A H 0.178811 0.516622 0.043306 0.032 Uiso 1 1 calc R U . . .
H17B H 0.297429 0.449082 0.112161 0.032 Uiso 1 1 calc R U . . .
C15 C 0.15044(16) 0.71064(15) 0.15859(10) 0.0213(3) Uani 1 1 d . . . . .
C16 C 0.14985(18) 0.81353(16) 0.23405(11) 0.0250(3) Uani 1 1 d . . . . .
H16A H 0.219097 0.786338 0.281018 0.037 Uiso 1 1 calc R U . . .
H16B H 0.051884 0.819445 0.260067 0.037 Uiso 1 1 calc R U . . .
H16C H 0.178180 0.901346 0.209874 0.037 Uiso 1 1 calc R U . . .
C11 C 0.20971(16) 0.52210(17) 0.27036(11) 0.0248(3) Uani 1 1 d . . . . .
H11A H 0.156403 0.559814 0.322688 0.030 Uiso 1 1 calc R U . . .
H11B H 0.212357 0.423212 0.277043 0.030 Uiso 1 1 calc R U . . .
C14 C 0.04302(19) 0.75491(18) 0.08539(11) 0.0296(4) Uani 1 1 d . . . . .
H14A H 0.073924 0.841523 0.060476 0.044 Uiso 1 1 calc R U . . .
H14B H -0.054445 0.763916 0.111724 0.044 Uiso 1 1 calc R U . . .
H14C H 0.040748 0.687642 0.037066 0.044 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N2 C6 1.3478(19) . ?
N2 C10 1.337(2) . ?
N1 C5 1.345(2) . ?
N1 C4 1.336(2) . ?
C6 C7 1.395(2) . ?
C6 C5 1.490(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.387(2) . ?
C5 C3 1.393(2) . ?
C10 H10 0.9500 . ?
C10 C9 1.393(2) . ?
C13 H13 1.0000 . ?
C13 C9 1.508(2) . ?
C13 C17 1.559(2) . ?
C13 C15 1.572(2) . ?
C3 H3 0.9500 . ?
C3 C2 1.386(2) . ?
C8 C9 1.398(2) . ?
C8 C11 1.516(2) . ?
C4 H4 0.9500 . ?
C4 C1 1.388(2) . ?
C2 H2 0.9500 . ?
C2 C1 1.381(3) . ?
C12 H12 1.0000 . ?
C12 C17 1.549(2) . ?
C12 C15 1.562(2) . ?
C12 C11 1.529(2) . ?
C1 H1 0.9500 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C15 C16 1.516(2) . ?
C15 C14 1.530(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C10 N2 C6 117.18(13) . . ?
C4 N1 C5 117.77(14) . . ?
N2 C6 C7 122.55(14) . . ?
N2 C6 C5 116.70(13) . . ?
C7 C6 C5 120.73(13) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 C6 119.65(14) . . ?
C8 C7 H7 120.2 . . ?
N1 C5 C6 116.74(13) . . ?
N1 C5 C3 122.22(14) . . ?
C3 C5 C6 121.01(14) . . ?
N2 C10 H10 117.8 . . ?
N2 C10 C9 124.31(14) . . ?
C9 C10 H10 117.8 . . ?
C9 C13 H13 116.7 . . ?
C9 C13 C17 106.70(13) . . ?
C9 C13 C15 108.85(12) . . ?
C17 C13 H13 116.7 . . ?
C17 C13 C15 87.04(12) . . ?
C15 C13 H13 116.7 . . ?
C5 C3 H3 120.5 . . ?
C2 C3 C5 118.97(15) . . ?
C2 C3 H3 120.5 . . ?
C7 C8 C9 118.24(14) . . ?
C7 C8 C11 123.32(14) . . ?
C9 C8 C11 118.42(14) . . ?
N1 C4 H4 118.1 . . ?
N1 C4 C1 123.76(15) . . ?
C1 C4 H4 118.1 . . ?
C10 C9 C13 124.86(14) . . ?
C10 C9 C8 118.07(14) . . ?
C8 C9 C13 117.07(14) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 C3 119.14(15) . . ?
C1 C2 H2 120.4 . . ?
C17 C12 H12 115.1 . . ?
C17 C12 C15 87.73(12) . . ?
C15 C12 H12 115.1 . . ?
C11 C12 H12 115.1 . . ?
C11 C12 C17 108.86(12) . . ?
C11 C12 C15 111.85(13) . . ?
C4 C1 H1 121.0 . . ?
C2 C1 C4 118.09(15) . . ?
C2 C1 H1 121.0 . . ?
C13 C17 H17A 114.3 . . ?
C13 C17 H17B 114.3 . . ?
C12 C17 C13 86.25(11) . . ?
C12 C17 H17A 114.3 . . ?
C12 C17 H17B 114.3 . . ?
H17A C17 H17B 111.4 . . ?
C12 C15 C13 85.35(11) . . ?
C16 C15 C13 118.58(13) . . ?
C16 C15 C12 118.89(13) . . ?
C16 C15 C14 108.94(13) . . ?
C14 C15 C13 111.96(13) . . ?
C14 C15 C12 111.49(13) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C8 C11 C12 110.18(13) . . ?
C8 C11 H11A 109.6 . . ?
C8 C11 H11B 109.6 . . ?
C12 C11 H11A 109.6 . . ?
C12 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C6 C7 C8 -0.6(2) . . . . ?
N2 C6 C5 N1 -178.45(13) . . . . ?
N2 C6 C5 C3 3.6(2) . . . . ?
N2 C10 C9 C13 179.98(14) . . . . ?
N2 C10 C9 C8 -0.1(2) . . . . ?
N1 C5 C3 C2 -2.0(2) . . . . ?
N1 C4 C1 C2 -2.0(2) . . . . ?
C6 N2 C10 C9 -0.6(2) . . . . ?
C6 C7 C8 C9 -0.2(2) . . . . ?
C6 C7 C8 C11 -178.60(14) . . . . ?
C6 C5 C3 C2 175.86(14) . . . . ?
C7 C6 C5 N1 3.3(2) . . . . ?
C7 C6 C5 C3 -174.68(14) . . . . ?
C7 C8 C9 C10 0.5(2) . . . . ?
C7 C8 C9 C13 -179.57(13) . . . . ?
C7 C8 C11 C12 178.92(14) . . . . ?
C5 N1 C4 C1 0.7(2) . . . . ?
C5 C6 C7 C8 177.57(13) . . . . ?
C5 C3 C2 C1 0.6(2) . . . . ?
C10 N2 C6 C7 1.0(2) . . . . ?
C10 N2 C6 C5 -177.26(13) . . . . ?
C3 C2 C1 C4 1.2(2) . . . . ?
C4 N1 C5 C6 -176.63(13) . . . . ?
C4 N1 C5 C3 1.3(2) . . . . ?
C9 C13 C17 C12 81.37(13) . . . . ?
C9 C13 C15 C12 -79.42(13) . . . . ?
C9 C13 C15 C16 41.08(18) . . . . ?
C9 C13 C15 C14 169.27(13) . . . . ?
C9 C8 C11 C12 0.50(19) . . . . ?
C17 C13 C9 C10 134.58(15) . . . . ?
C17 C13 C9 C8 -45.34(18) . . . . ?
C17 C13 C15 C12 27.22(11) . . . . ?
C17 C13 C15 C16 147.72(14) . . . . ?
C17 C13 C15 C14 -84.09(14) . . . . ?
C17 C12 C15 C13 -27.38(11) . . . . ?
C17 C12 C15 C16 -147.60(14) . . . . ?
C17 C12 C15 C14 84.41(14) . . . . ?
C17 C12 C11 C8 47.67(16) . . . . ?
C15 C13 C9 C10 -132.82(15) . . . . ?
C15 C13 C9 C8 47.27(18) . . . . ?
C15 C13 C17 C12 -27.43(11) . . . . ?
C15 C12 C17 C13 27.60(11) . . . . ?
C15 C12 C11 C8 -47.60(18) . . . . ?
C11 C8 C9 C10 179.01(14) . . . . ?
C11 C8 C9 C13 -1.1(2) . . . . ?
C11 C12 C17 C13 -84.74(13) . . . . ?
C11 C12 C15 C13 82.05(14) . . . . ?
C11 C12 C15 C16 -38.17(19) . . . . ?
C11 C12 C15 C14 -166.16(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.454
_oxdiff_exptl_absorpt_empirical_full_min 0.596
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_-pbpy
_database_code_depnum_ccdc_archive 'CCDC 2214391'
loop_
_audit_author_name
_audit_author_address
'Xiang-Jian kong'
;Xiamen University
China
;
_audit_update_record             
;
2022-11-29 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H18 N2'
_chemical_formula_sum            'C17 H18 N2'
_chemical_formula_weight         250.33
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C22 N2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.18570(10)
_cell_length_b                   9.95130(10)
_cell_length_c                   14.77970(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1351.01(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    27089
_cell_measurement_temperature    100.0(8)
_cell_measurement_theta_max      75.0210
_cell_measurement_theta_min      2.9840
_shelx_estimated_absorpt_T_max   0.873
_shelx_estimated_absorpt_T_min   0.807
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0085
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            29776
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.079
_diffrn_reflns_theta_min         5.359
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(8)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     11.00  52.00   0.50    0.20    --   43.34  82.00 -96.00   82
  2  ω    103.00 128.00   0.50    0.60    --  109.59  82.00 -96.00   50
  3  ω     45.00  70.00   0.50    0.60    --  109.59 -61.00  90.00   50
  4  ω     40.00  69.00   0.50    0.60    --  109.59 -61.00  30.00   58
  5  ω     45.00 104.00   0.50    0.60    --  109.59 -77.00-180.00  118
  6  ω    -75.00  -6.00   0.50    0.20    --  -43.34  82.00 -96.00  138
  7  ω    -99.00 -74.00   0.50    0.60    --  -96.00  82.00 -96.00   50
  8  ω    -90.00 -51.00   0.50    0.60    --  -96.00 125.00  90.00   78
  9  ω      0.00  31.00   0.50    0.20    --  -43.34  82.00 -96.00   62
 10  ω   -100.00 -71.00   0.50    0.20    --  -43.34 -77.00   0.00   58
 11  ω   -102.00 -76.00   0.50    0.20    --  -43.34 -77.00  90.00   52
 12  ω    -71.00 -12.00   0.50    0.20    --  -43.34 -77.00  90.00  118
 13  ω    -73.00 -19.00   0.50    0.20    --  -43.34 -57.00  90.00  108
 14  ω    -66.00 -12.00   0.50    0.20    --  -43.34 -77.00   0.00  108
 15  ω   -117.00 -12.00   0.50    0.20    --  -43.34 -77.00-120.00  210
 16  ω   -111.00 -12.00   0.50    0.20    --  -43.34 -77.00 -60.00  198
 17  ω    -76.00 -19.00   0.50    0.20    --  -43.34 -57.00   0.00  114
 18  ω   -116.00 -54.00   0.50    0.20    --  -43.34 -57.00 150.00  124
 19  ω    -52.00 -24.00   0.50    0.20    --  -43.34 -57.00 150.00   56
 20  ω    -45.00 -18.00   0.50    0.20    --  -43.34 -37.00 150.00   54
 21  ω    -96.00 -60.00   0.50    0.20    --  -43.34 -37.00 150.00   72
 22  ω   -103.00 -65.00   0.50    0.60    --  -96.00 -79.00 173.75   76
 23  ω   -171.00-110.00   0.50    0.60    --  -96.00 -79.00 173.75  122
 24  ω   -170.00-127.00   0.50    0.60    --  -96.00 -77.00  90.00   86
 25  ω    -92.00 -66.00   0.50    0.60    --  -96.00 -77.00  90.00   52
 26  ω   -138.00-112.00   0.50    0.60    --  -96.00 -77.00  30.00   52
 27  ω   -147.00-111.00   0.50    0.60    --  -96.00 -77.00 120.00   72
 28  ω   -109.00 -66.00   0.50    0.60    --  -96.00 -77.00 120.00   86
 29  ω   -170.00 -65.00   0.50    0.60    --  -96.00 -77.00  45.99  210
 30  ω   -171.00 -65.00   0.50    0.60    --  -96.00 -77.00 -30.00  212
 31  ω    -96.00 -65.00   0.50    0.60    --  -96.00 -77.00-126.90   62
 32  ω   -170.00 -65.00   0.50    0.60    --  -96.00 -77.00-150.00  210
 33  ω   -168.00-128.00   0.50    0.60    --  -96.00 -77.00-126.90   80
 34  ω   -168.00-121.00   0.50    0.60    --  -96.00 -77.00-107.48   94
 35  ω   -126.00 -99.00   0.50    0.60    --  -96.00 -77.00-126.90   54
 36  ω   -170.00-104.00   0.50    0.60    --  -96.00 -77.00-180.00  132
 37  ω    -95.00 -66.00   0.50    0.60    --  -96.00 -77.00-180.00   58
 38  ω    -90.00 -65.00   0.50    0.60    --  -96.00 -77.00 -20.05   50
 39  ω    -92.00 -65.00   0.50    0.60    --  -96.00 -77.00  30.00   54
 40  ω   -113.00 -65.00   0.50    0.60    --  -96.00 -77.00 154.55   96
 41  ω   -171.00-122.00   0.50    0.60    --  -96.00 -77.00 154.55   98
 42  ω   -164.00-113.00   0.50    0.60    --  -96.00 -76.00  97.87  102
 43  ω   -101.00 -65.00   0.50    0.60    --  -96.00 -76.00  97.87   72
 44  ω   -168.00-128.00   0.50    0.60    --  -96.00 -76.00 -38.36   80
 45  ω   -170.00 -66.00   0.50    0.60    --  -96.00 -75.00 -91.27  208
 46  ω    -90.00 -65.00   0.50    0.60    --  -96.00 -77.00-107.48   50
 47  ω   -121.00 -66.00   0.50    0.60    --  -96.00 -76.00 -38.36  110
 48  ω    -96.00 -66.00   0.50    0.60    --  -96.00 -74.00 -13.70   60
 49  ω   -138.00 -67.00   0.50    0.60    --  -96.00 -72.00  -4.27  142
 50  ω   -154.00-127.00   0.50    0.60    --  -96.00 -72.00  57.38   54
 51  ω   -106.00 -67.00   0.50    0.60    --  -96.00 -72.00  57.38   78
 52  ω   -118.00 -68.00   0.50    0.60    --  -96.00 -69.00  68.21  100
 53  ω   -167.00-122.00   0.50    0.60    --  -96.00 -69.00  68.21   90
 54  ω   -152.00 -68.00   0.50    0.60    --  -96.00 -70.00 -76.53  168
 55  ω    -95.00 -70.00   0.50    0.60    --  -96.00 -61.00-180.00   50
 56  ω   -171.00 -69.00   0.50    0.60    --  -96.00 -67.00   1.17  204
 57  ω    -52.00 -10.00   0.50    0.20    --  -43.34 -82.00 141.00   84
 58  ω   -162.00 -63.00   0.50    0.60    --  -96.00 -82.00 141.00  198
 59  ω    -91.00 -63.00   0.50    0.60    --  -96.00 -81.00 -48.26   56
 60  ω   -124.00 -99.00   0.50    0.60    --  -96.00 -81.00 -48.26   50
 61  ω   -146.00-112.00   0.50    0.60    --  -96.00 -82.00-132.88   68
 62  ω   -103.00 -63.00   0.50    0.60    --  -96.00 -82.00-132.88   80
 63  ω    -88.00 -63.00   0.50    0.60    --  -96.00 -81.00 152.59   50
 64  ω     47.00  74.00   0.50    0.60    --  109.59 -82.00 141.00   54
 65  ω     53.00 116.00   0.50    0.60    --  109.59-125.00 120.00  126
 66  ω     84.00 116.00   0.50    0.60    --  109.59-125.00  60.00   64
 67  ω     50.00  76.00   0.50    0.60    --  109.59-125.00  60.00   52
 68  ω     59.00 110.00   0.50    0.60    --  109.59-125.00   0.00  102
 69  ω     77.00 113.00   0.50    0.60    --  109.59-125.00-120.00   72
 70  ω     70.00 115.00   0.50    0.60    --  109.59-125.00-150.00   90
 71  ω     36.00  62.00   0.50    0.60    --  109.59-125.00-150.00   52
 72  ω     36.00  99.00   0.50    0.60    --  109.59 -94.00 -90.00  126
 73  ω     35.00 108.00   0.50    0.60    --  109.59 -94.00   0.00  146
 74  ω     31.00  98.00   0.50    0.20    --   43.34-125.00  90.00  134
 75  ω     31.00  96.00   0.50    0.20    --   43.34-125.00  30.00  130
 76  ω     -3.00  42.00   0.50    0.20    --   43.34 -82.00 141.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0826702000
_diffrn_orient_matrix_UB_12      -0.0513343000
_diffrn_orient_matrix_UB_13      0.0838280000
_diffrn_orient_matrix_UB_21      0.0172096000
_diffrn_orient_matrix_UB_22      0.1455643000
_diffrn_orient_matrix_UB_23      0.0338457000
_diffrn_orient_matrix_UB_31      -0.1449029000
_diffrn_orient_matrix_UB_32      -0.0120219000
_diffrn_orient_matrix_UB_33      0.0518766000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.695
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.937
_reflns_number_gt                2669
_reflns_number_total             2680
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.134
_refine_diff_density_min         -0.204
_refine_diff_density_rms         0.041
_refine_ls_abs_structure_details 
;
 Flack x determined using 1091 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.05(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         2680
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0279
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0398P)²+0.2456P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0711
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C13(H13), C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C17(H17A,H17B)
2.c Aromatic/amide H refined with riding coordinates:
 C7(H7), C10(H10), C4(H4), C3(H3), C2(H2), C1(H1)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N2 N 0.35479(13) 0.68567(12) 0.26039(8) 0.0194(3) Uani 1 1 d . . . . .
N1 N 0.33966(13) 0.53413(13) 0.48247(8) 0.0209(3) Uani 1 1 d . . . . .
C6 C 0.39979(15) 0.61637(14) 0.33349(9) 0.0171(3) Uani 1 1 d . . . . .
C7 C 0.53866(15) 0.55985(14) 0.33953(9) 0.0182(3) Uani 1 1 d . . . . .
H7 H 0.566296 0.510827 0.391941 0.022 Uiso 1 1 calc R U . . .
C10 C 0.44977(16) 0.70058(14) 0.19263(9) 0.0195(3) Uani 1 1 d . . . . .
H10 H 0.419122 0.749792 0.140947 0.023 Uiso 1 1 calc R U . . .
C13 C 0.69861(16) 0.66558(15) 0.11708(9) 0.0195(3) Uani 1 1 d . . . . .
H13 H 0.664430 0.715216 0.062212 0.023 Uiso 1 1 calc R U . . .
C5 C 0.29545(15) 0.60580(13) 0.41031(10) 0.0177(3) Uani 1 1 d . . . . .
C8 C 0.63588(16) 0.57571(14) 0.26863(10) 0.0178(3) Uani 1 1 d . . . . .
C4 C 0.25095(16) 0.52911(16) 0.55419(10) 0.0235(3) Uani 1 1 d . . . . .
H4 H 0.280946 0.477877 0.605116 0.028 Uiso 1 1 calc R U . . .
C9 C 0.59067(15) 0.64884(14) 0.19267(9) 0.0171(3) Uani 1 1 d . . . . .
C3 C 0.16123(17) 0.67107(15) 0.40794(10) 0.0228(3) Uani 1 1 d . . . . .
H3 H 0.131527 0.718585 0.355339 0.027 Uiso 1 1 calc R U . . .
C12 C 0.86919(15) 0.55808(14) 0.18239(10) 0.0207(3) Uani 1 1 d . . . . .
H12 H 0.971066 0.523477 0.177315 0.025 Uiso 1 1 calc R U . . .
C2 C 0.07173(17) 0.66574(16) 0.48329(11) 0.0268(3) Uani 1 1 d . . . . .
H2 H -0.019717 0.710330 0.483337 0.032 Uiso 1 1 calc R U . . .
C1 C 0.11753(17) 0.59449(16) 0.55848(10) 0.0249(3) Uani 1 1 d . . . . .
H1 H 0.059354 0.590395 0.611548 0.030 Uiso 1 1 calc R U . . .
C11 C 0.78984(15) 0.52109(16) 0.27011(10) 0.0211(3) Uani 1 1 d . . . . .
H11A H 0.787232 0.422144 0.276857 0.025 Uiso 1 1 calc R U . . .
H11B H 0.843039 0.558919 0.322500 0.025 Uiso 1 1 calc R U . . .
C16 C 0.85007(17) 0.81263(15) 0.23409(10) 0.0225(3) Uani 1 1 d . . . . .
H16A H 0.822182 0.900745 0.210079 0.034 Uiso 1 1 calc R U . . .
H16B H 0.947976 0.818033 0.260184 0.034 Uiso 1 1 calc R U . . .
H16C H 0.780697 0.785432 0.281011 0.034 Uiso 1 1 calc R U . . .
C17 C 0.76859(16) 0.52484(16) 0.10111(10) 0.0237(3) Uani 1 1 d . . . . .
H17A H 0.701763 0.448387 0.111692 0.028 Uiso 1 1 calc R U . . .
H17B H 0.820140 0.515830 0.042598 0.028 Uiso 1 1 calc R U . . .
C15 C 0.84910(15) 0.70991(14) 0.15816(9) 0.0187(3) Uani 1 1 d . . . . .
C14 C 0.95649(17) 0.75428(16) 0.08490(10) 0.0258(3) Uani 1 1 d . . . . .
H14A H 0.959387 0.686647 0.036745 0.039 Uiso 1 1 calc R U . . .
H14B H 1.053714 0.764014 0.111403 0.039 Uiso 1 1 calc R U . . .
H14C H 0.925150 0.840618 0.059639 0.039 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N2 C6 1.3467(18) . ?
N2 C10 1.3365(19) . ?
N1 C5 1.3457(18) . ?
N1 C4 1.3379(19) . ?
C6 C7 1.3970(19) . ?
C6 C5 1.4895(18) . ?
C7 H7 0.9500 . ?
C7 C8 1.3858(19) . ?
C10 H10 0.9500 . ?
C10 C9 1.393(2) . ?
C13 H13 1.0000 . ?
C13 C9 1.5030(19) . ?
C13 C17 1.559(2) . ?
C13 C15 1.5730(19) . ?
C5 C3 1.394(2) . ?
C8 C9 1.4008(19) . ?
C8 C11 1.5152(19) . ?
C4 H4 0.9500 . ?
C4 C1 1.389(2) . ?
C3 H3 0.9500 . ?
C3 C2 1.385(2) . ?
C12 H12 1.0000 . ?
C12 C11 1.5322(19) . ?
C12 C17 1.551(2) . ?
C12 C15 1.5637(19) . ?
C2 H2 0.9500 . ?
C2 C1 1.384(2) . ?
C1 H1 0.9500 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 C15 1.518(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C15 C14 1.530(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C10 N2 C6 117.24(12) . . ?
C4 N1 C5 117.64(13) . . ?
N2 C6 C7 122.52(13) . . ?
N2 C6 C5 116.76(12) . . ?
C7 C6 C5 120.69(12) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 C6 119.62(12) . . ?
C8 C7 H7 120.2 . . ?
N2 C10 H10 117.8 . . ?
N2 C10 C9 124.41(13) . . ?
C9 C10 H10 117.8 . . ?
C9 C13 H13 116.8 . . ?
C9 C13 C17 106.55(12) . . ?
C9 C13 C15 108.90(11) . . ?
C17 C13 H13 116.8 . . ?
C17 C13 C15 87.02(11) . . ?
C15 C13 H13 116.8 . . ?
N1 C5 C6 116.57(12) . . ?
N1 C5 C3 122.26(13) . . ?
C3 C5 C6 121.14(13) . . ?
C7 C8 C9 118.30(13) . . ?
C7 C8 C11 123.34(13) . . ?
C9 C8 C11 118.33(13) . . ?
N1 C4 H4 118.1 . . ?
N1 C4 C1 123.79(14) . . ?
C1 C4 H4 118.1 . . ?
C10 C9 C13 124.86(13) . . ?
C10 C9 C8 117.90(13) . . ?
C8 C9 C13 117.24(13) . . ?
C5 C3 H3 120.4 . . ?
C2 C3 C5 119.14(14) . . ?
C2 C3 H3 120.4 . . ?
C11 C12 H12 115.2 . . ?
C11 C12 C17 108.70(11) . . ?
C11 C12 C15 111.70(12) . . ?
C17 C12 H12 115.2 . . ?
C17 C12 C15 87.61(11) . . ?
C15 C12 H12 115.2 . . ?
C3 C2 H2 120.5 . . ?
C1 C2 C3 119.00(14) . . ?
C1 C2 H2 120.5 . . ?
C4 C1 H1 120.9 . . ?
C2 C1 C4 118.14(14) . . ?
C2 C1 H1 120.9 . . ?
C8 C11 C12 110.22(11) . . ?
C8 C11 H11A 109.6 . . ?
C8 C11 H11B 109.6 . . ?
C12 C11 H11A 109.6 . . ?
C12 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
C13 C17 H17A 114.3 . . ?
C13 C17 H17B 114.3 . . ?
C12 C17 C13 86.38(11) . . ?
C12 C17 H17A 114.3 . . ?
C12 C17 H17B 114.3 . . ?
H17A C17 H17B 111.4 . . ?
C12 C15 C13 85.48(11) . . ?
C16 C15 C13 118.65(12) . . ?
C16 C15 C12 118.73(12) . . ?
C16 C15 C14 108.97(12) . . ?
C14 C15 C13 111.99(11) . . ?
C14 C15 C12 111.40(12) . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C6 C7 C8 0.6(2) . . . . ?
N2 C6 C5 N1 178.66(12) . . . . ?
N2 C6 C5 C3 -3.42(19) . . . . ?
N2 C10 C9 C13 -179.68(13) . . . . ?
N2 C10 C9 C8 0.3(2) . . . . ?
N1 C5 C3 C2 2.0(2) . . . . ?
N1 C4 C1 C2 1.9(2) . . . . ?
C6 N2 C10 C9 0.4(2) . . . . ?
C6 C7 C8 C9 0.06(19) . . . . ?
C6 C7 C8 C11 178.41(13) . . . . ?
C6 C5 C3 C2 -175.78(13) . . . . ?
C7 C6 C5 N1 -3.21(18) . . . . ?
C7 C6 C5 C3 174.71(13) . . . . ?
C7 C8 C9 C10 -0.49(19) . . . . ?
C7 C8 C9 C13 179.48(12) . . . . ?
C7 C8 C11 C12 -178.94(13) . . . . ?
C10 N2 C6 C7 -0.83(19) . . . . ?
C10 N2 C6 C5 177.26(12) . . . . ?
C5 N1 C4 C1 -0.7(2) . . . . ?
C5 C6 C7 C8 -177.38(12) . . . . ?
C5 C3 C2 C1 -0.7(2) . . . . ?
C4 N1 C5 C6 176.57(12) . . . . ?
C4 N1 C5 C3 -1.3(2) . . . . ?
C9 C13 C17 C12 -81.52(12) . . . . ?
C9 C13 C15 C12 79.37(12) . . . . ?
C9 C13 C15 C16 -41.04(17) . . . . ?
C9 C13 C15 C14 -169.36(12) . . . . ?
C9 C8 C11 C12 -0.59(17) . . . . ?
C3 C2 C1 C4 -1.2(2) . . . . ?
C11 C8 C9 C10 -178.92(12) . . . . ?
C11 C8 C9 C13 1.05(19) . . . . ?
C11 C12 C17 C13 84.65(12) . . . . ?
C11 C12 C15 C13 -81.96(12) . . . . ?
C11 C12 C15 C16 38.38(17) . . . . ?
C11 C12 C15 C14 166.18(12) . . . . ?
C17 C13 C9 C10 -134.60(14) . . . . ?
C17 C13 C9 C8 45.43(16) . . . . ?
C17 C13 C15 C12 -27.11(10) . . . . ?
C17 C13 C15 C16 -147.53(12) . . . . ?
C17 C13 C15 C14 84.16(13) . . . . ?
C17 C12 C11 C8 -47.41(15) . . . . ?
C17 C12 C15 C13 27.24(10) . . . . ?
C17 C12 C15 C16 147.58(12) . . . . ?
C17 C12 C15 C14 -84.62(13) . . . . ?
C15 C13 C9 C10 132.85(14) . . . . ?
C15 C13 C9 C8 -47.12(16) . . . . ?
C15 C13 C17 C12 27.32(10) . . . . ?
C15 C12 C11 C8 47.61(16) . . . . ?
C15 C12 C17 C13 -27.48(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.311
_oxdiff_exptl_absorpt_empirical_full_min 0.660
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2214392'
loop_
_audit_author_name
_audit_author_address
'Xiang-Jian kong'
;Xiamen University
China
;
_audit_update_record             
;
2022-11-29 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H126 Eu2 N4 O26 Ti4'
_chemical_formula_sum            'C84 H126 Eu2 N4 O26 Ti4'
_chemical_formula_weight         2103.40
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         C88H132Eu2N6O26Ti4
_chemical_oxdiff_usercomment     lwd-(+)-PA-Eu2Ti4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2191 1.8069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   26.7869(10)
_cell_length_b                   15.6539(4)
_cell_length_c                   14.6425(6)
_cell_angle_alpha                90
_cell_angle_beta                 125.081(6)
_cell_angle_gamma                90
_cell_volume                     5024.5(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15145
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.1120
_cell_measurement_theta_min      3.4480
_shelx_estimated_absorpt_T_max   0.716
_shelx_estimated_absorpt_T_min   0.382
_exptl_absorpt_coefficient_mu    11.935
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_unetI/netI     0.0545
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35765
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.925
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.979
_diffrn_reflns_theta_min         3.469
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     34.00  72.00   0.50    0.05    --   47.62  57.00 -60.00   76
  2  ω     27.00 118.00   0.50    0.05    --   47.62  77.00-150.00  182
  3  ω     58.00  84.00   0.50    0.05    --   47.62  52.00-179.00   52
  4  ω    -12.00  27.00   0.50    0.05    --   47.62 -19.00 -90.00   78
  5  ω    -25.00  11.00   0.50    0.05    --   47.62 -19.00-120.00   72
  6  ω    -23.00  28.00   0.50    0.05    --   47.62 -52.00  35.00  102
  7  ω     89.00 114.00   0.50    0.15    --  107.42  77.00-120.00   50
  8  ω     99.00 136.00   0.50    0.15    --  107.42  52.00-179.00   74
  9  ω    153.00 178.00   0.50    0.15    --  107.42  52.00-179.00   50
 10  ω     38.00  95.00   0.50    0.15    --  107.42 -77.00 -60.00  114
 11  ω     46.00  73.00   0.50    0.15    --  107.42 -61.00   0.00   54
 12  ω     40.00  73.00   0.50    0.15    --  107.42 -61.00  60.00   66
 13  ω     35.00  60.00   0.50    0.15    --  107.42 -52.00  35.00   50
 14  ω     42.00  67.00   0.50    0.15    --  107.42 -61.00 -60.00   50
 15  ω     42.00  68.00   0.50    0.15    --  107.42 -61.00-120.00   52
 16  ω     80.00 105.00   0.50    0.15    --  107.42 -95.00-150.00   50
 17  ω     35.00  73.00   0.50    0.15    --  107.42 -95.00-150.00   76
 18  ω     37.00 112.00   0.50    0.15    --  107.42-125.00-150.00  150
 19  ω    -77.00 -52.00   0.50    0.05    --  -47.62 -52.00  35.00   50
 20  ω   -118.00 -80.00   0.50    0.05    --  -47.62 -38.00-120.00   76
 21  ω    -48.00 -21.00   0.50    0.05    --  -47.62 125.00   0.00   54
 22  ω    -89.00 -50.00   0.50    0.05    --  -47.62 125.00   0.00   78
 23  ω    -69.00 -28.00   0.50    0.15    --  -99.00  61.00 -60.00   82
 24  ω    -56.00  25.00   0.50    0.05    --  -47.62  52.00-179.00  162
 25  ω    -57.00 -31.00   0.50    0.15    --  -99.00  52.00-179.00   52
 26  ω    -68.00 -28.00   0.50    0.15    --  -99.00  61.00  30.00   80
 27  ω    -65.00 -33.00   0.50    0.15    --  -99.00  61.00  90.00   64
 28  ω    -65.00 -28.00   0.50    0.15    --  -99.00  61.00 120.00   74
 29  ω   -171.00-143.00   0.50    0.15    --  -99.00 -15.00   0.00   56
 30  ω   -170.00-113.00   0.50    0.15    --  -99.00 -77.00   0.00  114
 31  ω   -110.00 -78.00   0.50    0.15    --  -99.00 -77.00   0.00   64
 32  ω   -102.00 -77.00   0.50    0.15    --  -99.00 -77.00 -60.00   50
 33  ω   -124.00 -78.00   0.50    0.15    --  -99.00 -77.00 -30.00   92
 34  ω   -168.00-142.00   0.50    0.15    --  -99.00 -61.00 -30.00   52
 35  ω   -117.00 -85.00   0.50    0.15    --  -99.00 -61.00 -30.00   64
 36  ω   -122.00 -84.00   0.50    0.15    --  -99.00 -61.00 -90.00   76
 37  ω   -121.00 -84.00   0.50    0.15    --  -99.00 -61.00 -60.00   74
 38  ω   -169.00 -86.00   0.50    0.15    --  -99.00 -55.00 -76.35  166
 39  ω   -130.00 -86.00   0.50    0.15    --  -99.00 -56.00 -70.31   88
 40  ω   -166.00 -90.00   0.50    0.15    --  -99.00 -45.00 -60.00  152
 41  ω   -142.00-102.00   0.50    0.15    --  -99.00 -52.00  35.00   80
 42  ω   -115.00 -83.00   0.50    0.15    --  -99.00 -77.00 150.00   64
 43  ω   -170.00 -88.00   0.50    0.15    --  -99.00 -61.00 120.00  164
 44  ω   -158.00-128.00   0.50    0.15    --  -99.00 -45.00 150.00   60
 45  ω   -166.00-136.00   0.50    0.15    --  -99.00 -77.00 150.00   60
 46  ω   -169.00 -94.00   0.50    0.15    --  -99.00 -45.00  90.00  150
 47  ω   -138.00-112.00   0.50    0.15    --  -99.00 -15.00   0.00   52
 48  ω   -172.00-118.00   0.50    0.15    --  -99.00 -30.00-120.00  108
 49  ω   -171.00 -89.00   0.50    0.15    --  -99.00 -30.00-150.00  164
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0544412000
_diffrn_orient_matrix_UB_12      -0.0186587000
_diffrn_orient_matrix_UB_13      0.0062701000
_diffrn_orient_matrix_UB_21      -0.0405044000
_diffrn_orient_matrix_UB_22      0.0595863000
_diffrn_orient_matrix_UB_23      -0.1003076000
_diffrn_orient_matrix_UB_31      -0.0184079000
_diffrn_orient_matrix_UB_32      -0.0760184000
_diffrn_orient_matrix_UB_33      -0.0802148000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.873
_reflns_Friedel_fraction_full    0.984
_reflns_Friedel_fraction_max     0.897
_reflns_number_gt                8424
_reflns_number_total             9962
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.491
_refine_diff_density_min         -1.656
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.085(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         9962
_refine_ls_number_restraints     415
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0576
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0908P)²+13.5922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1565
_refine_ls_wR_factor_ref         0.1644
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.915(13)
 0.085(13)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C44-C23 \\sim C44-C23A
 with sigma of 0.02
 C14-C17 \\sim C14-C17A
 with sigma of 0.02
 C32-C11 \\sim C32A-C11A
 with sigma of 0.02
 C44-C33 \\sim C44-C33A
 with sigma of 0.02
 C14-C30 \\sim C14-C30A
 with sigma of 0.02
 C32-C37 \\sim C32A-C37A
 with sigma of 0.02
 C14-C29 \\sim C14-C29A
 with sigma of 0.02
 C44-C21 \\sim C44-C21A
 with sigma of 0.02
 C32-C43 \\sim C32A-C43A
 with sigma of 0.02
 C37-C43 \\sim C37A-C43A
 with sigma of 0.04
 C12-C32 \\sim C12-C32A
 with sigma of 0.02
 C12-C11 \\sim C12-C11A
 with sigma of 0.04
 C12-C37 \\sim C12-C37A
 with sigma of 0.04
 C40-C13 \\sim C40A-C13
 with sigma of 0.02
 C12-C43 \\sim C12-C43A
 with sigma of 0.04
 C11-C37 \\sim C11A-C37A
 with sigma of 0.04
 C11-C43 \\sim C11A-C43A
 with sigma of 0.04
 C13-C40A \\sim C13A-C40B
 with sigma of 0.02
 C40-C13 \\sim C42-C13A
 with sigma of 0.02
 C1-C40 \\sim C1-C42
 with sigma of 0.04
 C1-C41A \\sim C1-C41B
 with sigma of 0.04
 C41A-C40A \\sim C41B-C40B
 with sigma of 0.04
 C1-C40A \\sim C1-C40B
 with sigma of 0.04
 C13-C41A \\sim C13A-C41B
 with sigma of 0.02
 C40-C41A \\sim C42-C41B
 with sigma of 0.04
 C40-C40A \\sim C42-C40B
 with sigma of 0.04
 C1-C13 \\sim C1-C13A
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
C14 \\sim C29 \\sim C17 \\sim C29A \\sim C17A \\sim C30 \\sim C30A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C14 \\sim C30 \\sim C29 \\sim C17 \\sim C30A \\sim C29A \\sim C17A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C32 \\sim C11 \\sim C37 \\sim C43 \\sim C37A \\sim C32A \\sim C43A \\sim C11A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C44 \\sim C23 \\sim C33 \\sim C21 \\sim C21A \\sim C23A \\sim C33A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C40 \\sim C13 \\sim C41A \\sim C40A \\sim C13A \\sim C41B \\sim C40B \\sim C42:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C27 \\sim C15 \\sim C20A \\sim C25A \\sim C7A \\sim C9A \\sim C19A \\sim C39A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
5. Others
 Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=Sof(C23A)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C33A)=Sof(H33D)=Sof(H33E)=Sof(H33F)=1-FVAR(1)
 Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=FVAR(1)
 Sof(C37A)=Sof(H37D)=Sof(H37E)=Sof(H37F)=Sof(C32A)=Sof(C43A)=Sof(H43D)=
 Sof(H43E)=Sof(H43F)=Sof(C11A)=Sof(H11D)=Sof(H11E)=Sof(H11F)=1-FVAR(2)
 Sof(C32)=Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C37)=Sof(H37A)=Sof(H37B)=
 Sof(H37C)=Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=FVAR(2)
 Sof(C30A)=Sof(H30D)=Sof(H30E)=Sof(H30F)=Sof(C29A)=Sof(H29D)=Sof(H29E)=
 Sof(H29F)=Sof(C17A)=Sof(H17D)=Sof(H17E)=Sof(H17F)=1-FVAR(3)
 Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=
 Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=FVAR(3)
 Sof(C13A)=Sof(C42)=Sof(H42A)=Sof(H42B)=Sof(H42C)=Sof(C41B)=Sof(H41D)=
 Sof(H41E)=Sof(H41F)=Sof(C40B)=Sof(H40G)=Sof(H40H)=Sof(H40I)=1-FVAR(4)
 Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(H40C)=Sof(C13)=Sof(C41A)=Sof(H41A)=Sof(H41B)=
 Sof(H41C)=Sof(C40A)=Sof(H40D)=Sof(H40E)=Sof(H40F)=FVAR(4)
6.a Ternary CH refined with riding coordinates:
 C7A(H7A), C19A(H19A)
6.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C9A(H9AA,H9AB)
6.c Me refined with riding coordinates:
 C30(H30A,H30B,H30C), C11(H11A,H11B,H11C), C29(H29A,H29B,H29C), C17(H17A,H17B,
 H17C), C37(H37A,H37B,H37C), C43(H43A,H43B,H43C), C37A(H37D,H37E,H37F),
 C43A(H43D,H43E,H43F), C11A(H11D,H11E,H11F), C41A(H41A,H41B,H41C), C30A(H30D,
 H30E,H30F), C29A(H29D,H29E,H29F), C17A(H17D,H17E,H17F), C41B(H41D,H41E,H41F)
6.d Aromatic/amide H refined with riding coordinates:
 C18(H18), C22(H22), C24(H24), C28(H28), C34(H34), C38(H38)
6.e Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C40(H40A,H40B,H40C), C23(H23A,H23B,H23C), C31(H31A,H31B,
 H31C), C33(H33A,H33B,H33C), C35(H35A,H35B,H35C), C21(H21A,H21B,H21C),
 C21A(H21D,H21E,H21F), C23A(H23D,H23E,H23F), C33A(H33D,H33E,H33F), C40A(H40D,
 H40E,H40F), C42(H42A,H42B,H42C), C40B(H40G,H40H,H40I), C20A(H20A,H20B,H20C),
 C39A(H39A,H39B,H39C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.61862(2) 0.56676(9) 0.73096(4) 0.04648(18) Uani 1 1 d . . . . .
Ti1 Ti 0.53888(11) 0.65845(11) 0.4384(2) 0.0402(6) Uani 1 1 d . . . . .
Ti2 Ti 0.53976(11) 0.47695(12) 0.4401(2) 0.0408(6) Uani 1 1 d . . . . .
O1 O 0.5841(5) 0.6407(6) 0.3621(10) 0.058(3) Uani 1 1 d . . . . .
O4 O 0.6066(5) 0.3897(6) 0.5278(10) 0.057(3) Uani 1 1 d . . . . .
O6 O 0.5861(2) 0.5671(7) 0.5405(4) 0.0445(11) Uani 1 1 d . . . . .
O8 O 0.6461(4) 0.7048(7) 0.7035(9) 0.057(2) Uani 1 1 d . . . . .
O10 O 0.500000 0.6945(9) 0.500000 0.057(3) Uani 1 2 d S T P . .
O12 O 0.4901(5) 0.3957(7) 0.3091(9) 0.059(3) Uani 1 1 d . . . . .
O14 O 0.4868(2) 0.5676(7) 0.3559(5) 0.0460(12) Uani 1 1 d . . . . .
O7 O 0.4047(4) 0.6719(6) 0.1778(9) 0.057(3) Uani 1 1 d . . . . .
O2 O 0.4044(4) 0.4622(7) 0.1800(9) 0.062(3) Uani 1 1 d . . . . .
O9 O 0.4902(4) 0.7404(6) 0.3084(8) 0.054(2) Uani 1 1 d . . . . .
O5 O 0.6474(4) 0.4319(6) 0.7026(9) 0.057(2) Uani 1 1 d . . . . .
N1 N 0.7081(3) 0.5658(11) 0.9412(6) 0.0542(17) Uani 1 1 d . . . . .
C1 C 0.6468(6) 0.3856(10) 0.6337(15) 0.062(4) Uani 1 1 d D . . . .
N4 N 0.7327(3) 0.5709(10) 0.7872(6) 0.0501(16) Uani 1 1 d . . . . .
O11 O 0.500000 0.4422(9) 0.500000 0.059(4) Uani 1 2 d S T P . .
O3 O 0.6064(4) 0.7455(6) 0.5277(8) 0.051(2) Uani 1 1 d . . . . .
C4 C 0.6675(9) 0.9027(10) 0.6521(19) 0.085(6) Uani 1 1 d . . . . .
H4A H 0.635289 0.911147 0.572742 0.128 Uiso 1 1 calc R U . . .
H4B H 0.698689 0.946990 0.677717 0.128 Uiso 1 1 calc R U . . .
H4C H 0.649884 0.906275 0.695049 0.128 Uiso 1 1 calc R U . . .
C6 C 0.7815(3) 0.5682(12) 0.8971(7) 0.0512(19) Uani 1 1 d . . . . .
C8 C 0.4401(6) 0.7318(10) 0.2085(11) 0.052(3) Uani 1 1 d . . . . .
O13 O 0.5853(5) 0.4979(6) 0.3636(10) 0.056(2) Uani 1 1 d . . . . .
C10 C 0.7676(4) 0.5664(12) 0.9809(7) 0.0507(18) Uani 1 1 d . . . . .
C12 C 0.4443(7) 0.4038(10) 0.2139(15) 0.063(4) Uani 1 1 d D . . . .
C14 C 0.6234(4) 0.5696(13) 0.2717(8) 0.058(2) Uani 1 1 d D U . . .
C16 C 0.5962(4) 0.5718(12) 0.3387(8) 0.053(2) Uani 1 1 d . . . . .
C18 C 0.8408(4) 0.5734(12) 0.9259(8) 0.054(2) Uani 1 1 d . . . . .
H18 H 0.874031 0.570135 1.002288 0.065 Uiso 1 1 calc R U . . .
C22 C 0.8131(4) 0.5665(13) 1.0939(8) 0.062(2) Uani 1 1 d . . . . .
H22 H 0.854726 0.566426 1.119510 0.075 Uiso 1 1 calc R U . . .
C24 C 0.7375(6) 0.5669(18) 1.1289(9) 0.076(3) Uani 1 1 d . . . . .
H24 H 0.725706 0.567357 1.179002 0.091 Uiso 1 1 calc R U . . .
C26 C 0.6964(7) 0.8150(10) 0.6691(14) 0.066(4) Uani 1 1 d . . . . .
C28 C 0.6943(5) 0.5661(16) 1.0159(9) 0.068(3) Uani 1 1 d . . . . .
H28 H 0.652469 0.565783 0.989066 0.082 Uiso 1 1 calc R U . . .
C30 C 0.6658(9) 0.4946(13) 0.303(2) 0.070(5) Uani 0.822(15) 1 d D U P A 1
H30A H 0.682230 0.495749 0.257923 0.106 Uiso 0.822(15) 1 calc R U P A 1
H30B H 0.699444 0.498223 0.382201 0.106 Uiso 0.822(15) 1 calc R U P A 1
H30C H 0.643299 0.441315 0.288835 0.106 Uiso 0.822(15) 1 calc R U P A 1
C32 C 0.4312(12) 0.3416(17) 0.120(2) 0.084(6) Uani 0.70(2) 1 d D U P B 1
C34 C 0.7436(4) 0.5785(10) 0.7099(8) 0.053(3) Uani 1 1 d . . . . .
H34 H 0.709735 0.578987 0.633846 0.064 Uiso 1 1 calc R U . . .
C36 C 0.8522(4) 0.5832(7) 0.8467(9) 0.051(3) Uani 1 1 d . . . . .
C38 C 0.7982(5) 0.5669(16) 1.1687(8) 0.068(3) Uani 1 1 d . . . . .
H38 H 0.829160 0.567113 1.246695 0.082 Uiso 1 1 calc R U . . .
C40 C 0.7509(16) 0.355(3) 0.702(4) 0.071(9) Uani 0.30(2) 1 d D U P C 1
H40A H 0.734949 0.390654 0.636110 0.106 Uiso 0.30(2) 1 calc R U P C 1
H40B H 0.776555 0.309494 0.703031 0.106 Uiso 0.30(2) 1 calc R U P C 1
H40C H 0.775200 0.389509 0.769604 0.106 Uiso 0.30(2) 1 calc R U P C 1
C44 C 0.4295(7) 0.8035(10) 0.1283(14) 0.069(4) Uani 1 1 d D U . . .
C11 C 0.4159(11) 0.3823(18) 0.017(2) 0.078(6) Uani 0.70(2) 1 d D U P B 1
H11A H 0.449778 0.418849 0.033478 0.117 Uiso 0.70(2) 1 calc R U P B 1
H11B H 0.408558 0.338336 -0.036850 0.117 Uiso 0.70(2) 1 calc R U P B 1
H11C H 0.379063 0.416990 -0.013780 0.117 Uiso 0.70(2) 1 calc R U P B 1
C23 C 0.3560(16) 0.821(3) 0.059(4) 0.093(13) Uani 0.46(3) 1 d D U P D 1
H23A H 0.333887 0.781065 -0.003073 0.139 Uiso 0.46(3) 1 calc R U P D 1
H23B H 0.347174 0.879966 0.030134 0.139 Uiso 0.46(3) 1 calc R U P D 1
H23C H 0.343056 0.814037 0.109106 0.139 Uiso 0.46(3) 1 calc R U P D 1
C3 C 0.6464(6) 0.7484(9) 0.6329(14) 0.057(4) Uani 1 1 d . . . . .
C13 C 0.6977(14) 0.314(2) 0.698(3) 0.069(8) Uani 0.30(2) 1 d D U P C 1
C27 C 0.8017(5) 0.5857(7) 0.7340(10) 0.057(3) Uani 1 1 d . U . . .
C29 C 0.5679(7) 0.563(2) 0.1498(12) 0.080(4) Uani 0.822(15) 1 d D U P A 1
H29A H 0.541014 0.611980 0.131256 0.120 Uiso 0.822(15) 1 calc R U P A 1
H29B H 0.581704 0.562098 0.100616 0.120 Uiso 0.822(15) 1 calc R U P A 1
H29C H 0.545603 0.510004 0.139617 0.120 Uiso 0.822(15) 1 calc R U P A 1
C15 C 0.9161(5) 0.5898(9) 0.8746(11) 0.069(3) Uani 1 1 d . U . . .
H15A H 0.938873 0.536559 0.911341 0.083 Uiso 1 1 calc R U . . .
H15B H 0.938048 0.637792 0.927105 0.083 Uiso 1 1 calc R U . . .
C31 C 0.7495(8) 0.8040(15) 0.7926(16) 0.088(6) Uani 1 1 d . . . . .
H31A H 0.777710 0.852233 0.816158 0.132 Uiso 1 1 calc R U . . .
H31B H 0.771054 0.750643 0.802076 0.132 Uiso 1 1 calc R U . . .
H31C H 0.733456 0.802295 0.838226 0.132 Uiso 1 1 calc R U . . .
C33 C 0.4556(15) 0.8948(17) 0.202(3) 0.064(7) Uani 0.46(3) 1 d D U P D 1
H33A H 0.433409 0.906889 0.235066 0.096 Uiso 0.46(3) 1 calc R U P D 1
H33B H 0.449517 0.941859 0.152172 0.096 Uiso 0.46(3) 1 calc R U P D 1
H33C H 0.499245 0.888993 0.261102 0.096 Uiso 0.46(3) 1 calc R U P D 1
C17 C 0.6571(9) 0.6534(12) 0.2902(19) 0.062(4) Uani 0.822(15) 1 d D U P A 1
H17A H 0.629061 0.701376 0.269655 0.094 Uiso 0.822(15) 1 calc R U P A 1
H17B H 0.691256 0.658271 0.368989 0.094 Uiso 0.822(15) 1 calc R U P A 1
H17C H 0.672688 0.654207 0.243857 0.094 Uiso 0.822(15) 1 calc R U P A 1
C35 C 0.7213(8) 0.8051(12) 0.5974(16) 0.077(5) Uani 1 1 d . . . . .
H35A H 0.688328 0.814806 0.518738 0.115 Uiso 1 1 calc R U . . .
H35B H 0.737633 0.747313 0.606503 0.115 Uiso 1 1 calc R U . . .
H35C H 0.753867 0.846964 0.621356 0.115 Uiso 1 1 calc R U . . .
C37 C 0.4904(13) 0.285(2) 0.170(3) 0.108(9) Uani 0.70(2) 1 d D U P B 1
H37A H 0.500438 0.258195 0.239100 0.162 Uiso 0.70(2) 1 calc R U P B 1
H37B H 0.483082 0.241333 0.116234 0.162 Uiso 0.70(2) 1 calc R U P B 1
H37C H 0.524400 0.321771 0.186586 0.162 Uiso 0.70(2) 1 calc R U P B 1
C21 C 0.4637(18) 0.791(2) 0.089(3) 0.092(9) Uani 0.46(3) 1 d D U P D 1
H21A H 0.506938 0.790609 0.151286 0.138 Uiso 0.46(3) 1 calc R U P D 1
H21B H 0.455993 0.836847 0.037019 0.138 Uiso 0.46(3) 1 calc R U P D 1
H21C H 0.452916 0.735842 0.050031 0.138 Uiso 0.46(3) 1 calc R U P D 1
C43 C 0.3795(13) 0.2839(17) 0.098(2) 0.089(7) Uani 0.70(2) 1 d D U P B 1
H43A H 0.391038 0.257370 0.168331 0.133 Uiso 0.70(2) 1 calc R U P B 1
H43B H 0.342448 0.317930 0.067624 0.133 Uiso 0.70(2) 1 calc R U P B 1
H43C H 0.371943 0.239276 0.044554 0.133 Uiso 0.70(2) 1 calc R U P B 1
C21A C 0.4747(17) 0.860(2) 0.159(3) 0.099(10) Uani 0.54(3) 1 d D U P D 2
H21D H 0.482225 0.894497 0.221004 0.148 Uiso 0.54(3) 1 calc R U P D 2
H21E H 0.462678 0.896989 0.095182 0.148 Uiso 0.54(3) 1 calc R U P D 2
H21F H 0.511938 0.828737 0.181364 0.148 Uiso 0.54(3) 1 calc R U P D 2
C23A C 0.4108(16) 0.752(2) 0.013(2) 0.070(7) Uani 0.54(3) 1 d D U P D 2
H23D H 0.445621 0.717812 0.028946 0.105 Uiso 0.54(3) 1 calc R U P D 2
H23E H 0.399489 0.793115 -0.045908 0.105 Uiso 0.54(3) 1 calc R U P D 2
H23F H 0.376105 0.713834 -0.011032 0.105 Uiso 0.54(3) 1 calc R U P D 2
C33A C 0.3645(15) 0.848(2) 0.089(3) 0.073(9) Uani 0.54(3) 1 d D U P D 2
H33D H 0.333388 0.803784 0.064087 0.109 Uiso 0.54(3) 1 calc R U P D 2
H33E H 0.351662 0.887696 0.027183 0.109 Uiso 0.54(3) 1 calc R U P D 2
H33F H 0.369693 0.879477 0.151684 0.109 Uiso 0.54(3) 1 calc R U P D 2
C37A C 0.491(2) 0.333(4) 0.129(5) 0.084(10) Uani 0.30(2) 1 d D U P B 2
H37D H 0.529833 0.331195 0.203534 0.126 Uiso 0.30(2) 1 calc R U P B 2
H37E H 0.490025 0.285232 0.084356 0.126 Uiso 0.30(2) 1 calc R U P B 2
H37F H 0.488814 0.387067 0.092536 0.126 Uiso 0.30(2) 1 calc R U P B 2
C32A C 0.436(2) 0.326(2) 0.139(3) 0.086(9) Uani 0.30(2) 1 d D U P B 2
C43A C 0.447(3) 0.242(3) 0.202(5) 0.094(12) Uani 0.30(2) 1 d D U P B 2
H43D H 0.487003 0.243894 0.273613 0.141 Uiso 0.30(2) 1 calc R U P B 2
H43E H 0.415205 0.233934 0.214812 0.141 Uiso 0.30(2) 1 calc R U P B 2
H43F H 0.445790 0.194525 0.157118 0.141 Uiso 0.30(2) 1 calc R U P B 2
C11A C 0.377(2) 0.329(4) 0.032(4) 0.091(11) Uani 0.30(2) 1 d D U P B 2
H11D H 0.372510 0.383506 -0.004099 0.136 Uiso 0.30(2) 1 calc R U P B 2
H11E H 0.375185 0.282140 -0.014903 0.136 Uiso 0.30(2) 1 calc R U P B 2
H11F H 0.344600 0.321549 0.042792 0.136 Uiso 0.30(2) 1 calc R U P B 2
C41A C 0.7157(19) 0.292(3) 0.809(3) 0.084(13) Uani 0.30(2) 1 d D U P C 1
H41A H 0.681045 0.266102 0.804752 0.126 Uiso 0.30(2) 1 calc R U P C 1
H41B H 0.749528 0.250948 0.842529 0.126 Uiso 0.30(2) 1 calc R U P C 1
H41C H 0.728786 0.343444 0.855403 0.126 Uiso 0.30(2) 1 calc R U P C 1
C40A C 0.676(3) 0.237(3) 0.620(5) 0.074(13) Uani 0.30(2) 1 d D U P C 1
H40D H 0.632512 0.226691 0.587159 0.111 Uiso 0.30(2) 1 calc R U P C 1
H40E H 0.699525 0.186388 0.662513 0.111 Uiso 0.30(2) 1 calc R U P C 1
H40F H 0.681388 0.248114 0.560659 0.111 Uiso 0.30(2) 1 calc R U P C 1
C30A C 0.6909(17) 0.580(6) 0.362(5) 0.076(11) Uani 0.178(15) 1 d D U P A 2
H30D H 0.713696 0.579100 0.328816 0.114 Uiso 0.178(15) 1 calc R U P A 2
H30E H 0.697949 0.633854 0.401495 0.114 Uiso 0.178(15) 1 calc R U P A 2
H30F H 0.704681 0.532267 0.415547 0.114 Uiso 0.178(15) 1 calc R U P A 2
C29A C 0.621(4) 0.480(3) 0.224(8) 0.072(11) Uani 0.178(15) 1 d D U P A 2
H29D H 0.578824 0.466449 0.163490 0.107 Uiso 0.178(15) 1 calc R U P A 2
H29E H 0.646248 0.480371 0.195203 0.107 Uiso 0.178(15) 1 calc R U P A 2
H29F H 0.636692 0.437400 0.283288 0.107 Uiso 0.178(15) 1 calc R U P A 2
C17A C 0.604(4) 0.642(4) 0.188(6) 0.074(12) Uani 0.178(15) 1 d D U P A 2
H17D H 0.560643 0.636887 0.127961 0.111 Uiso 0.178(15) 1 calc R U P A 2
H17E H 0.612071 0.697097 0.225326 0.111 Uiso 0.178(15) 1 calc R U P A 2
H17F H 0.627738 0.638383 0.155457 0.111 Uiso 0.178(15) 1 calc R U P A 2
C13A C 0.6979(9) 0.3200(13) 0.658(2) 0.066(5) Uani 0.70(2) 1 d D U P C 2
C42 C 0.7204(11) 0.3417(15) 0.587(2) 0.069(6) Uani 0.70(2) 1 d D U P C 2
H42A H 0.751575 0.300279 0.601352 0.103 Uiso 0.70(2) 1 calc R U P C 2
H42B H 0.738076 0.399223 0.605802 0.103 Uiso 0.70(2) 1 calc R U P C 2
H42C H 0.686215 0.339645 0.508142 0.103 Uiso 0.70(2) 1 calc R U P C 2
C41B C 0.7471(11) 0.3274(18) 0.776(2) 0.084(7) Uani 0.70(2) 1 d D U P C 2
H41D H 0.731720 0.313193 0.820935 0.125 Uiso 0.70(2) 1 calc R U P C 2
H41E H 0.780000 0.287977 0.794275 0.125 Uiso 0.70(2) 1 calc R U P C 2
H41F H 0.762660 0.386094 0.792429 0.125 Uiso 0.70(2) 1 calc R U P C 2
C40B C 0.6677(13) 0.2319(14) 0.626(3) 0.065(6) Uani 0.70(2) 1 d D U P C 2
H40G H 0.643820 0.224494 0.657144 0.098 Uiso 0.70(2) 1 calc R U P C 2
H40H H 0.699199 0.187553 0.656108 0.098 Uiso 0.70(2) 1 calc R U P C 2
H40I H 0.640699 0.227080 0.544704 0.098 Uiso 0.70(2) 1 calc R U P C 2
C20A C 0.8719(10) 0.4485(17) 0.713(3) 0.117(7) Uani 1 1 d . U . . .
H20A H 0.910887 0.422865 0.736459 0.175 Uiso 1 1 calc R U . . .
H20B H 0.838300 0.415206 0.651819 0.175 Uiso 1 1 calc R U . . .
H20C H 0.868467 0.448525 0.776471 0.175 Uiso 1 1 calc R U . . .
C25A C 0.8688(6) 0.5402(10) 0.6747(13) 0.080(3) Uani 1 1 d . U . . .
C7A C 0.9131(6) 0.6045(10) 0.7689(13) 0.076(3) Uani 1 1 d . U . . .
H7A H 0.953184 0.613277 0.780044 0.092 Uiso 1 1 calc R U . . .
C9A C 0.8633(7) 0.6746(12) 0.6970(16) 0.074(4) Uani 1 1 d . U . . .
H9AA H 0.858330 0.717102 0.741271 0.089 Uiso 1 1 calc R U . . .
H9AB H 0.867150 0.702488 0.640693 0.089 Uiso 1 1 calc R U . . .
C19A C 0.8166(6) 0.6005(9) 0.6508(12) 0.071(3) Uani 1 1 d . U . . .
H19A H 0.781078 0.605511 0.570992 0.086 Uiso 1 1 calc R U . . .
C39A C 0.8777(8) 0.5407(15) 0.5795(15) 0.111(7) Uani 1 1 d . U . . .
H39A H 0.898993 0.488513 0.583141 0.167 Uiso 1 1 calc R U . . .
H39B H 0.902078 0.590647 0.587610 0.167 Uiso 1 1 calc R U . . .
H39C H 0.837885 0.543417 0.507459 0.167 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Ti1 3.739(2) 2_656 ?
Eu1 Ti1 3.802(3) . ?
Eu1 Ti2 3.773(3) . ?
Eu1 Ti2 3.746(3) 2_656 ?
Eu1 O6 2.396(5) . ?
Eu1 O8 2.390(10) . ?
Eu1 O14 2.337(5) 2_656 ?
Eu1 O7 2.418(10) 2_656 ?
Eu1 O2 2.384(10) 2_656 ?
Eu1 O5 2.363(10) . ?
Eu1 N1 2.596(7) . ?
Eu1 N4 2.671(7) . ?
Ti1 Ti2 2.8412(18) . ?
Ti1 O1 2.086(10) . ?
Ti1 O6 1.925(9) . ?
Ti1 O10 1.816(5) . ?
Ti1 O14 1.869(10) . ?
Ti1 O9 2.029(10) . ?
Ti1 O3 2.030(9) . ?
Ti2 O4 2.018(10) . ?
Ti2 O6 1.897(10) . ?
Ti2 O12 2.034(11) . ?
Ti2 O14 1.880(10) . ?
Ti2 O11 1.809(5) . ?
Ti2 O13 2.103(10) . ?
O1 C16 1.23(2) . ?
O4 C1 1.28(2) . ?
O8 C3 1.24(2) . ?
O12 C12 1.224(19) . ?
O7 C8 1.220(18) . ?
O2 C12 1.270(19) . ?
O9 C8 1.305(16) . ?
O5 C1 1.24(2) . ?
N1 C10 1.346(11) . ?
N1 C28 1.341(12) . ?
C1 C13 1.59(3) . ?
C1 C13A 1.58(2) . ?
N4 C6 1.373(11) . ?
N4 C34 1.325(13) . ?
O3 C3 1.275(19) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C26 1.52(2) . ?
C6 C10 1.474(13) . ?
C6 C18 1.390(12) . ?
C8 C44 1.53(2) . ?
O13 C16 1.297(19) . ?
C10 C22 1.381(13) . ?
C12 C32 1.56(3) . ?
C12 C32A 1.56(3) . ?
C14 C16 1.521(12) . ?
C14 C30 1.51(3) . ?
C14 C29 1.536(17) . ?
C14 C17 1.52(2) . ?
C14 C30A 1.52(3) . ?
C14 C29A 1.55(3) . ?
C14 C17A 1.53(4) . ?
C18 H18 0.9500 . ?
C18 C36 1.368(15) . ?
C22 H22 0.9500 . ?
C22 C38 1.364(15) . ?
C24 H24 0.9500 . ?
C24 C28 1.370(15) . ?
C24 C38 1.379(16) . ?
C26 C3 1.53(2) . ?
C26 C31 1.54(2) . ?
C26 C35 1.54(3) . ?
C28 H28 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C32 C11 1.45(4) . ?
C32 C37 1.58(3) . ?
C32 C43 1.53(4) . ?
C34 H34 0.9500 . ?
C34 C27 1.388(13) . ?
C36 C27 1.410(15) . ?
C36 C15 1.517(13) . ?
C38 H38 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C40 C13 1.53(3) . ?
C44 C23 1.64(4) . ?
C44 C33 1.68(3) . ?
C44 C21 1.35(3) . ?
C44 C21A 1.35(3) . ?
C44 C23A 1.67(3) . ?
C44 C33A 1.64(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C13 C41A 1.45(4) . ?
C13 C40A 1.53(3) . ?
C27 C19A 1.503(17) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C7A 1.52(2) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C37A H37D 0.9800 . ?
C37A H37E 0.9800 . ?
C37A H37F 0.9800 . ?
C37A C32A 1.59(4) . ?
C32A C43A 1.53(4) . ?
C32A C11A 1.45(4) . ?
C43A H43D 0.9800 . ?
C43A H43E 0.9800 . ?
C43A H43F 0.9800 . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C41A H41A 0.9800 . ?
C41A H41B 0.9800 . ?
C41A H41C 0.9800 . ?
C40A H40D 0.9800 . ?
C40A H40E 0.9800 . ?
C40A H40F 0.9800 . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C13A C42 1.51(3) . ?
C13A C41B 1.45(4) . ?
C13A C40B 1.53(2) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C41B H41D 0.9800 . ?
C41B H41E 0.9800 . ?
C41B H41F 0.9800 . ?
C40B H40G 0.9800 . ?
C40B H40H 0.9800 . ?
C40B H40I 0.9800 . ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C20A H20C 0.9800 . ?
C20A C25A 1.53(3) . ?
C25A C7A 1.56(2) . ?
C25A C19A 1.550(18) . ?
C25A C39A 1.55(2) . ?
C7A H7A 1.0000 . ?
C7A C9A 1.57(2) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C9A C19A 1.55(2) . ?
C19A H19A 1.0000 . ?
C39A H39A 0.9800 . ?
C39A H39B 0.9800 . ?
C39A H39C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ti1 Eu1 Ti1 54.47(7) 2_656 . ?
Ti1 Eu1 Ti2 44.61(3) 2_656 2_656 ?
Ti1 Eu1 Ti2 73.03(5) 2_656 . ?
Ti2 Eu1 Ti1 72.62(5) 2_656 . ?
Ti2 Eu1 Ti1 44.06(3) . . ?
Ti2 Eu1 Ti2 54.63(7) 2_656 . ?
O6 Eu1 Ti1 73.16(16) . 2_656 ?
O6 Eu1 Ti1 25.2(2) . . ?
O6 Eu1 Ti2 25.1(2) . . ?
O6 Eu1 Ti2 73.02(16) . 2_656 ?
O6 Eu1 O7 127.2(3) . 2_656 ?
O6 Eu1 N1 148.2(2) . . ?
O6 Eu1 N4 86.8(2) . . ?
O8 Eu1 Ti1 59.8(3) . . ?
O8 Eu1 Ti1 83.1(2) . 2_656 ?
O8 Eu1 Ti2 100.0(3) . . ?
O8 Eu1 Ti2 124.5(2) . 2_656 ?
O8 Eu1 O6 75.1(4) . . ?
O8 Eu1 O7 71.3(4) . 2_656 ?
O8 Eu1 N1 92.3(4) . . ?
O8 Eu1 N4 67.7(4) . . ?
O14 Eu1 Ti1 70.38(18) 2_656 . ?
O14 Eu1 Ti1 24.1(3) 2_656 2_656 ?
O14 Eu1 Ti2 24.3(3) 2_656 2_656 ?
O14 Eu1 Ti2 70.74(17) 2_656 . ?
O14 Eu1 O6 81.32(18) 2_656 . ?
O14 Eu1 O8 107.2(4) 2_656 . ?
O14 Eu1 O7 71.5(3) 2_656 2_656 ?
O14 Eu1 O2 71.9(3) 2_656 2_656 ?
O14 Eu1 O5 108.8(4) 2_656 . ?
O14 Eu1 N1 130.4(2) 2_656 . ?
O14 Eu1 N4 168.0(2) 2_656 . ?
O7 Eu1 Ti1 102.1(3) 2_656 . ?
O7 Eu1 Ti1 63.5(2) 2_656 2_656 ?
O7 Eu1 Ti2 94.1(2) 2_656 2_656 ?
O7 Eu1 Ti2 136.3(2) 2_656 . ?
O7 Eu1 N1 72.8(4) 2_656 . ?
O7 Eu1 N4 115.3(4) 2_656 . ?
O2 Eu1 Ti1 136.1(2) 2_656 . ?
O2 Eu1 Ti1 94.5(2) 2_656 2_656 ?
O2 Eu1 Ti2 102.0(3) 2_656 . ?
O2 Eu1 Ti2 63.8(2) 2_656 2_656 ?
O2 Eu1 O6 127.1(4) 2_656 . ?
O2 Eu1 O8 156.1(4) 2_656 . ?
O2 Eu1 O7 86.3(2) 2_656 2_656 ?
O2 Eu1 N1 72.6(4) 2_656 . ?
O2 Eu1 N4 117.3(4) 2_656 . ?
O5 Eu1 Ti1 125.7(2) . 2_656 ?
O5 Eu1 Ti1 99.7(3) . . ?
O5 Eu1 Ti2 84.6(2) . 2_656 ?
O5 Eu1 Ti2 59.8(3) . . ?
O5 Eu1 O6 74.6(4) . . ?
O5 Eu1 O8 128.0(2) . . ?
O5 Eu1 O7 156.7(4) . 2_656 ?
O5 Eu1 O2 72.3(4) . 2_656 ?
O5 Eu1 N1 91.8(4) . . ?
O5 Eu1 N4 69.2(4) . . ?
N1 Eu1 Ti1 135.2(2) . 2_656 ?
N1 Eu1 Ti1 151.2(3) . . ?
N1 Eu1 Ti2 135.2(2) . 2_656 ?
N1 Eu1 Ti2 150.8(3) . . ?
N1 Eu1 N4 61.4(2) . . ?
N4 Eu1 Ti1 98.1(2) . . ?
N4 Eu1 Ti1 148.2(3) . 2_656 ?
N4 Eu1 Ti2 98.98(19) . . ?
N4 Eu1 Ti2 150.6(3) . 2_656 ?
Eu1 Ti1 Eu1 106.94(6) 2_656 . ?
Ti2 Ti1 Eu1 67.42(10) . . ?
Ti2 Ti1 Eu1 67.82(9) . 2_656 ?
O1 Ti1 Eu1 115.5(3) . . ?
O1 Ti1 Eu1 112.0(3) . 2_656 ?
O1 Ti1 Ti2 82.4(3) . . ?
O6 Ti1 Eu1 31.9(2) . . ?
O6 Ti1 Eu1 102.5(2) . 2_656 ?
O6 Ti1 Ti2 41.6(3) . . ?
O6 Ti1 O1 89.6(4) . . ?
O6 Ti1 O9 168.4(4) . . ?
O6 Ti1 O3 93.1(4) . . ?
O10 Ti1 Eu1 70.7(2) . . ?
O10 Ti1 Eu1 72.4(2) . 2_656 ?
O10 Ti1 Ti2 108.1(5) . . ?
O10 Ti1 O1 169.5(5) . . ?
O10 Ti1 O6 98.8(4) . . ?
O10 Ti1 O14 97.4(4) . . ?
O10 Ti1 O9 91.5(4) . . ?
O10 Ti1 O3 91.4(4) . . ?
O14 Ti1 Eu1 99.7(3) . . ?
O14 Ti1 Eu1 30.7(2) . 2_656 ?
O14 Ti1 Ti2 40.9(3) . . ?
O14 Ti1 O1 90.0(4) . . ?
O14 Ti1 O6 81.4(4) . . ?
O14 Ti1 O9 92.1(4) . . ?
O14 Ti1 O3 170.2(4) . . ?
O9 Ti1 Eu1 159.7(3) . . ?
O9 Ti1 Eu1 75.5(3) . 2_656 ?
O9 Ti1 Ti2 129.7(3) . . ?
O9 Ti1 O1 80.8(4) . . ?
O9 Ti1 O3 92.0(4) . . ?
O3 Ti1 Eu1 79.1(3) . . ?
O3 Ti1 Eu1 158.9(3) . 2_656 ?
O3 Ti1 Ti2 131.7(3) . . ?
O3 Ti1 O1 81.8(4) . . ?
Eu1 Ti2 Eu1 107.41(6) 2_656 . ?
Ti1 Ti2 Eu1 68.53(10) . . ?
Ti1 Ti2 Eu1 67.57(9) . 2_656 ?
O4 Ti2 Eu1 158.2(3) . 2_656 ?
O4 Ti2 Eu1 79.5(3) . . ?
O4 Ti2 Ti1 133.0(3) . . ?
O4 Ti2 O12 92.1(4) . . ?
O4 Ti2 O13 82.5(4) . . ?
O6 Ti2 Eu1 103.0(2) . 2_656 ?
O6 Ti2 Eu1 32.4(2) . . ?
O6 Ti2 Ti1 42.4(3) . . ?
O6 Ti2 O4 93.7(4) . . ?
O6 Ti2 O12 168.2(4) . . ?
O6 Ti2 O13 88.6(4) . . ?
O12 Ti2 Eu1 159.4(3) . . ?
O12 Ti2 Eu1 74.2(3) . 2_656 ?
O12 Ti2 Ti1 128.3(3) . . ?
O12 Ti2 O13 82.0(4) . . ?
O14 Ti2 Eu1 30.7(2) . 2_656 ?
O14 Ti2 Eu1 100.5(3) . . ?
O14 Ti2 Ti1 40.6(3) . . ?
O14 Ti2 O4 170.6(4) . . ?
O14 Ti2 O6 81.8(4) . . ?
O14 Ti2 O12 90.9(4) . . ?
O14 Ti2 O13 89.0(4) . . ?
O11 Ti2 Eu1 71.4(2) . 2_656 ?
O11 Ti2 Eu1 70.6(2) . . ?
O11 Ti2 Ti1 107.5(4) . . ?
O11 Ti2 O4 92.4(4) . . ?
O11 Ti2 O6 98.8(4) . . ?
O11 Ti2 O12 91.2(4) . . ?
O11 Ti2 O14 96.4(4) . . ?
O11 Ti2 O13 171.3(5) . . ?
O13 Ti2 Eu1 111.5(3) . 2_656 ?
O13 Ti2 Eu1 115.1(3) . . ?
O13 Ti2 Ti1 81.0(3) . . ?
C16 O1 Ti1 126.4(9) . . ?
C1 O4 Ti2 128.6(10) . . ?
Ti1 O6 Eu1 122.9(4) . . ?
Ti2 O6 Eu1 122.6(4) . . ?
Ti2 O6 Ti1 96.0(2) . . ?
C3 O8 Eu1 141.8(10) . . ?
Ti1 O10 Ti1 143.8(9) 2_656 . ?
C12 O12 Ti2 133.9(10) . . ?
Ti1 O14 Eu1 125.1(5) . 2_656 ?
Ti1 O14 Ti2 98.5(2) . . ?
Ti2 O14 Eu1 125.0(5) . 2_656 ?
C8 O7 Eu1 135.3(10) . 2_656 ?
C12 O2 Eu1 134.8(11) . 2_656 ?
C8 O9 Ti1 132.7(9) . . ?
C1 O5 Eu1 144.6(10) . . ?
C10 N1 Eu1 124.7(6) . . ?
C28 N1 Eu1 117.9(6) . . ?
C28 N1 C10 117.4(8) . . ?
O4 C1 C13 126(2) . . ?
O4 C1 C13A 109.0(17) . . ?
O5 C1 O4 124.4(13) . . ?
O5 C1 C13 109(2) . . ?
O5 C1 C13A 126.3(16) . . ?
C6 N4 Eu1 120.7(5) . . ?
C34 N4 Eu1 120.9(6) . . ?
C34 N4 C6 118.4(7) . . ?
Ti2 O11 Ti2 145.0(8) 2_656 . ?
C3 O3 Ti1 128.5(9) . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C26 C4 H4A 109.5 . . ?
C26 C4 H4B 109.5 . . ?
C26 C4 H4C 109.5 . . ?
N4 C6 C10 116.8(7) . . ?
N4 C6 C18 120.3(8) . . ?
C18 C6 C10 122.7(8) . . ?
O7 C8 O9 125.0(13) . . ?
O7 C8 C44 121.3(12) . . ?
O9 C8 C44 113.7(13) . . ?
C16 O13 Ti2 125.6(8) . . ?
N1 C10 C6 116.4(7) . . ?
N1 C10 C22 122.0(9) . . ?
C22 C10 C6 121.7(8) . . ?
O12 C12 O2 126.0(15) . . ?
O12 C12 C32 120.8(15) . . ?
O12 C12 C32A 111(2) . . ?
O2 C12 C32 113.2(16) . . ?
O2 C12 C32A 122(2) . . ?
C16 C14 C29 104.4(8) . . ?
C16 C14 C17 108.7(14) . . ?
C16 C14 C29A 114(3) . . ?
C16 C14 C17A 116(4) . . ?
C30 C14 C16 112.2(14) . . ?
C30 C14 C29 110.8(18) . . ?
C30 C14 C17 110.4(10) . . ?
C17 C14 C29 110.2(17) . . ?
C30A C14 C16 102(3) . . ?
C30A C14 C29A 102(5) . . ?
C30A C14 C17A 108(5) . . ?
C17A C14 C29A 113(5) . . ?
O1 C16 O13 124.5(8) . . ?
O1 C16 C14 120.0(14) . . ?
O13 C16 C14 115.5(15) . . ?
C6 C18 H18 119.2 . . ?
C36 C18 C6 121.5(9) . . ?
C36 C18 H18 119.2 . . ?
C10 C22 H22 120.1 . . ?
C38 C22 C10 119.8(9) . . ?
C38 C22 H22 120.1 . . ?
C28 C24 H24 120.6 . . ?
C28 C24 C38 118.9(10) . . ?
C38 C24 H24 120.6 . . ?
C4 C26 C3 107.2(13) . . ?
C4 C26 C31 109.4(16) . . ?
C4 C26 C35 110.9(15) . . ?
C3 C26 C31 111.4(14) . . ?
C3 C26 C35 109.3(14) . . ?
C31 C26 C35 108.6(14) . . ?
N1 C28 C24 123.2(10) . . ?
N1 C28 H28 118.4 . . ?
C24 C28 H28 118.4 . . ?
C14 C30 H30A 109.5 . . ?
C14 C30 H30B 109.5 . . ?
C14 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C12 C32 C37 106.2(17) . . ?
C11 C32 C12 115(2) . . ?
C11 C32 C37 110(3) . . ?
C11 C32 C43 111(2) . . ?
C43 C32 C12 106(2) . . ?
C43 C32 C37 108(3) . . ?
N4 C34 H34 118.2 . . ?
N4 C34 C27 123.7(9) . . ?
C27 C34 H34 118.2 . . ?
C18 C36 C27 117.6(8) . . ?
C18 C36 C15 123.2(9) . . ?
C27 C36 C15 119.3(10) . . ?
C22 C38 C24 118.7(10) . . ?
C22 C38 H38 120.7 . . ?
C24 C38 H38 120.7 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C13 C40 H40A 109.5 . . ?
C13 C40 H40B 109.5 . . ?
C13 C40 H40C 109.5 . . ?
C8 C44 C23 103(2) . . ?
C8 C44 C33 107.9(16) . . ?
C8 C44 C23A 103.6(16) . . ?
C8 C44 C33A 105.8(19) . . ?
C23 C44 C33 99(2) . . ?
C21 C44 C8 110(2) . . ?
C21 C44 C23 129(3) . . ?
C21 C44 C33 105(2) . . ?
C21A C44 C8 119.5(19) . . ?
C21A C44 C23A 110(3) . . ?
C21A C44 C33A 114(3) . . ?
C33A C44 C23A 102.0(19) . . ?
C32 C11 H11A 109.5 . . ?
C32 C11 H11B 109.5 . . ?
C32 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C44 C23 H23A 109.5 . . ?
C44 C23 H23B 109.5 . . ?
C44 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O8 C3 O3 125.6(13) . . ?
O8 C3 C26 120.6(14) . . ?
O3 C3 C26 113.8(14) . . ?
C40 C13 C1 101(2) . . ?
C40 C13 C40A 108(4) . . ?
C41A C13 C1 117(3) . . ?
C41A C13 C40 111(3) . . ?
C41A C13 C40A 113(3) . . ?
C40A C13 C1 106(3) . . ?
C34 C27 C36 118.5(10) . . ?
C34 C27 C19A 126.1(10) . . ?
C36 C27 C19A 115.4(10) . . ?
C14 C29 H29A 109.5 . . ?
C14 C29 H29B 109.5 . . ?
C14 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C36 C15 H15A 109.6 . . ?
C36 C15 H15B 109.6 . . ?
C36 C15 C7A 110.1(10) . . ?
H15A C15 H15B 108.2 . . ?
C7A C15 H15A 109.6 . . ?
C7A C15 H15B 109.6 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C44 C33 H33A 109.5 . . ?
C44 C33 H33B 109.5 . . ?
C44 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C26 C35 H35A 109.5 . . ?
C26 C35 H35B 109.5 . . ?
C26 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C44 C21 H21A 109.5 . . ?
C44 C21 H21B 109.5 . . ?
C44 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C32 C43 H43A 109.5 . . ?
C32 C43 H43B 109.5 . . ?
C32 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C44 C21A H21D 109.5 . . ?
C44 C21A H21E 109.5 . . ?
C44 C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C44 C23A H23D 109.5 . . ?
C44 C23A H23E 109.5 . . ?
C44 C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C44 C33A H33D 109.5 . . ?
C44 C33A H33E 109.5 . . ?
C44 C33A H33F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
H37D C37A H37E 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 109.5 . . ?
C32A C37A H37D 109.5 . . ?
C32A C37A H37E 109.5 . . ?
C32A C37A H37F 109.5 . . ?
C12 C32A C37A 104(3) . . ?
C43A C32A C12 111(3) . . ?
C43A C32A C37A 104(4) . . ?
C11A C32A C12 112(3) . . ?
C11A C32A C37A 113(4) . . ?
C11A C32A C43A 113(3) . . ?
C32A C43A H43D 109.5 . . ?
C32A C43A H43E 109.5 . . ?
C32A C43A H43F 109.5 . . ?
H43D C43A H43E 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C32A C11A H11D 109.5 . . ?
C32A C11A H11E 109.5 . . ?
C32A C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C13 C41A H41A 109.5 . . ?
C13 C41A H41B 109.5 . . ?
C13 C41A H41C 109.5 . . ?
H41A C41A H41B 109.5 . . ?
H41A C41A H41C 109.5 . . ?
H41B C41A H41C 109.5 . . ?
C13 C40A H40D 109.5 . . ?
C13 C40A H40E 109.5 . . ?
C13 C40A H40F 109.5 . . ?
H40D C40A H40E 109.5 . . ?
H40D C40A H40F 109.5 . . ?
H40E C40A H40F 109.5 . . ?
C14 C30A H30D 109.5 . . ?
C14 C30A H30E 109.5 . . ?
C14 C30A H30F 109.5 . . ?
H30D C30A H30E 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
C14 C29A H29D 109.5 . . ?
C14 C29A H29E 109.5 . . ?
C14 C29A H29F 109.5 . . ?
H29D C29A H29E 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?
C14 C17A H17D 109.5 . . ?
C14 C17A H17E 109.5 . . ?
C14 C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C42 C13A C1 109.4(16) . . ?
C42 C13A C40B 110(2) . . ?
C41B C13A C1 107.2(19) . . ?
C41B C13A C42 111(2) . . ?
C41B C13A C40B 113(2) . . ?
C40B C13A C1 106.3(16) . . ?
C13A C42 H42A 109.5 . . ?
C13A C42 H42B 109.5 . . ?
C13A C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C13A C41B H41D 109.5 . . ?
C13A C41B H41E 109.5 . . ?
C13A C41B H41F 109.5 . . ?
H41D C41B H41E 109.5 . . ?
H41D C41B H41F 109.5 . . ?
H41E C41B H41F 109.5 . . ?
C13A C40B H40G 109.5 . . ?
C13A C40B H40H 109.5 . . ?
C13A C40B H40I 109.5 . . ?
H40G C40B H40H 109.5 . . ?
H40G C40B H40I 109.5 . . ?
H40H C40B H40I 109.5 . . ?
H20A C20A H20B 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
C25A C20A H20A 109.5 . . ?
C25A C20A H20B 109.5 . . ?
C25A C20A H20C 109.5 . . ?
C20A C25A C7A 115.3(16) . . ?
C20A C25A C19A 120.5(13) . . ?
C20A C25A C39A 109.6(16) . . ?
C19A C25A C7A 86.3(11) . . ?
C39A C25A C7A 111.1(13) . . ?
C39A C25A C19A 112.3(13) . . ?
C15 C7A C25A 111.7(11) . . ?
C15 C7A H7A 115.6 . . ?
C15 C7A C9A 108.4(12) . . ?
C25A C7A H7A 115.6 . . ?
C25A C7A C9A 86.4(11) . . ?
C9A C7A H7A 115.6 . . ?
C7A C9A H9AA 114.3 . . ?
C7A C9A H9AB 114.3 . . ?
H9AA C9A H9AB 111.4 . . ?
C19A C9A C7A 86.1(12) . . ?
C19A C9A H9AA 114.3 . . ?
C19A C9A H9AB 114.3 . . ?
C27 C19A C25A 110.4(11) . . ?
C27 C19A C9A 106.6(12) . . ?
C27 C19A H19A 116.1 . . ?
C25A C19A H19A 116.1 . . ?
C9A C19A C25A 87.8(11) . . ?
C9A C19A H19A 116.1 . . ?
C25A C39A H39A 109.5 . . ?
C25A C39A H39B 109.5 . . ?
C25A C39A H39C 109.5 . . ?
H39A C39A H39B 109.5 . . ?
H39A C39A H39C 109.5 . . ?
H39B C39A H39C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 Ti1 O10 Ti1 58.18(12) 2_656 . . 2_656 ?
Eu1 Ti1 O10 Ti1 -57.61(13) . . . 2_656 ?
Eu1 Ti1 O14 Eu1 106.9(4) . . . 2_656 ?
Eu1 Ti1 O14 Ti2 -37.6(2) . . . . ?
Eu1 Ti1 O14 Ti2 -144.6(5) 2_656 . . . ?
Eu1 Ti2 O6 Eu1 102.2(3) 2_656 . . . ?
Eu1 Ti2 O6 Ti1 -135.7(4) . . . . ?
Eu1 Ti2 O6 Ti1 -33.6(2) 2_656 . . . ?
Eu1 Ti2 O14 Eu1 -106.6(4) . . . 2_656 ?
Eu1 Ti2 O14 Ti1 144.6(5) 2_656 . . . ?
Eu1 Ti2 O14 Ti1 38.1(2) . . . . ?
Eu1 Ti2 O11 Ti2 -58.59(12) 2_656 . . 2_656 ?
Eu1 Ti2 O11 Ti2 58.35(13) . . . 2_656 ?
Eu1 O8 C3 O3 35(2) . . . . ?
Eu1 O8 C3 C26 -147.8(12) . . . . ?
Eu1 O7 C8 O9 23(2) 2_656 . . . ?
Eu1 O7 C8 C44 -159.5(11) 2_656 . . . ?
Eu1 O2 C12 O12 -13(3) 2_656 . . . ?
Eu1 O2 C12 C32 169.0(16) 2_656 . . . ?
Eu1 O2 C12 C32A 159(2) 2_656 . . . ?
Eu1 O5 C1 O4 -27(3) . . . . ?
Eu1 O5 C1 C13 160.0(18) . . . . ?
Eu1 O5 C1 C13A 145.6(14) . . . . ?
Eu1 N1 C10 C6 0(2) . . . . ?
Eu1 N1 C10 C22 179.4(14) . . . . ?
Eu1 N1 C28 C24 -179(2) . . . . ?
Eu1 N4 C6 C10 -2(2) . . . . ?
Eu1 N4 C6 C18 -177.8(13) . . . . ?
Eu1 N4 C34 C27 176.3(11) . . . . ?
Ti1 Ti2 O6 Eu1 135.7(4) . . . . ?
Ti1 Ti2 O14 Eu1 -144.6(5) . . . 2_656 ?
Ti1 Ti2 O11 Ti2 -0.48(10) . . . 2_656 ?
Ti1 O1 C16 O13 -3.9(15) . . . . ?
Ti1 O1 C16 C14 173.4(8) . . . . ?
Ti1 O9 C8 O7 14(2) . . . . ?
Ti1 O9 C8 C44 -164.3(10) . . . . ?
Ti1 O3 C3 O8 -11(2) . . . . ?
Ti1 O3 C3 C26 170.8(10) . . . . ?
Ti2 Ti1 O10 Ti1 -0.48(10) . . . 2_656 ?
Ti2 Ti1 O14 Eu1 144.6(5) . . . 2_656 ?
Ti2 O4 C1 O5 8(2) . . . . ?
Ti2 O4 C1 C13 179(2) . . . . ?
Ti2 O4 C1 C13A -166.5(10) . . . . ?
Ti2 O12 C12 O2 -22(3) . . . . ?
Ti2 O12 C12 C32 155.9(18) . . . . ?
Ti2 O12 C12 C32A 165(2) . . . . ?
Ti2 O13 C16 O1 4.2(14) . . . . ?
Ti2 O13 C16 C14 -173.3(7) . . . . ?
O1 Ti1 O10 Ti1 175(2) . . . 2_656 ?
O1 Ti1 O14 Eu1 -137.2(5) . . . 2_656 ?
O1 Ti1 O14 Ti2 78.3(4) . . . . ?
O4 Ti2 O6 Eu1 -63.7(5) . . . . ?
O4 Ti2 O6 Ti1 160.6(4) . . . . ?
O4 Ti2 O11 Ti2 136.3(3) . . . 2_656 ?
O4 C1 C13 C40 92(3) . . . . ?
O4 C1 C13 C41A -147(3) . . . . ?
O4 C1 C13 C40A -20(4) . . . . ?
O4 C1 C13A C42 51(2) . . . . ?
O4 C1 C13A C41B 170.9(18) . . . . ?
O4 C1 C13A C40B -68(2) . . . . ?
O6 Ti1 O10 Ti1 -42.3(3) . . . 2_656 ?
O6 Ti1 O14 Eu1 133.2(4) . . . 2_656 ?
O6 Ti1 O14 Ti2 -11.3(2) . . . . ?
O6 Ti2 O14 Eu1 -133.2(4) . . . 2_656 ?
O6 Ti2 O14 Ti1 11.5(2) . . . . ?
O6 Ti2 O11 Ti2 42.2(3) . . . 2_656 ?
O10 Ti1 O14 Eu1 35.4(5) . . . 2_656 ?
O10 Ti1 O14 Ti2 -109.1(4) . . . . ?
O12 Ti2 O6 Eu1 177.0(17) . . . . ?
O12 Ti2 O6 Ti1 41.3(19) . . . . ?
O12 Ti2 O14 Eu1 56.2(5) . . . 2_656 ?
O12 Ti2 O14 Ti1 -159.2(4) . . . . ?
O12 Ti2 O11 Ti2 -131.5(3) . . . 2_656 ?
O12 C12 C32 C11 -131(2) . . . . ?
O12 C12 C32 C37 -9(4) . . . . ?
O12 C12 C32 C43 106(2) . . . . ?
O12 C12 C32A C37A -67(4) . . . . ?
O12 C12 C32A C43A 45(3) . . . . ?
O12 C12 C32A C11A 171(3) . . . . ?
O14 Ti1 O10 Ti1 40.1(3) . . . 2_656 ?
O14 Ti2 O6 Eu1 124.7(4) . . . . ?
O14 Ti2 O6 Ti1 -11.1(2) . . . . ?
O14 Ti2 O11 Ti2 -40.5(3) . . . 2_656 ?
O7 C8 C44 C23 42(3) . . . . ?
O7 C8 C44 C33 146.7(18) . . . . ?
O7 C8 C44 C21 -99(2) . . . . ?
O7 C8 C44 C21A -168(3) . . . . ?
O7 C8 C44 C23A -45(2) . . . . ?
O7 C8 C44 C33A 62(2) . . . . ?
O2 C12 C32 C11 47(3) . . . . ?
O2 C12 C32 C37 169(2) . . . . ?
O2 C12 C32 C43 -76(2) . . . . ?
O2 C12 C32A C37A 120(3) . . . . ?
O2 C12 C32A C43A -129(3) . . . . ?
O2 C12 C32A C11A -2(4) . . . . ?
O9 Ti1 O10 Ti1 132.4(3) . . . 2_656 ?
O9 Ti1 O14 Eu1 -56.4(5) . . . 2_656 ?
O9 Ti1 O14 Ti2 159.1(4) . . . . ?
O9 C8 C44 C23 -140(2) . . . . ?
O9 C8 C44 C33 -35(2) . . . . ?
O9 C8 C44 C21 79(3) . . . . ?
O9 C8 C44 C21A 10(4) . . . . ?
O9 C8 C44 C23A 133.0(17) . . . . ?
O9 C8 C44 C33A -120.0(17) . . . . ?
O5 C1 C13 C40 -96(3) . . . . ?
O5 C1 C13 C41A 25(3) . . . . ?
O5 C1 C13 C40A 152(3) . . . . ?
O5 C1 C13A C42 -123(2) . . . . ?
O5 C1 C13A C41B -3(3) . . . . ?
O5 C1 C13A C40B 119(2) . . . . ?
N1 C10 C22 C38 -1(3) . . . . ?
N4 C6 C10 N1 1(3) . . . . ?
N4 C6 C10 C22 -177.8(16) . . . . ?
N4 C6 C18 C36 1(3) . . . . ?
N4 C34 C27 C36 1(2) . . . . ?
N4 C34 C27 C19A -175.5(15) . . . . ?
O11 Ti2 O6 Eu1 29.4(5) . . . . ?
O11 Ti2 O6 Ti1 -106.4(4) . . . . ?
O11 Ti2 O14 Eu1 -35.1(5) . . . 2_656 ?
O11 Ti2 O14 Ti1 109.5(4) . . . . ?
O3 Ti1 O10 Ti1 -135.6(3) . . . 2_656 ?
C4 C26 C3 O8 -106.5(17) . . . . ?
C4 C26 C3 O3 71.4(18) . . . . ?
C6 N4 C34 C27 -1(3) . . . . ?
C6 C10 C22 C38 178(2) . . . . ?
C6 C18 C36 C27 -2(2) . . . . ?
C6 C18 C36 C15 179.5(15) . . . . ?
O13 Ti2 O6 Eu1 -146.1(4) . . . . ?
O13 Ti2 O6 Ti1 78.2(4) . . . . ?
O13 Ti2 O14 Eu1 138.1(5) . . . 2_656 ?
O13 Ti2 O14 Ti1 -77.3(4) . . . . ?
C10 N1 C28 C24 0(3) . . . . ?
C10 C6 C18 C36 -173.7(17) . . . . ?
C10 C22 C38 C24 0(3) . . . . ?
C18 C6 C10 N1 176.6(17) . . . . ?
C18 C6 C10 C22 -2(3) . . . . ?
C18 C36 C27 C34 0.2(18) . . . . ?
C18 C36 C27 C19A 177.3(13) . . . . ?
C18 C36 C15 C7A -177.3(13) . . . . ?
C28 N1 C10 C6 -178(2) . . . . ?
C28 N1 C10 C22 1(3) . . . . ?
C28 C24 C38 C22 0(4) . . . . ?
C30 C14 C16 O1 148.1(14) . . . . ?
C30 C14 C16 O13 -34.4(16) . . . . ?
C34 N4 C6 C10 175.5(16) . . . . ?
C34 N4 C6 C18 0(3) . . . . ?
C34 C27 C19A C25A -134.9(14) . . . . ?
C34 C27 C19A C9A 131.2(14) . . . . ?
C36 C27 C19A C25A 48.2(15) . . . . ?
C36 C27 C19A C9A -45.7(14) . . . . ?
C36 C15 C7A C25A -48.7(14) . . . . ?
C36 C15 C7A C9A 44.8(15) . . . . ?
C38 C24 C28 N1 0(4) . . . . ?
C27 C36 C15 C7A 3.8(16) . . . . ?
C29 C14 C16 O1 -91.8(19) . . . . ?
C29 C14 C16 O13 85.7(18) . . . . ?
C15 C36 C27 C34 179.2(12) . . . . ?
C15 C36 C27 C19A -3.6(15) . . . . ?
C15 C7A C9A C19A -84.6(13) . . . . ?
C31 C26 C3 O8 13(2) . . . . ?
C31 C26 C3 O3 -169.0(15) . . . . ?
C17 C14 C16 O1 25.7(16) . . . . ?
C17 C14 C16 O13 -156.7(13) . . . . ?
C35 C26 C3 O8 133.2(15) . . . . ?
C35 C26 C3 O3 -48.9(18) . . . . ?
C30A C14 C16 O1 86(4) . . . . ?
C30A C14 C16 O13 -97(4) . . . . ?
C29A C14 C16 O1 -166(4) . . . . ?
C29A C14 C16 O13 12(4) . . . . ?
C17A C14 C16 O1 -31(4) . . . . ?
C17A C14 C16 O13 146(4) . . . . ?
C20A C25A C7A C15 -40.7(17) . . . . ?
C20A C25A C7A C9A -149.2(11) . . . . ?
C20A C25A C19A C27 38(2) . . . . ?
C20A C25A C19A C9A 144.8(16) . . . . ?
C25A C7A C9A C19A 27.1(11) . . . . ?
C7A C25A C19A C27 -79.4(12) . . . . ?
C7A C25A C19A C9A 27.5(11) . . . . ?
C7A C9A C19A C27 83.2(12) . . . . ?
C7A C9A C19A C25A -27.4(11) . . . . ?
C19A C25A C7A C15 81.4(12) . . . . ?
C19A C25A C7A C9A -27.1(10) . . . . ?
C39A C25A C7A C15 -166.1(13) . . . . ?
C39A C25A C7A C9A 85.5(14) . . . . ?
C39A C25A C19A C27 169.3(13) . . . . ?
C39A C25A C19A C9A -83.7(15) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 78 electrons were 
found in a volume of 332Å³ in 1 void per unit cell. 
This is consistent with the presence of 
3[C2H3N], 1[H2O] per Unit Cell 
which account for 76 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.065 0.500 166 39 '1.5 MeCN,0.5 H2O'
2 1.000 0.565 0.500 166 39 '1.5 MeCN,0.5 H2O'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.413
_oxdiff_exptl_absorpt_empirical_full_min 0.709
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.915(13)
2 0.085(13)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2214393'
loop_
_audit_author_name
_audit_author_address
'Xiang-Jian kong'
;Xiamen University
China
;
_audit_update_record             
;
2022-11-29 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H126 Eu2 N4 O26 Ti4'
_chemical_formula_sum            'C84 H126 Eu2 N4 O26 Ti4'
_chemical_formula_weight         2103.40
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         C82Eu2N4O26Ti4
_chemical_oxdiff_usercomment     lwd-PA-(-)-Eu2Ti4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2191 1.8069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   26.861(3)
_cell_length_b                   15.6451(9)
_cell_length_c                   14.6838(17)
_cell_angle_alpha                90
_cell_angle_beta                 125.433(15)
_cell_angle_gamma                90
_cell_volume                     5027.9(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11656
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      74.0990
_cell_measurement_theta_min      3.4730
_shelx_estimated_absorpt_T_max   0.587
_shelx_estimated_absorpt_T_min   0.382
_exptl_absorpt_coefficient_mu    11.927
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_unetI/netI     0.0522
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            37152
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.900
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.003
_diffrn_reflns_theta_min         3.473
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     18.00  44.00   0.50    0.20    --   42.11  77.00   0.00   52
  2  ω     21.00 114.00   0.50    0.20    --   42.11  57.00 -30.00  186
  3  ω     67.00 111.00   0.50    0.20    --   42.11  57.00  30.00   88
  4  ω     16.00  52.00   0.50    0.20    --   42.11  77.00  60.00   72
  5  ω     24.00  49.00   0.50    0.20    --   42.11  57.00  90.00   50
  6  ω     26.00  62.00   0.50    0.20    --   42.11  57.00  30.00   72
  7  ω     12.00  85.00   0.50    0.20    --   42.11  21.00 -78.00  146
  8  ω     20.00  73.00   0.50    0.20    --   42.11  38.00 -60.00  106
  9  ω     78.00 112.00   0.50    0.20    --   42.11  38.00 -60.00   68
 10  ω      2.00  39.00   0.50    0.20    --  -42.11  19.00 -30.00   74
 11  ω    -49.00 -24.00   0.50    0.50    --  -99.00  45.00  60.00   50
 12  ω    -60.00 -25.00   0.50    0.50    --  -99.00  61.00  60.00   70
 13  ω    -49.00 -24.00   0.50    0.50    --  -99.00  45.00  30.00   50
 14  ω    -49.00 -24.00   0.50    0.50    --  -99.00  45.00   0.00   50
 15  ω    -18.00   7.00   0.50    0.20    --  -42.11  21.00 -78.00   50
 16  ω    119.00 153.00   0.50    0.50    --  108.55  21.00 -78.00   68
 17  ω    146.00 178.00   0.50    0.50    --  108.55  77.00 -30.00   64
 18  ω    115.00 141.00   0.50    0.50    --  108.55  77.00 -30.00   52
 19  ω     80.00 107.00   0.50    0.50    --  108.55  77.00 -30.00   54
 20  ω     80.00 116.00   0.50    0.50    --  108.55  21.00 -78.00   72
 21  ω     56.00 106.00   0.50    0.50    --  108.55 -77.00 -60.00  100
 22  ω     36.00  65.00   0.50    0.50    --  108.55 -61.00-150.00   58
 23  ω     38.00  71.00   0.50    0.50    --  108.55 -61.00 -90.00   66
 24  ω     34.00  84.00   0.50    0.50    --  108.55 -77.00 -30.00  100
 25  ω     35.00  60.00   0.50    0.50    --  108.55 -61.00 -30.00   50
 26  ω    -27.00  30.00   0.50    0.20    --   42.11 -21.00 114.00  114
 27  ω     37.00  73.00   0.50    0.50    --  108.55 -61.00 150.00   72
 28  ω     19.00  94.00   0.50    0.20    --   42.11-125.00  30.00  150
 29  ω     70.00  96.00   0.50    0.50    --  108.55-125.00  60.00   52
 30  ω     41.00  66.00   0.50    0.50    --  108.55-125.00  60.00   50
 31  ω     39.00  91.00   0.50    0.50    --  108.55-125.00 -60.00  104
 32  ω   -111.00 -41.00   0.50    0.50    --  -99.00 125.00  30.00  140
 33  ω    -96.00 -70.00   0.50    0.50    --  -99.00 -77.00  60.00   52
 34  ω   -111.00 -70.00   0.50    0.50    --  -99.00 -77.00  30.00   82
 35  ω    -95.00 -70.00   0.50    0.50    --  -99.00 -77.00   0.00   50
 36  ω    -96.00 -70.00   0.50    0.50    --  -99.00 -77.00 -30.00   52
 37  ω   -169.00-127.00   0.50    0.50    --  -99.00 -77.00  30.00   84
 38  ω   -159.00-133.00   0.50    0.50    --  -99.00 -77.00 -30.00   52
 39  ω   -172.00-104.00   0.50    0.50    --  -99.00 -76.00  20.59  136
 40  ω    -95.00 -70.00   0.50    0.50    --  -99.00 -76.00  20.59   50
 41  ω    -97.00 -72.00   0.50    0.50    --  -99.00 -73.00 -18.50   50
 42  ω    -95.00 -70.00   0.50    0.50    --  -99.00 -77.00  43.49   50
 43  ω    -96.00 -71.00   0.50    0.50    --  -99.00 -75.00  62.84   50
 44  ω    -95.00 -70.00   0.50    0.50    --  -99.00 -77.00  90.00   50
 45  ω   -100.00 -74.00   0.50    0.50    --  -99.00 -68.00  64.12   52
 46  ω   -116.00 -72.00   0.50    0.50    --  -99.00 -72.00  42.73   88
 47  ω   -163.00-137.00   0.50    0.50    --  -99.00 -77.00  90.00   52
 48  ω   -172.00-125.00   0.50    0.50    --  -99.00 -73.00 -18.50   94
 49  ω    -99.00 -74.00   0.50    0.50    --  -99.00 -66.00 -21.30   50
 50  ω   -102.00 -77.00   0.50    0.50    --  -99.00 -62.00 -10.38   50
 51  ω   -103.00 -76.00   0.50    0.50    --  -99.00 -61.00 -30.00   54
 52  ω   -108.00 -75.00   0.50    0.50    --  -99.00 -61.00 -44.57   66
 53  ω   -100.00 -75.00   0.50    0.50    --  -99.00 -61.00 -60.00   50
 54  ω   -173.00-115.00   0.50    0.50    --  -99.00 -61.00 -44.57  116
 55  ω   -162.00-136.00   0.50    0.50    --  -99.00 -61.00 -60.00   52
 56  ω   -104.00 -78.00   0.50    0.50    --  -99.00 -57.00  -9.89   52
 57  ω   -100.00 -75.00   0.50    0.50    --  -99.00 -61.00  30.00   50
 58  ω   -172.00 -75.00   0.50    0.50    --  -99.00 -61.00  60.00  194
 59  ω   -173.00 -75.00   0.50    0.50    --  -99.00 -61.00  90.00  196
 60  ω   -101.00 -76.00   0.50    0.50    --  -99.00 -57.00  71.68   50
 61  ω   -124.00 -77.00   0.50    0.50    --  -99.00 -46.00  14.50   94
 62  ω   -101.00 -76.00   0.50    0.50    --  -99.00 -57.00 -15.63   50
 63  ω   -147.00 -78.00   0.50    0.50    --  -99.00 -52.00 -20.20  138
 64  ω   -172.00-146.00   0.50    0.50    --  -99.00 -57.00  -9.89   52
 65  ω   -151.00 -77.00   0.50    0.50    --  -99.00 -45.00  60.00  148
 66  ω   -102.00 -77.00   0.50    0.50    --  -99.00 -56.00   6.05   50
 67  ω    -92.00 -67.00   0.50    0.20    --  -42.11 -21.00 114.00   50
 68  ω   -124.00 -99.00   0.50    0.50    --  -99.00 -21.00 114.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0049242000
_diffrn_orient_matrix_UB_12      -0.0246811000
_diffrn_orient_matrix_UB_13      0.0959663000
_diffrn_orient_matrix_UB_21      -0.0698612000
_diffrn_orient_matrix_UB_22      -0.0079839000
_diffrn_orient_matrix_UB_23      -0.0839977000
_diffrn_orient_matrix_UB_31      0.0072424000
_diffrn_orient_matrix_UB_32      -0.0949501000
_diffrn_orient_matrix_UB_33      -0.0182604000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.820
_reflns_Friedel_fraction_full    0.925
_reflns_Friedel_fraction_max     0.843
_reflns_number_gt                7098
_reflns_number_total             9428
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.187
_refine_diff_density_min         -1.947
_refine_diff_density_rms         0.086
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.069(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     696
_refine_ls_number_reflns         9428
_refine_ls_number_restraints     657
_refine_ls_R_factor_all          0.0884
_refine_ls_R_factor_gt           0.0687
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1296P)²+2.2112P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1871
_refine_ls_wR_factor_ref         0.2042
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.931(12)
 0.069(12)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C13A-C15A
 2.51 with sigma of 0.04
 C15A-C34A
 2.51 with sigma of 0.04
 C34A-C13A
 2.51 with sigma of 0.04
 C41A-C35A
 2.51 with sigma of 0.04
 C35A-C22A
 2.51 with sigma of 0.04
 C22A-C41A
 2.51 with sigma of 0.04
 C1-C24 \\sim C1-C24A
 with sigma of 0.02
 C26-C13A \\sim C26-C15A \\sim C34A-C26
 with sigma of 0.01
 C24-C44 \\sim C24A-C44A
 with sigma of 0.02
 C36-C23 \\sim C36-C23A
 with sigma of 0.02
 C24-C39 \\sim C24A-C39A
 with sigma of 0.02
 C24-C45 \\sim C24A-C45A
 with sigma of 0.02
 C36-C29 \\sim C36-C29A
 with sigma of 0.04
 C23-C37 \\sim C23A-C37A
 with sigma of 0.02
 C1-C39 \\sim C1-C39A
 with sigma of 0.04
 C1-C45 \\sim C1-C45A
 with sigma of 0.04
 C36-C43 \\sim C36-C43A
 with sigma of 0.04
 C29-C37 \\sim C29A-C37A
 with sigma of 0.04
 C44-C39 \\sim C44A-C39A
 with sigma of 0.04
 C44-C45 \\sim C44A-C45A
 with sigma of 0.04
 C1-C44 \\sim C1-C44A
 with sigma of 0.04
 C39-C45 \\sim C39A-C45A
 with sigma of 0.04
 C23-C29 \\sim C23A-C29A
 with sigma of 0.02
 C23-C43 \\sim C23A-C43A
 with sigma of 0.02
 C36-C37 \\sim C36-C37A
 with sigma of 0.04
 C29-C43 \\sim C29A-C43A
 with sigma of 0.04
 C37-C43 \\sim C37A-C43A
 with sigma of 0.04
 C41A-C32 \\sim C35A-C32 \\sim C32-C22A
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
5. Others
 Sof(C24A)=Sof(C45A)=Sof(H45D)=Sof(H45E)=Sof(H45F)=Sof(C39A)=Sof(H39D)=
 Sof(H39E)=Sof(H39F)=Sof(C44A)=Sof(H44D)=Sof(H44E)=Sof(H44F)=1-FVAR(1)
 Sof(C24)=Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(H44C)=Sof(C39)=Sof(H39A)=Sof(H39B)=
 Sof(H39C)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=FVAR(1)
 Sof(C13A)=Sof(H13D)=Sof(H13E)=Sof(H13F)=Sof(C15A)=Sof(H15D)=Sof(H15E)=
 Sof(H15F)=Sof(C34A)=Sof(H34D)=Sof(H34E)=Sof(H34F)=1-FVAR(2)
 Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C13)=Sof(H13A)=Sof(H13B)=Sof(H13C)=
 Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=FVAR(2)
 Sof(C35A)=Sof(H35D)=Sof(H35E)=Sof(H35F)=Sof(C41A)=Sof(H41D)=Sof(H41E)=
 Sof(H41F)=Sof(C22A)=Sof(H22D)=Sof(H22E)=Sof(H22F)=1-FVAR(3)
 Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=
 Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=FVAR(3)
 Sof(C43A)=Sof(H43D)=Sof(H43E)=Sof(H43F)=Sof(C23A)=Sof(C37A)=Sof(H37D)=
 Sof(H37E)=Sof(H37F)=Sof(C29A)=Sof(H29D)=Sof(H29E)=Sof(H29F)=1-FVAR(4)
 Sof(C23)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C37)=Sof(H37A)=Sof(H37B)=
 Sof(H37C)=Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=FVAR(4)
6.a Ternary CH refined with riding coordinates:
 C7(H7), C19(H19)
6.b Secondary CH2 refined with riding coordinates:
 C28(H28A,H28B), C3(H3A,H3B)
6.c Me refined with riding coordinates:
 C34(H34A,H34B,H34C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C13A(H13D,H13E,
 H13F), C15A(H15D,H15E,H15F), C34A(H34D,H34E,H34F)
6.d Aromatic/amide H refined with riding coordinates:
 C12(H12), C14(H14), C18(H18), C20(H20), C30(H30), C38(H38)
6.e Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C22(H22A,H22B,H22C), C44(H44A,H44B,H44C), C25(H25A,H25B,
 H25C), C29(H29A,H29B,H29C), C9(H9A,H9B,H9C), C33(H33A,H33B,H33C), C17(H17A,
 H17B,H17C), C35(H35A,H35B,H35C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C),
 C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C45(H45A,H45B,H45C), C45A(H45D,H45E,
 H45F), C39A(H39D,H39E,H39F), C44A(H44D,H44E,H44F), C35A(H35D,H35E,H35F),
 C41A(H41D,H41E,H41F), C22A(H22D,H22E,H22F), C43A(H43D,H43E,H43F), C37A(H37D,
 H37E,H37F), C29A(H29D,H29E,H29F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.38138(2) 0.69534(11) 0.26940(5) 0.0612(2) Uani 1 1 d . . . . .
Ti1 Ti 0.46125(13) 0.60248(14) 0.5608(3) 0.0566(7) Uani 1 1 d . U . . .
Ti2 Ti 0.46046(13) 0.78391(14) 0.5602(3) 0.0536(7) Uani 1 1 d . U . . .
O1 O 0.4150(5) 0.7644(8) 0.6361(11) 0.071(3) Uani 1 1 d . U . . .
O4 O 0.5958(5) 0.7986(9) 0.8207(10) 0.082(3) Uani 1 1 d . U . . .
O6 O 0.3522(5) 0.8296(8) 0.2965(11) 0.074(3) Uani 1 1 d . U . . .
O8 O 0.3934(5) 0.8719(7) 0.4709(10) 0.070(3) Uani 1 1 d . U . . .
O10 O 0.500000 0.5640(10) 0.500000 0.072(4) Uani 1 2 d S TU P . .
O12 O 0.4142(3) 0.6923(8) 0.4598(6) 0.0611(15) Uani 1 1 d . U . . .
O14 O 0.5106(5) 0.5207(7) 0.6916(10) 0.073(3) Uani 1 1 d . U . . .
O7 O 0.5139(3) 0.6937(8) 0.6452(6) 0.0586(14) Uani 1 1 d . U . . .
C1 C 0.3533(8) 0.8749(12) 0.3649(17) 0.075(4) Uani 1 1 d D U . . .
O2 O 0.3934(5) 0.5172(7) 0.4723(10) 0.073(3) Uani 1 1 d . U . . .
C4 C 0.3326(10) 0.3586(12) 0.348(2) 0.102(6) Uani 1 1 d . U . . .
H4A H 0.360457 0.347922 0.428821 0.153 Uiso 1 1 calc R U . . .
H4B H 0.355469 0.357141 0.315243 0.153 Uiso 1 1 calc R U . . .
H4C H 0.300785 0.314518 0.313569 0.153 Uiso 1 1 calc R U . . .
O9 O 0.5100(5) 0.8647(7) 0.6908(9) 0.068(3) Uani 1 1 d . U . . .
N1 N 0.2673(3) 0.6920(11) 0.2120(7) 0.0620(19) Uani 1 1 d . U . . .
O5 O 0.4168(5) 0.6214(7) 0.6386(10) 0.068(3) Uani 1 1 d . U . . .
N3 N 0.2922(4) 0.6938(12) 0.0583(8) 0.069(2) Uani 1 1 d . U . . .
O11 O 0.3542(5) 0.5551(8) 0.2967(11) 0.073(3) Uani 1 1 d . U . . .
O3 O 0.500000 0.8165(10) 0.500000 0.067(3) Uani 1 2 d S TU P . .
C6 C 0.5568(8) 0.8588(12) 0.7865(16) 0.075(4) Uani 1 1 d . U . . .
C8 C 0.2195(4) 0.6931(13) 0.1021(9) 0.066(2) Uani 1 1 d . U . . .
C10 C 0.2329(5) 0.6920(14) 0.0194(9) 0.066(2) Uani 1 1 d . U . . .
O13 O 0.5964(5) 0.5888(8) 0.8242(11) 0.081(3) Uani 1 1 d . U . . .
C12 C 0.1593(5) 0.6904(14) 0.0718(10) 0.071(3) Uani 1 1 d . U . . .
H12 H 0.126094 0.695325 -0.004763 0.085 Uiso 1 1 calc R U . . .
C14 C 0.1868(5) 0.6928(14) -0.0952(10) 0.075(3) Uani 1 1 d . U . . .
H14 H 0.145083 0.692900 -0.121517 0.090 Uiso 1 1 calc R U . . .
C16 C 0.4050(5) 0.6921(16) 0.6615(10) 0.070(2) Uani 1 1 d . U . . .
C18 C 0.2636(6) 0.6936(18) -0.1295(11) 0.086(3) Uani 1 1 d . U . . .
H18 H 0.275446 0.693621 -0.179207 0.103 Uiso 1 1 calc R U . . .
C20 C 0.3061(6) 0.6939(17) -0.0166(11) 0.083(3) Uani 1 1 d . U . . .
H20 H 0.348033 0.694156 0.011050 0.100 Uiso 1 1 calc R U . . .
C22 C 0.5832(13) 0.879(2) 0.982(2) 0.096(7) Uani 0.73(2) 1 d . U P A 1
H22A H 0.550867 0.838050 0.962281 0.144 Uiso 0.73(2) 1 calc R U P A 1
H22B H 0.586954 0.920873 1.035160 0.144 Uiso 0.73(2) 1 calc R U P A 1
H22C H 0.622018 0.848780 1.015369 0.144 Uiso 0.73(2) 1 calc R U P A 1
C24 C 0.3036(10) 0.9425(16) 0.347(2) 0.075(5) Uani 0.69(2) 1 d D U P B 1
C26 C 0.3771(5) 0.6929(14) 0.7277(10) 0.074(2) Uani 1 1 d D U . . .
C28 C 0.1368(9) 0.5865(14) 0.304(2) 0.095(4) Uani 1 1 d . U . . .
H28A H 0.132285 0.560445 0.360024 0.114 Uiso 1 1 calc R U . . .
H28B H 0.142257 0.542476 0.261724 0.114 Uiso 1 1 calc R U . . .
C30 C 0.2563(5) 0.6854(13) 0.2887(10) 0.070(3) Uani 1 1 d . U . . .
H30 H 0.290115 0.687010 0.365080 0.084 Uiso 1 1 calc R U . . .
C32 C 0.5661(9) 0.9283(14) 0.8695(18) 0.098(5) Uani 1 1 d D U . . .
C34 C 0.3415(11) 0.6097(16) 0.708(2) 0.090(6) Uani 0.841(16) 1 d . U P C 1
H34A H 0.368638 0.560600 0.727496 0.135 Uiso 0.841(16) 1 calc R U P C 1
H34B H 0.326009 0.609629 0.753785 0.135 Uiso 0.841(16) 1 calc R U P C 1
H34C H 0.307087 0.605863 0.628519 0.135 Uiso 0.841(16) 1 calc R U P C 1
C36 C 0.5589(8) 0.5287(11) 0.7909(16) 0.075(4) Uani 1 1 d D U . . .
C38 C 0.2022(6) 0.6934(17) -0.1697(11) 0.083(3) Uani 1 1 d . U . . .
H38 H 0.171280 0.693609 -0.247832 0.100 Uiso 1 1 calc R U . . .
C40 C 0.1476(5) 0.6807(11) 0.1506(11) 0.072(3) Uani 1 1 d . U . . .
C42 C 0.3031(8) 0.4460(12) 0.3285(18) 0.084(4) Uani 1 1 d . U . . .
C44 C 0.2544(13) 0.936(2) 0.225(2) 0.101(8) Uani 0.69(2) 1 d D U P B 1
H44A H 0.271322 0.947945 0.182905 0.151 Uiso 0.69(2) 1 calc R U P B 1
H44B H 0.222275 0.977611 0.205285 0.151 Uiso 0.69(2) 1 calc R U P B 1
H44C H 0.237183 0.878216 0.208094 0.151 Uiso 0.69(2) 1 calc R U P B 1
C11 C 0.1983(5) 0.6764(10) 0.2637(11) 0.072(3) Uani 1 1 d . U . . .
C23 C 0.5735(19) 0.467(2) 0.882(3) 0.084(7) Uani 0.48(2) 1 d D U P D 1
C3 C 0.0838(6) 0.6719(10) 0.1230(13) 0.083(4) Uani 1 1 d . U . . .
H3A H 0.059992 0.724359 0.084878 0.099 Uiso 1 1 calc R U . . .
H3B H 0.062561 0.623085 0.071585 0.099 Uiso 1 1 calc R U . . .
C25 C 0.2786(9) 0.4565(14) 0.401(2) 0.097(6) Uani 1 1 d . U . . .
H25A H 0.245773 0.415063 0.376862 0.145 Uiso 1 1 calc R U . . .
H25B H 0.262721 0.514537 0.392227 0.145 Uiso 1 1 calc R U . . .
H25C H 0.311829 0.446386 0.479634 0.145 Uiso 1 1 calc R U . . .
C13 C 0.4324(8) 0.693(2) 0.8492(14) 0.097(4) Uani 0.841(16) 1 d . U P C 1
H13A H 0.457337 0.642143 0.863605 0.145 Uiso 0.841(16) 1 calc R U P C 1
H13B H 0.456761 0.744423 0.864194 0.145 Uiso 0.841(16) 1 calc R U P C 1
H13C H 0.418631 0.692084 0.898174 0.145 Uiso 0.841(16) 1 calc R U P C 1
C7 C 0.0871(7) 0.6580(11) 0.2274(16) 0.092(4) Uani 1 1 d . U . . .
H7 H 0.046590 0.649806 0.214882 0.111 Uiso 1 1 calc R U . . .
C29 C 0.630(2) 0.409(3) 0.908(4) 0.096(10) Uani 0.48(2) 1 d D U P D 1
H29A H 0.615839 0.368543 0.846266 0.144 Uiso 0.48(2) 1 calc R U P D 1
H29B H 0.646633 0.376406 0.977419 0.144 Uiso 0.48(2) 1 calc R U P D 1
H29C H 0.662156 0.445156 0.916571 0.144 Uiso 0.48(2) 1 calc R U P D 1
C15 C 0.3360(11) 0.7683(16) 0.697(2) 0.087(5) Uani 0.841(16) 1 d . U P C 1
H15A H 0.301465 0.764499 0.618558 0.131 Uiso 0.841(16) 1 calc R U P C 1
H15B H 0.320726 0.768651 0.744029 0.131 Uiso 0.841(16) 1 calc R U P C 1
H15C H 0.358856 0.820990 0.710049 0.131 Uiso 0.841(16) 1 calc R U P C 1
C31 C 0.1302(7) 0.7228(12) 0.3216(15) 0.094(4) Uani 1 1 d . U . . .
C9 C 0.2498(9) 0.4570(15) 0.2061(16) 0.097(6) Uani 1 1 d . U . . .
H9A H 0.265103 0.456679 0.159660 0.145 Uiso 1 1 calc R U . . .
H9B H 0.229217 0.511452 0.196510 0.145 Uiso 1 1 calc R U . . .
H9C H 0.220761 0.409918 0.183539 0.145 Uiso 1 1 calc R U . . .
C33 C 0.1276(11) 0.8132(17) 0.282(2) 0.121(7) Uani 1 1 d . U . . .
H33A H 0.148406 0.815312 0.244522 0.182 Uiso 1 1 calc R U . . .
H33B H 0.147860 0.852273 0.345563 0.182 Uiso 1 1 calc R U . . .
H33C H 0.084854 0.830480 0.228545 0.182 Uiso 1 1 calc R U . . .
C17 C 0.1230(9) 0.7240(17) 0.4170(17) 0.125(7) Uani 1 1 d . U . . .
H17A H 0.093118 0.767821 0.402421 0.187 Uiso 1 1 calc R U . . .
H17B H 0.162449 0.737060 0.487121 0.187 Uiso 1 1 calc R U . . .
H17C H 0.108762 0.667963 0.422790 0.187 Uiso 1 1 calc R U . . .
C35 C 0.6240(16) 0.973(2) 0.905(3) 0.115(9) Uani 0.73(2) 1 d . U P A 1
H35A H 0.657173 0.930850 0.935988 0.172 Uiso 0.73(2) 1 calc R U P A 1
H35B H 0.634128 1.015655 0.961885 0.172 Uiso 0.73(2) 1 calc R U P A 1
H35C H 0.618638 1.000802 0.840127 0.172 Uiso 0.73(2) 1 calc R U P A 1
C37 C 0.523(2) 0.410(3) 0.840(4) 0.111(11) Uani 0.48(2) 1 d D U P D 1
H37A H 0.484824 0.442813 0.796383 0.167 Uiso 0.48(2) 1 calc R U P D 1
H37B H 0.526189 0.381800 0.902307 0.167 Uiso 0.48(2) 1 calc R U P D 1
H37C H 0.523656 0.367552 0.791763 0.167 Uiso 0.48(2) 1 calc R U P D 1
C19 C 0.1841(7) 0.6625(10) 0.3493(15) 0.086(3) Uani 1 1 d . U . . .
H19 H 0.219936 0.659266 0.429467 0.103 Uiso 1 1 calc R U . . .
C39 C 0.3349(14) 1.0321(19) 0.378(4) 0.076(7) Uani 0.69(2) 1 d D U P B 1
H39A H 0.359875 1.039201 0.459623 0.115 Uiso 0.69(2) 1 calc R U P B 1
H39B H 0.303522 1.076735 0.343083 0.115 Uiso 0.69(2) 1 calc R U P B 1
H39C H 0.360965 1.036629 0.351839 0.115 Uiso 0.69(2) 1 calc R U P B 1
C5 C 0.3531(7) 0.5114(11) 0.3666(17) 0.073(4) Uani 1 1 d . U . . .
C41 C 0.5125(16) 0.983(2) 0.828(3) 0.129(11) Uani 0.73(2) 1 d . U P A 1
H41A H 0.495269 1.000201 0.750783 0.193 Uiso 0.73(2) 1 calc R U P A 1
H41B H 0.524816 1.034101 0.875038 0.193 Uiso 0.73(2) 1 calc R U P A 1
H41C H 0.481735 0.951453 0.830097 0.193 Uiso 0.73(2) 1 calc R U P A 1
C43 C 0.5922(18) 0.511(2) 0.988(3) 0.081(8) Uani 0.48(2) 1 d D U P D 1
H43A H 0.627249 0.548335 1.012936 0.121 Uiso 0.48(2) 1 calc R U P D 1
H43B H 0.603542 0.468213 1.045602 0.121 Uiso 0.48(2) 1 calc R U P D 1
H43C H 0.558062 0.545429 0.974690 0.121 Uiso 0.48(2) 1 calc R U P D 1
C45 C 0.2801(13) 0.9223(19) 0.411(3) 0.086(7) Uani 0.69(2) 1 d D U P B 1
H45A H 0.263432 0.864103 0.393184 0.129 Uiso 0.69(2) 1 calc R U P B 1
H45B H 0.247686 0.962832 0.392667 0.129 Uiso 0.69(2) 1 calc R U P B 1
H45C H 0.313110 0.926087 0.490967 0.129 Uiso 0.69(2) 1 calc R U P B 1
C24A C 0.3030(17) 0.949(2) 0.304(4) 0.083(8) Uani 0.31(2) 1 d D U P B 2
C45A C 0.323(3) 1.022(4) 0.378(7) 0.080(14) Uani 0.31(2) 1 d D U P B 2
H45D H 0.316168 1.010489 0.435674 0.120 Uiso 0.31(2) 1 calc R U P B 2
H45E H 0.298773 1.072355 0.334395 0.120 Uiso 0.31(2) 1 calc R U P B 2
H45F H 0.366047 1.032782 0.412502 0.120 Uiso 0.31(2) 1 calc R U P B 2
C39A C 0.287(2) 0.973(3) 0.187(3) 0.088(12) Uani 0.31(2) 1 d D U P B 2
H39D H 0.323920 0.972138 0.189380 0.132 Uiso 0.31(2) 1 calc R U P B 2
H39E H 0.268661 1.030093 0.166567 0.132 Uiso 0.31(2) 1 calc R U P B 2
H39F H 0.257444 0.931310 0.131848 0.132 Uiso 0.31(2) 1 calc R U P B 2
C44A C 0.2504(18) 0.908(3) 0.294(5) 0.088(10) Uani 0.31(2) 1 d D U P B 2
H44D H 0.230541 0.867692 0.231504 0.132 Uiso 0.31(2) 1 calc R U P B 2
H44E H 0.220988 0.951619 0.282028 0.132 Uiso 0.31(2) 1 calc R U P B 2
H44F H 0.264867 0.876716 0.363657 0.132 Uiso 0.31(2) 1 calc R U P B 2
C13A C 0.399(4) 0.621(4) 0.816(6) 0.087(13) Uani 0.159(16) 1 d D U P C 2
H13D H 0.378572 0.627496 0.853291 0.131 Uiso 0.159(16) 1 calc R U P C 2
H13E H 0.388943 0.565502 0.778989 0.131 Uiso 0.159(16) 1 calc R U P C 2
H13F H 0.443295 0.625717 0.871257 0.131 Uiso 0.159(16) 1 calc R U P C 2
C15A C 0.383(4) 0.781(3) 0.782(6) 0.074(10) Uani 0.159(16) 1 d D U P C 2
H15D H 0.364327 0.777094 0.823194 0.111 Uiso 0.159(16) 1 calc R U P C 2
H15E H 0.426199 0.795624 0.834188 0.111 Uiso 0.159(16) 1 calc R U P C 2
H15F H 0.361922 0.824406 0.724081 0.111 Uiso 0.159(16) 1 calc R U P C 2
C34A C 0.3085(15) 0.679(5) 0.634(4) 0.077(10) Uani 0.159(16) 1 d D U P C 2
H34D H 0.285353 0.678055 0.666588 0.115 Uiso 0.159(16) 1 calc R U P C 2
H34E H 0.293557 0.725233 0.579364 0.115 Uiso 0.159(16) 1 calc R U P C 2
H34F H 0.303231 0.624073 0.596894 0.115 Uiso 0.159(16) 1 calc R U P C 2
C35A C 0.562(3) 1.015(3) 0.813(5) 0.120(15) Uani 0.27(2) 1 d D U P A 2
H35D H 0.597965 1.049604 0.865770 0.180 Uiso 0.27(2) 1 calc R U P A 2
H35E H 0.524979 1.045325 0.793123 0.180 Uiso 0.27(2) 1 calc R U P A 2
H35F H 0.560361 1.004016 0.746032 0.180 Uiso 0.27(2) 1 calc R U P A 2
C41A C 0.5086(19) 0.929(4) 0.870(5) 0.088(10) Uani 0.27(2) 1 d D U P A 2
H41D H 0.472002 0.935801 0.793603 0.131 Uiso 0.27(2) 1 calc R U P A 2
H41E H 0.511297 0.977169 0.915930 0.131 Uiso 0.27(2) 1 calc R U P A 2
H41F H 0.506155 0.875471 0.901621 0.131 Uiso 0.27(2) 1 calc R U P A 2
C22A C 0.6272(19) 0.929(4) 0.987(3) 0.104(13) Uani 0.27(2) 1 d D U P A 2
H22D H 0.661088 0.921326 0.979771 0.157 Uiso 0.27(2) 1 calc R U P A 2
H22E H 0.627555 0.881828 1.031437 0.157 Uiso 0.27(2) 1 calc R U P A 2
H22F H 0.631918 0.983291 1.023862 0.157 Uiso 0.27(2) 1 calc R U P A 2
C43A C 0.6427(16) 0.438(2) 0.942(4) 0.110(11) Uani 0.52(2) 1 d D U P D 2
H43D H 0.659803 0.436651 0.898296 0.165 Uiso 0.52(2) 1 calc R U P D 2
H43E H 0.650962 0.383378 0.981021 0.165 Uiso 0.52(2) 1 calc R U P D 2
H43F H 0.661516 0.484521 0.996395 0.165 Uiso 0.52(2) 1 calc R U P D 2
C23A C 0.5751(17) 0.452(2) 0.865(3) 0.089(6) Uani 0.52(2) 1 d D U P D 2
C37A C 0.5462(19) 0.470(2) 0.919(3) 0.112(10) Uani 0.52(2) 1 d D U P D 2
H37D H 0.562777 0.522702 0.962216 0.169 Uiso 0.52(2) 1 calc R U P D 2
H37E H 0.553739 0.422452 0.969588 0.169 Uiso 0.52(2) 1 calc R U P D 2
H37F H 0.502070 0.476028 0.862940 0.169 Uiso 0.52(2) 1 calc R U P D 2
C29A C 0.5445(14) 0.3644(18) 0.796(3) 0.077(7) Uani 0.52(2) 1 d D U P D 2
H29D H 0.500431 0.372842 0.741647 0.115 Uiso 0.52(2) 1 calc R U P D 2
H29E H 0.551693 0.318678 0.848066 0.115 Uiso 0.52(2) 1 calc R U P D 2
H29F H 0.562772 0.348700 0.756945 0.115 Uiso 0.52(2) 1 calc R U P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Ti1 3.738(3) 2_656 ?
Eu1 Ti1 3.792(3) . ?
Eu1 Ti2 3.762(3) . ?
Eu1 Ti2 3.729(3) 2_656 ?
Eu1 O4 2.383(13) 2_656 ?
Eu1 O6 2.355(13) . ?
Eu1 O12 2.395(7) . ?
Eu1 O7 2.324(6) 2_656 ?
Eu1 N1 2.665(8) . ?
Eu1 N3 2.596(9) . ?
Eu1 O11 2.419(12) . ?
Eu1 O13 2.444(12) 2_656 ?
Ti1 Ti2 2.839(2) . ?
Ti1 O10 1.823(6) . ?
Ti1 O12 1.898(10) . ?
Ti1 O14 2.032(11) . ?
Ti1 O7 1.881(11) . ?
Ti1 O2 2.011(11) . ?
Ti1 O5 2.096(12) . ?
Ti2 O1 2.098(12) . ?
Ti2 O8 2.029(11) . ?
Ti2 O12 1.910(12) . ?
Ti2 O7 1.880(11) . ?
Ti2 O9 2.021(12) . ?
Ti2 O3 1.805(5) . ?
O1 C16 1.27(2) . ?
O4 C6 1.27(2) . ?
O6 C1 1.21(2) . ?
O8 C1 1.28(2) . ?
O14 C36 1.28(2) . ?
C1 C24 1.60(3) . ?
C1 C24A 1.60(3) . ?
O2 C5 1.28(2) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C42 1.52(3) . ?
O9 C6 1.23(2) . ?
N1 C8 1.361(13) . ?
N1 C30 1.323(15) . ?
O5 C16 1.25(2) . ?
N3 C10 1.345(13) . ?
N3 C20 1.352(15) . ?
O11 C5 1.25(2) . ?
C6 C32 1.54(3) . ?
C8 C10 1.453(16) . ?
C8 C12 1.407(14) . ?
C10 C14 1.396(16) . ?
O13 C36 1.25(2) . ?
C12 H12 0.9500 . ?
C12 C40 1.373(18) . ?
C14 H14 0.9500 . ?
C14 C38 1.377(18) . ?
C16 C26 1.534(15) . ?
C18 H18 0.9500 . ?
C18 C20 1.363(18) . ?
C18 C38 1.392(19) . ?
C20 H20 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 C32 1.62(4) . ?
C24 C44 1.48(3) . ?
C24 C39 1.56(4) . ?
C24 C45 1.44(4) . ?
C26 C34 1.54(3) . ?
C26 C13 1.52(2) . ?
C26 C15 1.50(3) . ?
C26 C13A 1.55(2) . ?
C26 C15A 1.55(2) . ?
C26 C34A 1.55(2) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C7 1.60(3) . ?
C28 C19 1.58(3) . ?
C30 H30 0.9500 . ?
C30 C11 1.386(16) . ?
C32 C35 1.50(4) . ?
C32 C41 1.47(3) . ?
C32 C35A 1.55(2) . ?
C32 C41A 1.55(2) . ?
C32 C22A 1.54(2) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C36 C23 1.50(3) . ?
C36 C23A 1.51(3) . ?
C38 H38 0.9500 . ?
C40 C11 1.413(18) . ?
C40 C3 1.521(16) . ?
C42 C25 1.55(3) . ?
C42 C9 1.52(3) . ?
C42 C5 1.51(2) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C11 C19 1.52(2) . ?
C23 C29 1.62(5) . ?
C23 C37 1.43(4) . ?
C23 C43 1.49(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C7 1.50(2) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C7 H7 1.0000 . ?
C7 C31 1.56(2) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C31 C33 1.52(3) . ?
C31 C17 1.52(2) . ?
C31 C19 1.57(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C19 H19 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C24A C45A 1.45(5) . ?
C24A C39A 1.55(4) . ?
C24A C44A 1.48(4) . ?
C45A H45D 0.9800 . ?
C45A H45E 0.9800 . ?
C45A H45F 0.9800 . ?
C39A H39D 0.9800 . ?
C39A H39E 0.9800 . ?
C39A H39F 0.9800 . ?
C44A H44D 0.9800 . ?
C44A H44E 0.9800 . ?
C44A H44F 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C41A H41D 0.9800 . ?
C41A H41E 0.9800 . ?
C41A H41F 0.9800 . ?
C22A H22D 0.9800 . ?
C22A H22E 0.9800 . ?
C22A H22F 0.9800 . ?
C43A H43D 0.9800 . ?
C43A H43E 0.9800 . ?
C43A H43F 0.9800 . ?
C43A C23A 1.50(4) . ?
C23A C37A 1.43(4) . ?
C23A C29A 1.61(4) . ?
C37A H37D 0.9800 . ?
C37A H37E 0.9800 . ?
C37A H37F 0.9800 . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ti1 Eu1 Ti1 54.37(9) 2_656 . ?
Ti1 Eu1 Ti2 73.15(6) 2_656 . ?
Ti2 Eu1 Ti1 44.68(4) 2_656 2_656 ?
Ti2 Eu1 Ti1 44.14(4) . . ?
Ti2 Eu1 Ti1 72.91(6) 2_656 . ?
Ti2 Eu1 Ti2 55.08(8) 2_656 . ?
O4 Eu1 Ti1 94.5(3) 2_656 2_656 ?
O4 Eu1 Ti1 136.6(3) 2_656 . ?
O4 Eu1 Ti2 102.9(3) 2_656 . ?
O4 Eu1 Ti2 63.9(3) 2_656 2_656 ?
O4 Eu1 O12 128.5(4) 2_656 . ?
O4 Eu1 N1 117.2(4) 2_656 . ?
O4 Eu1 N3 72.5(4) 2_656 . ?
O4 Eu1 O11 155.1(5) 2_656 . ?
O4 Eu1 O13 85.7(3) 2_656 2_656 ?
O6 Eu1 Ti1 100.2(3) . . ?
O6 Eu1 Ti1 126.3(3) . 2_656 ?
O6 Eu1 Ti2 85.2(3) . 2_656 ?
O6 Eu1 Ti2 60.2(3) . . ?
O6 Eu1 O4 73.0(5) . 2_656 ?
O6 Eu1 O12 75.7(4) . . ?
O6 Eu1 N1 68.7(5) . . ?
O6 Eu1 N3 92.5(5) . . ?
O6 Eu1 O11 128.2(3) . . ?
O6 Eu1 O13 156.5(5) . 2_656 ?
O12 Eu1 Ti1 24.6(3) . . ?
O12 Eu1 Ti1 72.88(19) . 2_656 ?
O12 Eu1 Ti2 73.69(19) . 2_656 ?
O12 Eu1 Ti2 25.7(3) . . ?
O12 Eu1 N1 86.9(2) . . ?
O12 Eu1 N3 148.6(2) . . ?
O12 Eu1 O11 74.4(4) . . ?
O12 Eu1 O13 126.7(4) . 2_656 ?
O7 Eu1 Ti1 24.3(3) 2_656 2_656 ?
O7 Eu1 Ti1 70.8(2) 2_656 . ?
O7 Eu1 Ti2 24.5(3) 2_656 2_656 ?
O7 Eu1 Ti2 71.4(2) 2_656 . ?
O7 Eu1 O4 71.7(4) 2_656 2_656 ?
O7 Eu1 O6 109.6(4) 2_656 . ?
O7 Eu1 O12 81.9(2) 2_656 . ?
O7 Eu1 N1 168.7(3) 2_656 . ?
O7 Eu1 N3 129.4(3) 2_656 . ?
O7 Eu1 O11 106.7(4) 2_656 . ?
O7 Eu1 O13 71.5(4) 2_656 2_656 ?
N1 Eu1 Ti1 98.3(2) . . ?
N1 Eu1 Ti1 148.3(3) . 2_656 ?
N1 Eu1 Ti2 150.8(3) . 2_656 ?
N1 Eu1 Ti2 98.9(2) . . ?
N3 Eu1 Ti1 134.2(3) . 2_656 ?
N3 Eu1 Ti1 150.6(4) . . ?
N3 Eu1 Ti2 151.9(4) . . ?
N3 Eu1 Ti2 135.1(3) . 2_656 ?
N3 Eu1 N1 61.7(3) . . ?
O11 Eu1 Ti1 59.5(3) . . ?
O11 Eu1 Ti1 82.5(3) . 2_656 ?
O11 Eu1 Ti2 124.2(3) . 2_656 ?
O11 Eu1 Ti2 99.9(3) . . ?
O11 Eu1 N1 68.4(4) . . ?
O11 Eu1 N3 91.8(5) . . ?
O11 Eu1 O13 70.7(4) . 2_656 ?
O13 Eu1 Ti1 102.1(3) 2_656 . ?
O13 Eu1 Ti1 63.9(3) 2_656 2_656 ?
O13 Eu1 Ti2 94.4(3) 2_656 2_656 ?
O13 Eu1 Ti2 136.7(3) 2_656 . ?
O13 Eu1 N1 114.8(4) 2_656 . ?
O13 Eu1 N3 71.3(4) 2_656 . ?
Eu1 Ti1 Eu1 106.55(7) 2_656 . ?
Ti2 Ti1 Eu1 67.35(11) . . ?
Ti2 Ti1 Eu1 67.48(10) . 2_656 ?
O10 Ti1 Eu1 71.5(3) . . ?
O10 Ti1 Eu1 73.1(3) . 2_656 ?
O10 Ti1 Ti2 109.5(5) . . ?
O10 Ti1 O12 99.9(5) . . ?
O10 Ti1 O14 90.5(5) . . ?
O10 Ti1 O7 98.5(4) . . ?
O10 Ti1 O2 91.5(5) . . ?
O10 Ti1 O5 168.7(6) . . ?
O12 Ti1 Eu1 31.7(3) . . ?
O12 Ti1 Eu1 102.5(3) . 2_656 ?
O12 Ti1 Ti2 42.0(3) . . ?
O12 Ti1 O14 168.3(5) . . ?
O12 Ti1 O2 92.4(5) . . ?
O12 Ti1 O5 89.4(4) . . ?
O14 Ti1 Eu1 160.0(4) . . ?
O14 Ti1 Eu1 75.4(3) . 2_656 ?
O14 Ti1 Ti2 129.2(4) . . ?
O14 Ti1 O5 80.8(5) . . ?
O7 Ti1 Eu1 30.5(3) . 2_656 ?
O7 Ti1 Eu1 99.8(3) . . ?
O7 Ti1 Ti2 41.0(3) . . ?
O7 Ti1 O12 81.9(5) . . ?
O7 Ti1 O14 91.5(4) . . ?
O7 Ti1 O2 169.2(4) . . ?
O7 Ti1 O5 89.0(4) . . ?
O2 Ti1 Eu1 79.5(4) . . ?
O2 Ti1 Eu1 160.0(4) . 2_656 ?
O2 Ti1 Ti2 131.2(4) . . ?
O2 Ti1 O14 92.5(5) . . ?
O2 Ti1 O5 81.8(5) . . ?
O5 Ti1 Eu1 111.3(4) . 2_656 ?
O5 Ti1 Eu1 115.6(3) . . ?
O5 Ti1 Ti2 81.7(3) . . ?
Eu1 Ti2 Eu1 107.38(7) 2_656 . ?
Ti1 Ti2 Eu1 68.50(11) . . ?
Ti1 Ti2 Eu1 67.84(10) . 2_656 ?
O1 Ti2 Eu1 112.1(4) . 2_656 ?
O1 Ti2 Eu1 115.5(4) . . ?
O1 Ti2 Ti1 81.8(3) . . ?
O8 Ti2 Eu1 79.1(4) . . ?
O8 Ti2 Eu1 157.6(3) . 2_656 ?
O8 Ti2 Ti1 133.0(4) . . ?
O8 Ti2 O1 82.6(5) . . ?
O12 Ti2 Eu1 102.6(3) . 2_656 ?
O12 Ti2 Eu1 32.9(2) . . ?
O12 Ti2 Ti1 41.6(3) . . ?
O12 Ti2 O1 89.0(4) . . ?
O12 Ti2 O8 94.2(5) . . ?
O12 Ti2 O9 167.8(4) . . ?
O7 Ti2 Eu1 100.8(3) . . ?
O7 Ti2 Eu1 30.8(3) . 2_656 ?
O7 Ti2 Ti1 41.0(3) . . ?
O7 Ti2 O1 89.6(4) . . ?
O7 Ti2 O8 171.2(4) . . ?
O7 Ti2 O12 81.6(4) . . ?
O7 Ti2 O9 90.6(4) . . ?
O9 Ti2 Eu1 74.2(3) . 2_656 ?
O9 Ti2 Eu1 159.3(3) . . ?
O9 Ti2 Ti1 128.5(4) . . ?
O9 Ti2 O1 81.5(5) . . ?
O9 Ti2 O8 92.2(5) . . ?
O3 Ti2 Eu1 69.7(3) . . ?
O3 Ti2 Eu1 70.6(3) . 2_656 ?
O3 Ti2 Ti1 106.2(5) . . ?
O3 Ti2 O1 171.9(6) . . ?
O3 Ti2 O8 92.6(5) . . ?
O3 Ti2 O12 97.9(4) . . ?
O3 Ti2 O7 95.6(4) . . ?
O3 Ti2 O9 92.1(5) . . ?
C16 O1 Ti2 125.0(10) . . ?
C6 O4 Eu1 134.4(12) . 2_656 ?
C1 O6 Eu1 144.0(12) . . ?
C1 O8 Ti2 128.0(12) . . ?
Ti1 O10 Ti1 141.5(10) . 2_656 ?
Ti1 O12 Eu1 123.7(5) . . ?
Ti1 O12 Ti2 96.4(3) . . ?
Ti2 O12 Eu1 121.4(5) . . ?
C36 O14 Ti1 133.7(11) . . ?
Ti1 O7 Eu1 125.2(5) . 2_656 ?
Ti2 O7 Eu1 124.7(5) . 2_656 ?
Ti2 O7 Ti1 98.0(3) . . ?
O6 C1 O8 125.7(16) . . ?
O6 C1 C24 129.0(18) . . ?
O6 C1 C24A 111(2) . . ?
O8 C1 C24 105.0(17) . . ?
O8 C1 C24A 123(2) . . ?
C5 O2 Ti1 130.0(11) . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C42 C4 H4A 109.5 . . ?
C42 C4 H4B 109.5 . . ?
C42 C4 H4C 109.5 . . ?
C6 O9 Ti2 135.3(12) . . ?
C8 N1 Eu1 119.8(7) . . ?
C30 N1 Eu1 121.0(6) . . ?
C30 N1 C8 119.2(9) . . ?
C16 O5 Ti1 125.8(10) . . ?
C10 N3 Eu1 123.6(7) . . ?
C10 N3 C20 118.2(10) . . ?
C20 N3 Eu1 118.2(7) . . ?
C5 O11 Eu1 141.9(12) . . ?
Ti2 O3 Ti2 147.2(9) . 2_656 ?
O4 C6 C32 119.4(16) . . ?
O9 C6 O4 124.5(16) . . ?
O9 C6 C32 116.1(16) . . ?
N1 C8 C10 118.0(9) . . ?
N1 C8 C12 119.8(10) . . ?
C12 C8 C10 122.1(10) . . ?
N3 C10 C8 116.8(9) . . ?
N3 C10 C14 121.1(11) . . ?
C14 C10 C8 122.0(10) . . ?
C36 O13 Eu1 134.2(12) . 2_656 ?
C8 C12 H12 119.3 . . ?
C40 C12 C8 121.3(11) . . ?
C40 C12 H12 119.3 . . ?
C10 C14 H14 120.3 . . ?
C38 C14 C10 119.5(11) . . ?
C38 C14 H14 120.3 . . ?
O1 C16 C26 116.4(18) . . ?
O5 C16 O1 125.5(9) . . ?
O5 C16 C26 118.2(18) . . ?
C20 C18 H18 121.1 . . ?
C20 C18 C38 117.8(12) . . ?
C38 C18 H18 121.1 . . ?
N3 C20 C18 123.9(12) . . ?
N3 C20 H20 118.0 . . ?
C18 C20 H20 118.0 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C32 C22 H22A 109.5 . . ?
C32 C22 H22B 109.5 . . ?
C32 C22 H22C 109.5 . . ?
C44 C24 C1 103.3(19) . . ?
C44 C24 C39 112(3) . . ?
C39 C24 C1 107(2) . . ?
C45 C24 C1 113(2) . . ?
C45 C24 C44 110(2) . . ?
C45 C24 C39 112(3) . . ?
C16 C26 C34 110.4(18) . . ?
C16 C26 C13A 116(4) . . ?
C16 C26 C15A 113(3) . . ?
C16 C26 C34A 102(3) . . ?
C13 C26 C16 103.9(10) . . ?
C13 C26 C34 107(2) . . ?
C15 C26 C16 111.5(16) . . ?
C15 C26 C34 109.9(12) . . ?
C15 C26 C13 114(2) . . ?
C13A C26 C15A 109(3) . . ?
C13A C26 C34A 109(3) . . ?
C34A C26 C15A 107(3) . . ?
H28A C28 H28B 111.6 . . ?
C7 C28 H28A 114.5 . . ?
C7 C28 H28B 114.5 . . ?
C19 C28 H28A 114.5 . . ?
C19 C28 H28B 114.5 . . ?
C19 C28 C7 84.8(14) . . ?
N1 C30 H30 118.2 . . ?
N1 C30 C11 123.7(11) . . ?
C11 C30 H30 118.2 . . ?
C6 C32 C22 106.7(19) . . ?
C6 C32 C35A 105(3) . . ?
C6 C32 C41A 108(2) . . ?
C6 C32 C22A 118(3) . . ?
C35 C32 C6 105.2(18) . . ?
C35 C32 C22 104(2) . . ?
C41 C32 C6 114.3(19) . . ?
C41 C32 C22 109(2) . . ?
C41 C32 C35 116(3) . . ?
C41A C32 C35A 103(3) . . ?
C22A C32 C35A 107(3) . . ?
C22A C32 C41A 114(3) . . ?
C26 C34 H34A 109.5 . . ?
C26 C34 H34B 109.5 . . ?
C26 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O14 C36 C23 121.5(19) . . ?
O14 C36 C23A 115(2) . . ?
O13 C36 O14 125.0(17) . . ?
O13 C36 C23 113.4(19) . . ?
O13 C36 C23A 119(2) . . ?
C14 C38 C18 119.5(12) . . ?
C14 C38 H38 120.3 . . ?
C18 C38 H38 120.3 . . ?
C12 C40 C11 117.4(10) . . ?
C12 C40 C3 124.0(11) . . ?
C11 C40 C3 118.6(12) . . ?
C4 C42 C25 110.1(18) . . ?
C4 C42 C9 110.8(18) . . ?
C9 C42 C25 108.4(17) . . ?
C5 C42 C4 106.5(15) . . ?
C5 C42 C25 108.3(17) . . ?
C5 C42 C9 112.7(16) . . ?
C24 C44 H44A 109.5 . . ?
C24 C44 H44B 109.5 . . ?
C24 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C30 C11 C40 118.4(12) . . ?
C30 C11 C19 125.2(12) . . ?
C40 C11 C19 116.4(11) . . ?
C36 C23 C29 107(3) . . ?
C37 C23 C36 109(3) . . ?
C37 C23 C29 106(3) . . ?
C37 C23 C43 114(4) . . ?
C43 C23 C36 113(3) . . ?
C43 C23 C29 108(3) . . ?
C40 C3 H3A 109.5 . . ?
C40 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
C7 C3 C40 110.6(12) . . ?
C7 C3 H3A 109.5 . . ?
C7 C3 H3B 109.5 . . ?
C42 C25 H25A 109.5 . . ?
C42 C25 H25B 109.5 . . ?
C42 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C13 H13A 109.5 . . ?
C26 C13 H13B 109.5 . . ?
C26 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C28 C7 H7 114.6 . . ?
C3 C7 C28 110.3(14) . . ?
C3 C7 H7 114.6 . . ?
C3 C7 C31 112.7(13) . . ?
C31 C7 C28 86.8(13) . . ?
C31 C7 H7 114.6 . . ?
C23 C29 H29A 109.5 . . ?
C23 C29 H29B 109.5 . . ?
C23 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C15 H15A 109.5 . . ?
C26 C15 H15B 109.5 . . ?
C26 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C7 C31 C19 86.5(12) . . ?
C33 C31 C7 114.8(17) . . ?
C33 C31 C17 110.1(18) . . ?
C33 C31 C19 119.1(14) . . ?
C17 C31 C7 113.6(15) . . ?
C17 C31 C19 111.1(16) . . ?
C42 C9 H9A 109.5 . . ?
C42 C9 H9B 109.5 . . ?
C42 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C17 H17A 109.5 . . ?
C31 C17 H17B 109.5 . . ?
C31 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C23 C37 H37A 109.5 . . ?
C23 C37 H37B 109.5 . . ?
C23 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C28 C19 H19 116.6 . . ?
C11 C19 C28 106.4(14) . . ?
C11 C19 C31 109.6(13) . . ?
C11 C19 H19 116.6 . . ?
C31 C19 C28 87.0(12) . . ?
C31 C19 H19 116.6 . . ?
C24 C39 H39A 109.5 . . ?
C24 C39 H39B 109.5 . . ?
C24 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O2 C5 C42 116.1(17) . . ?
O11 C5 O2 123.5(15) . . ?
O11 C5 C42 120.3(17) . . ?
C32 C41 H41A 109.5 . . ?
C32 C41 H41B 109.5 . . ?
C32 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C23 C43 H43A 109.5 . . ?
C23 C43 H43B 109.5 . . ?
C23 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C24 C45 H45A 109.5 . . ?
C24 C45 H45B 109.5 . . ?
C24 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C45A C24A C1 109(3) . . ?
C45A C24A C39A 113(4) . . ?
C45A C24A C44A 109(4) . . ?
C39A C24A C1 113(3) . . ?
C44A C24A C1 101(2) . . ?
C44A C24A C39A 111(4) . . ?
C24A C45A H45D 109.5 . . ?
C24A C45A H45E 109.5 . . ?
C24A C45A H45F 109.5 . . ?
H45D C45A H45E 109.5 . . ?
H45D C45A H45F 109.5 . . ?
H45E C45A H45F 109.5 . . ?
C24A C39A H39D 109.5 . . ?
C24A C39A H39E 109.5 . . ?
C24A C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?
C24A C44A H44D 109.5 . . ?
C24A C44A H44E 109.5 . . ?
C24A C44A H44F 109.5 . . ?
H44D C44A H44E 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?
C26 C13A H13D 109.5 . . ?
C26 C13A H13E 109.5 . . ?
C26 C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C26 C15A H15D 109.5 . . ?
C26 C15A H15E 109.5 . . ?
C26 C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
C26 C34A H34D 109.5 . . ?
C26 C34A H34E 109.5 . . ?
C26 C34A H34F 109.5 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C32 C35A H35D 109.5 . . ?
C32 C35A H35E 109.5 . . ?
C32 C35A H35F 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C32 C41A H41D 109.5 . . ?
C32 C41A H41E 109.5 . . ?
C32 C41A H41F 109.5 . . ?
H41D C41A H41E 109.5 . . ?
H41D C41A H41F 109.5 . . ?
H41E C41A H41F 109.5 . . ?
C32 C22A H22D 109.5 . . ?
C32 C22A H22E 109.5 . . ?
C32 C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
H43D C43A H43E 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C23A C43A H43D 109.5 . . ?
C23A C43A H43E 109.5 . . ?
C23A C43A H43F 109.5 . . ?
C36 C23A C29A 113(3) . . ?
C43A C23A C36 112(3) . . ?
C43A C23A C29A 108(3) . . ?
C37A C23A C36 103(2) . . ?
C37A C23A C43A 115(4) . . ?
C37A C23A C29A 106(3) . . ?
C23A C37A H37D 109.5 . . ?
C23A C37A H37E 109.5 . . ?
C23A C37A H37F 109.5 . . ?
H37D C37A H37E 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 109.5 . . ?
C23A C29A H29D 109.5 . . ?
C23A C29A H29E 109.5 . . ?
C23A C29A H29F 109.5 . . ?
H29D C29A H29E 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 Ti1 O10 Ti1 -57.54(13) 2_656 . . 2_656 ?
Eu1 Ti1 O10 Ti1 57.01(14) . . . 2_656 ?
Eu1 Ti1 O12 Eu1 101.3(4) 2_656 . . . ?
Eu1 Ti1 O12 Ti2 -134.8(5) . . . . ?
Eu1 Ti1 O12 Ti2 -33.5(3) 2_656 . . . ?
Eu1 Ti1 O7 Eu1 -106.1(4) . . . 2_656 ?
Eu1 Ti1 O7 Ti2 37.4(3) . . . . ?
Eu1 Ti1 O7 Ti2 143.4(6) 2_656 . . . ?
Eu1 Ti2 O7 Eu1 105.8(4) . . . 2_656 ?
Eu1 Ti2 O7 Ti1 -37.9(3) . . . . ?
Eu1 Ti2 O7 Ti1 -143.7(6) 2_656 . . . ?
Eu1 Ti2 O3 Ti2 59.06(14) 2_656 . . 2_656 ?
Eu1 Ti2 O3 Ti2 -58.79(15) . . . 2_656 ?
Eu1 O4 C6 O9 18(3) 2_656 . . . ?
Eu1 O4 C6 C32 -163.9(13) 2_656 . . . ?
Eu1 O6 C1 O8 27(3) . . . . ?
Eu1 O6 C1 C24 -146.2(18) . . . . ?
Eu1 O6 C1 C24A -161.4(19) . . . . ?
Eu1 N1 C8 C10 3(3) . . . . ?
Eu1 N1 C8 C12 179.3(15) . . . . ?
Eu1 N1 C30 C11 -174.6(13) . . . . ?
Eu1 N3 C10 C8 2(3) . . . . ?
Eu1 N3 C10 C14 178.8(15) . . . . ?
Eu1 N3 C20 C18 -180(2) . . . . ?
Eu1 O11 C5 O2 -35(3) . . . . ?
Eu1 O11 C5 C42 146.3(14) . . . . ?
Eu1 O13 C36 O14 -18(3) 2_656 . . . ?
Eu1 O13 C36 C23 165(2) 2_656 . . . ?
Eu1 O13 C36 C23A 151.0(19) 2_656 . . . ?
Ti1 Ti2 O7 Eu1 143.7(6) . . . 2_656 ?
Ti1 Ti2 O3 Ti2 0.28(12) . . . 2_656 ?
Ti1 O14 C36 O13 -18(3) . . . . ?
Ti1 O14 C36 C23 158(2) . . . . ?
Ti1 O14 C36 C23A 172.7(18) . . . . ?
Ti1 O2 C5 O11 9(3) . . . . ?
Ti1 O2 C5 C42 -172.1(12) . . . . ?
Ti1 O5 C16 O1 4.1(18) . . . . ?
Ti1 O5 C16 C26 -174.8(9) . . . . ?
Ti2 Ti1 O10 Ti1 0.29(12) . . . 2_656 ?
Ti2 Ti1 O12 Eu1 134.8(5) . . . . ?
Ti2 Ti1 O7 Eu1 -143.4(6) . . . 2_656 ?
Ti2 O1 C16 O5 -5.3(18) . . . . ?
Ti2 O1 C16 C26 173.7(9) . . . . ?
Ti2 O8 C1 O6 -8(3) . . . . ?
Ti2 O8 C1 C24 166.0(13) . . . . ?
Ti2 O8 C1 C24A -179.2(19) . . . . ?
Ti2 O9 C6 O4 18(3) . . . . ?
Ti2 O9 C6 C32 -160.2(13) . . . . ?
O1 Ti2 O7 Eu1 -138.3(5) . . . 2_656 ?
O1 Ti2 O7 Ti1 78.0(4) . . . . ?
O1 C16 C26 C34 154.4(16) . . . . ?
O1 C16 C26 C13 -91(2) . . . . ?
O1 C16 C26 C15 32(2) . . . . ?
O1 C16 C26 C13A -144(4) . . . . ?
O1 C16 C26 C15A -17(4) . . . . ?
O1 C16 C26 C34A 98(3) . . . . ?
O4 C6 C32 C22 -47(2) . . . . ?
O4 C6 C32 C35 64(3) . . . . ?
O4 C6 C32 C41 -168(3) . . . . ?
O4 C6 C32 C35A 127(3) . . . . ?
O4 C6 C32 C41A -123(3) . . . . ?
O4 C6 C32 C22A 8(4) . . . . ?
O6 C1 C24 C44 1(3) . . . . ?
O6 C1 C24 C39 -117(3) . . . . ?
O6 C1 C24 C45 120(3) . . . . ?
O6 C1 C24A C45A -153(4) . . . . ?
O6 C1 C24A C39A -26(4) . . . . ?
O6 C1 C24A C44A 92(4) . . . . ?
O8 Ti2 O3 Ti2 -136.1(4) . . . 2_656 ?
O8 C1 C24 C44 -173(2) . . . . ?
O8 C1 C24 C39 69(3) . . . . ?
O8 C1 C24 C45 -54(3) . . . . ?
O8 C1 C24A C45A 19(5) . . . . ?
O8 C1 C24A C39A 146(3) . . . . ?
O8 C1 C24A C44A -96(4) . . . . ?
O10 Ti1 O12 Eu1 26.6(6) . . . . ?
O10 Ti1 O12 Ti2 -108.2(4) . . . . ?
O10 Ti1 O7 Eu1 -33.4(6) . . . 2_656 ?
O10 Ti1 O7 Ti2 110.0(4) . . . . ?
O12 Ti1 O10 Ti1 42.6(3) . . . 2_656 ?
O12 Ti1 O7 Eu1 -132.3(5) . . . 2_656 ?
O12 Ti1 O7 Ti2 11.1(3) . . . . ?
O12 Ti2 O7 Eu1 132.7(5) . . . 2_656 ?
O12 Ti2 O7 Ti1 -11.1(3) . . . . ?
O12 Ti2 O3 Ti2 -41.5(3) . . . 2_656 ?
O14 Ti1 O10 Ti1 -132.1(3) . . . 2_656 ?
O14 Ti1 O12 Eu1 180(100) . . . . ?
O14 Ti1 O12 Ti2 45(2) . . . . ?
O14 Ti1 O7 Eu1 57.3(6) . . . 2_656 ?
O14 Ti1 O7 Ti2 -159.2(4) . . . . ?
O14 C36 C23 C29 108(3) . . . . ?
O14 C36 C23 C37 -6(4) . . . . ?
O14 C36 C23 C43 -133(3) . . . . ?
O14 C36 C23A C43A 143(3) . . . . ?
O14 C36 C23A C37A -93(3) . . . . ?
O14 C36 C23A C29A 21(3) . . . . ?
O7 Ti1 O10 Ti1 -40.5(3) . . . 2_656 ?
O7 Ti1 O12 Eu1 123.9(5) . . . . ?
O7 Ti1 O12 Ti2 -10.9(3) . . . . ?
O7 Ti2 O3 Ti2 40.7(3) . . . 2_656 ?
O2 Ti1 O10 Ti1 135.4(4) . . . 2_656 ?
O2 Ti1 O12 Eu1 -65.3(6) . . . . ?
O2 Ti1 O12 Ti2 159.9(4) . . . . ?
O2 Ti1 O7 Eu1 169(2) . . . 2_656 ?
O2 Ti1 O7 Ti2 -48(3) . . . . ?
C4 C42 C5 O2 -71(2) . . . . ?
C4 C42 C5 O11 107(2) . . . . ?
O9 Ti2 O7 Eu1 -56.8(5) . . . 2_656 ?
O9 Ti2 O7 Ti1 159.5(4) . . . . ?
O9 Ti2 O3 Ti2 131.5(3) . . . 2_656 ?
O9 C6 C32 C22 131.3(19) . . . . ?
O9 C6 C32 C35 -119(2) . . . . ?
O9 C6 C32 C41 10(3) . . . . ?
O9 C6 C32 C35A -55(3) . . . . ?
O9 C6 C32 C41A 55(3) . . . . ?
O9 C6 C32 C22A -174(3) . . . . ?
N1 C8 C10 N3 -3(3) . . . . ?
N1 C8 C10 C14 179.8(19) . . . . ?
N1 C8 C12 C40 -5(3) . . . . ?
N1 C30 C11 C40 -5(3) . . . . ?
N1 C30 C11 C19 175.6(18) . . . . ?
O5 Ti1 O10 Ti1 -172(2) . . . 2_656 ?
O5 Ti1 O12 Eu1 -147.0(5) . . . . ?
O5 Ti1 O12 Ti2 78.2(4) . . . . ?
O5 Ti1 O7 Eu1 138.1(5) . . . 2_656 ?
O5 Ti1 O7 Ti2 -78.4(4) . . . . ?
O5 C16 C26 C34 -26.6(19) . . . . ?
O5 C16 C26 C13 88(2) . . . . ?
O5 C16 C26 C15 -149.0(17) . . . . ?
O5 C16 C26 C13A 35(4) . . . . ?
O5 C16 C26 C15A 162(3) . . . . ?
O5 C16 C26 C34A -83(3) . . . . ?
N3 C10 C14 C38 2(3) . . . . ?
O3 Ti2 O7 Eu1 35.4(5) . . . 2_656 ?
O3 Ti2 O7 Ti1 -108.3(4) . . . . ?
C8 N1 C30 C11 2(3) . . . . ?
C8 C10 C14 C38 179(2) . . . . ?
C8 C12 C40 C11 2(3) . . . . ?
C8 C12 C40 C3 -176.2(17) . . . . ?
C10 N3 C20 C18 1(4) . . . . ?
C10 C8 C12 C40 172(2) . . . . ?
C10 C14 C38 C18 0(4) . . . . ?
O13 C36 C23 C29 -76(3) . . . . ?
O13 C36 C23 C37 170(3) . . . . ?
O13 C36 C23 C43 43(4) . . . . ?
O13 C36 C23A C43A -27(4) . . . . ?
O13 C36 C23A C37A 97(3) . . . . ?
O13 C36 C23A C29A -149(2) . . . . ?
C12 C8 C10 N3 -179.3(19) . . . . ?
C12 C8 C10 C14 3(3) . . . . ?
C12 C40 C11 C30 2(2) . . . . ?
C12 C40 C11 C19 -178.0(16) . . . . ?
C12 C40 C3 C7 177.2(17) . . . . ?
C20 N3 C10 C8 -179(2) . . . . ?
C20 N3 C10 C14 -2(3) . . . . ?
C20 C18 C38 C14 0(4) . . . . ?
C28 C7 C31 C33 149.2(13) . . . . ?
C28 C7 C31 C17 -82.9(17) . . . . ?
C28 C7 C31 C19 28.6(13) . . . . ?
C30 N1 C8 C10 -174.2(19) . . . . ?
C30 N1 C8 C12 2(3) . . . . ?
C30 C11 C19 C28 -132.7(18) . . . . ?
C30 C11 C19 C31 134.6(17) . . . . ?
C38 C18 C20 N3 0(4) . . . . ?
C40 C11 C19 C28 47.7(18) . . . . ?
C40 C11 C19 C31 -44.9(18) . . . . ?
C40 C3 C7 C28 -46.8(18) . . . . ?
C40 C3 C7 C31 48.4(18) . . . . ?
C11 C40 C3 C7 -1(2) . . . . ?
C3 C40 C11 C30 -179.2(16) . . . . ?
C3 C40 C11 C19 0(2) . . . . ?
C3 C7 C31 C33 38.5(19) . . . . ?
C3 C7 C31 C17 166.4(15) . . . . ?
C3 C7 C31 C19 -82.1(14) . . . . ?
C25 C42 C5 O2 47(2) . . . . ?
C25 C42 C5 O11 -134.1(19) . . . . ?
C7 C28 C19 C11 -81.3(14) . . . . ?
C7 C28 C19 C31 28.2(13) . . . . ?
C7 C31 C19 C28 -29.0(14) . . . . ?
C7 C31 C19 C11 77.3(14) . . . . ?
C9 C42 C5 O2 166.9(17) . . . . ?
C9 C42 C5 O11 -14(3) . . . . ?
C33 C31 C19 C28 -145.5(17) . . . . ?
C33 C31 C19 C11 -39(2) . . . . ?
C17 C31 C19 C28 84.9(18) . . . . ?
C17 C31 C19 C11 -168.7(15) . . . . ?
C19 C28 C7 C3 84.5(15) . . . . ?
C19 C28 C7 C31 -28.5(13) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 84 electrons were 
found in a volume of 348Å³ in 1 void per unit cell. 
3[C2H3N], 2[H2O] per Unit Cell 
which account for 86 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.187 0.500 174 42 '1.5 MeCN,1 H2O'
2 1.000 0.687 0.500 174 42 '1.5 MeCN,1 H2O'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.166
_oxdiff_exptl_absorpt_empirical_full_min 0.390
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.931(12)
2 0.069(12)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 2214394'
loop_
_audit_author_name
_audit_author_address
'Xiang-Jian kong'
;Xiamen University
China
;
_audit_update_record             
;
2022-11-29 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C104 H86 Eu2 N4 O26 Ti4'
_chemical_formula_sum            'C104 H86 Eu2 N4 O26 Ti4'
_chemical_formula_weight         2303.28
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         C108H92Eu2N6O26Ti4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2191 1.8069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   13.1002(2)
_cell_length_b                   14.6924(2)
_cell_length_c                   15.1253(2)
_cell_angle_alpha                67.479(2)
_cell_angle_beta                 89.6700(10)
_cell_angle_gamma                73.051(2)
_cell_volume                     2553.86(8)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    19710
_cell_measurement_temperature    100.01(13)
_cell_measurement_theta_max      75.6430
_cell_measurement_theta_min      3.1790
_shelx_estimated_absorpt_T_max   0.309
_shelx_estimated_absorpt_T_min   0.225
_exptl_absorpt_coefficient_mu    11.810
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90818
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_unetI/netI     0.0559
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            36250
_diffrn_reflns_point_group_measured_fraction_full 0.688
_diffrn_reflns_point_group_measured_fraction_max 0.645
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.061
_diffrn_reflns_theta_min         3.186
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    107.00 174.00   0.50    0.70    --  102.99  38.00 120.00  134
  2  ω     93.00 129.00   0.50    0.70    --  102.99  38.00-120.00   72
  3  ω     34.00 120.00   0.50    0.10    --   47.87  57.00   0.00  172
  4  ω    -19.00  27.00   0.50    0.10    --  -47.87  19.00-150.00   92
  5  ω    -58.00 -27.00   0.50    0.70    --  -99.00  57.00-180.00   62
  6  ω   -103.00 -70.00   0.50    0.70    --  -99.00  77.00 -60.00   66
  7  ω    -54.00 -28.00   0.50    0.70    --  -99.00  57.00   0.00   52
  8  ω    -64.00 -37.00   0.50    0.70    --  -99.00  57.00  90.00   54
  9  ω    -24.00  26.00   0.50    0.10    --  -47.87  19.00 -30.00  100
 10  ω     81.00 158.00   0.50    0.70    --  102.99 125.00 150.00  154
 11  ω     75.00 100.00   0.50    0.70    --  102.99 172.00  99.00   50
 12  ω     60.00  85.00   0.50    0.10    --   47.87 172.00  99.00   50
 13  ω    109.00 172.00   0.50    0.70    --  102.99 115.00 -40.00  126
 14  ω     33.00  58.00   0.50    0.70    --  102.99 -57.00-120.00   50
 15  ω     41.00  66.00   0.50    0.70    --  102.99 -57.00-150.00   50
 16  ω    -25.00  20.00   0.50    0.10    --   47.87 -19.00  60.00   90
 17  ω     -8.00  18.00   0.50    0.10    --   47.87 -19.00 120.00   52
 18  ω     42.00  67.00   0.50    0.70    --  102.99 -57.00 120.00   50
 19  ω     32.00  67.00   0.50    0.70    --  102.99 -57.00  60.00   70
 20  ω     54.00  80.00   0.50    0.70    --  102.99 -99.00   0.00   52
 21  ω     70.00 115.00   0.50    0.10    --   47.87-172.00  88.00   90
 22  ω     57.00 145.00   0.50    0.70    --  102.99-172.00  88.00  176
 23  ω     38.00  85.00   0.50    0.70    --  102.99 -99.00 150.00   94
 24  ω     76.00 101.00   0.50    0.70    --  102.99 -99.00 -90.00   50
 25  ω     35.00  60.00   0.50    0.70    --  102.99 -99.00 -90.00   50
 26  ω     46.00  71.00   0.50    0.70    --  102.99-115.00-130.00   50
 27  ω     13.00  89.00   0.50    0.10    --   47.87-115.00-130.00  152
 28  ω     81.00 106.00   0.50    0.70    --  102.99 -99.00   0.00   50
 29  ω     40.00 106.00   0.50    0.70    --  102.99 -99.00  60.00  132
 30  ω     57.00 106.00   0.50    0.70    --  102.99 -99.00 120.00   98
 31  ω    -91.00 -65.00   0.50    0.10    --  -47.87 172.00  99.00   52
 32  ω   -145.00 -37.00   0.50    0.70    --  -99.00 172.00  99.00  216
 33  ω   -110.00 -85.00   0.50    0.70    --  -99.00 125.00  60.00   50
 34  ω    -80.00 -54.00   0.50    0.70    --  -99.00 125.00  60.00   52
 35  ω    -62.00 -34.00   0.50    0.10    --  -47.87 115.00 -40.00   56
 36  ω   -100.00 -62.00   0.50    0.70    --  -99.00 115.00 -40.00   76
 37  ω   -108.00 -50.00   0.50    0.70    --  -99.00 109.00 -90.65  116
 38  ω   -169.00 -91.00   0.50    0.70    --  -99.00 -38.00 -60.00  156
 39  ω   -169.00-143.00   0.50    0.70    --  -99.00 -57.00 -90.00   52
 40  ω   -137.00-111.00   0.50    0.70    --  -99.00 -57.00 -90.00   52
 41  ω   -171.00 -86.00   0.50    0.70    --  -99.00 -57.00  90.00  170
 42  ω   -121.00 -96.00   0.50    0.70    --  -99.00-172.00  88.00   50
 43  ω   -138.00-112.00   0.50    0.70    --  -99.00-115.00-130.00   52
 44  ω   -139.00-113.00   0.50    0.70    --  -99.00 -99.00-180.00   52
 45  ω   -168.00-143.00   0.50    0.70    --  -99.00 -99.00-180.00   50
 46  ω    -83.00 -52.00   0.50    0.10    --  -47.87-172.00  88.00   62
 47  ω   -120.00 -75.00   0.50    0.10    --  -47.87-125.00 120.00   90
 48  ω   -119.00 -81.00   0.50    0.10    --  -47.87-125.00-120.00   76
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1203480000
_diffrn_orient_matrix_UB_12      0.0435727000
_diffrn_orient_matrix_UB_13      0.0074913000
_diffrn_orient_matrix_UB_21      -0.0195948000
_diffrn_orient_matrix_UB_22      0.0669498000
_diffrn_orient_matrix_UB_23      -0.1091665000
_diffrn_orient_matrix_UB_31      -0.0215964000
_diffrn_orient_matrix_UB_32      -0.0889112000
_diffrn_orient_matrix_UB_33      -0.0190098000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.358
_reflns_Friedel_fraction_full    0.377
_reflns_Friedel_fraction_max     0.340
_reflns_number_gt                12074
_reflns_number_total             13766
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.045
_refine_diff_density_min         -1.216
_refine_diff_density_rms         0.076
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.045(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1373
_refine_ls_number_reflns         13766
_refine_ls_number_restraints     993
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0494
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.057
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0738P)²+2.3994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1343
_refine_ls_wR_factor_ref         0.1405
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.95535
 0.04465
2. Restrained distances
 C6-C75 \\sim C6-C27
 with sigma of 0.02
 C34-C134 \\sim C121-C31
 with sigma of 0.04
 C106-C122 \\sim C17-C137
 with sigma of 0.04
 C106-C39 \\sim C17-C39
 with sigma of 0.04
 C22-C94 \\sim C113-C7
 with sigma of 0.02
 C106-C23 \\sim C17-C67
 with sigma of 0.04
 C42-C52 \\sim C127-C2
 with sigma of 0.02
 C22-C75 \\sim C113-C27
 with sigma of 0.02
 C74-C106 \\sim C135-C17
 with sigma of 0.02
 C94-C85 \\sim C7-C111
 with sigma of 0.02
 C75-C11 \\sim C27-C109
 with sigma of 0.02
 C46-C134 \\sim C46-C31
 with sigma of 0.04
 C85-C107 \\sim C111-C55
 with sigma of 0.02
 C42-C19 \\sim C127-C65
 with sigma of 0.04
 C11-C107 \\sim C109-C55
 with sigma of 0.02
 C6-C22 \\sim C6-C113
 with sigma of 0.04
 C6-C11 \\sim C6-C109
 with sigma of 0.04
 C22-C85 \\sim C113-C111
 with sigma of 0.04
 C22-C11 \\sim C113-C109
 with sigma of 0.04
 C18-C20 \\sim C63-C20
 with sigma of 0.04
 C26-C124 \\sim C15-C123
 with sigma of 0.02
 C94-C75 \\sim C7-C27
 with sigma of 0.04
 C34-C49 \\sim C121-C125
 with sigma of 0.02
 C94-C107 \\sim C7-C55
 with sigma of 0.04
 C48-C124 \\sim C61-C123
 with sigma of 0.02
 C75-C107 \\sim C27-C55
 with sigma of 0.04
 C26-C48 \\sim C15-C61
 with sigma of 0.04
 C85-C11 \\sim C111-C109
 with sigma of 0.04
 C18-C87 \\sim C63-C131
 with sigma of 0.02
 C69-C19 \\sim C129-C65
 with sigma of 0.02
 C18-C69 \\sim C63-C129
 with sigma of 0.04
 C16-C89 \\sim C57-C29
 with sigma of 0.02
 C52-C69 \\sim C2-C129
 with sigma of 0.04
 C16-C91 \\sim C57-C91
 with sigma of 0.02
 C16-C51 \\sim C57-C119
 with sigma of 0.02
 C83-C51 \\sim C115-C119
 with sigma of 0.02
 C26-C34 \\sim C15-C121
 with sigma of 0.02
 C83-C105 \\sim C115-C59
 with sigma of 0.02
 C89-C13 \\sim C29-C117
 with sigma of 0.02
 C46-C48 \\sim C46-C61
 with sigma of 0.02
 C48-C134 \\sim C61-C31
 with sigma of 0.02
 C134-C49 \\sim C31-C125
 with sigma of 0.02
 C13-C105 \\sim C117-C59
 with sigma of 0.02
 C26-C49 \\sim C15-C125
 with sigma of 0.04
 C16-C83 \\sim C57-C115
 with sigma of 0.04
 C16-C13 \\sim C57-C117
 with sigma of 0.04
 C34-C124 \\sim C121-C123
 with sigma of 0.04
 C83-C13 \\sim C115-C117
 with sigma of 0.04
 C46-C124 \\sim C46-C123
 with sigma of 0.04
 C48-C49 \\sim C61-C125
 with sigma of 0.04
 C124-C134 \\sim C123-C31
 with sigma of 0.04
 C89-C91 \\sim C29-C91
 with sigma of 0.04
 C89-C51 \\sim C29-C119
 with sigma of 0.04
 C89-C105 \\sim C29-C59
 with sigma of 0.04
 C18-C42 \\sim C63-C127
 with sigma of 0.02
 C91-C51 \\sim C91-C119
 with sigma of 0.04
 C20-C42 \\sim C20-C127
 with sigma of 0.02
 C51-C105 \\sim C119-C59
 with sigma of 0.04
 C52-C19 \\sim C2-C65
 with sigma of 0.02
 C69-C87 \\sim C129-C131
 with sigma of 0.02
 C18-C52 \\sim C63-C2
 with sigma of 0.04
 C20-C52 \\sim C20-C2
 with sigma of 0.04
 C42-C87 \\sim C127-C131
 with sigma of 0.04
 C19-C87 \\sim C65-C131
 with sigma of 0.04
 C122-C23 \\sim C137-C67
 with sigma of 0.04
 C39-C23 \\sim C39-C67
 with sigma of 0.04
 C71-C23 \\sim C71-C67
 with sigma of 0.04
 C74-C23 \\sim C135-C67
 with sigma of 0.02
 C71-C93 \\sim C71-C33
 with sigma of 0.02
 C73-C39 \\sim C133-C39
 with sigma of 0.02
 C73-C23 \\sim C133-C67
 with sigma of 0.02
 C23-C93 \\sim C67-C33
 with sigma of 0.02
 C122-C39 \\sim C137-C39
 with sigma of 0.04
 C74-C73 \\sim C135-C133
 with sigma of 0.04
 C74-C93 \\sim C135-C33
 with sigma of 0.04
 C73-C93 \\sim C133-C33
 with sigma of 0.04
 C74-C39 \\sim C135-C39
 with sigma of 0.02
 C74-C122 \\sim C135-C137
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C74 \\sim C106 \\sim C122 \\sim C71 \\sim C73 \\sim C39 \\sim C23 \\sim C93
\\sim C3 \\sim C33 \\sim C133 \\sim C67 \\sim C135 \\sim C17 \\sim C137: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C22 \\sim C94 \\sim C75 \\sim C85 \\sim C11 \\sim C107 \\sim C27 \\sim C109
\\sim C55 \\sim C111 \\sim C7 \\sim C113: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
C26 \\sim C34 \\sim C48 \\sim C124 \\sim C134 \\sim C49 \\sim C15 \\sim C121
\\sim C61 \\sim C123 \\sim C31 \\sim C125: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
C16 \\sim C83 \\sim C89 \\sim C51 \\sim C13 \\sim C105 \\sim C57 \\sim C115
\\sim C29 \\sim C117 \\sim C59 \\sim C119: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
C18 \\sim C42 \\sim C52 \\sim C69 \\sim C19 \\sim C87 \\sim C63 \\sim C127
\\sim C2 \\sim C129 \\sim C65 \\sim C131: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
4. Others
 Sof(C55)=Sof(H55)=Sof(C109)=Sof(H109)=Sof(C27)=Sof(C113)=Sof(H113)=Sof(C7)=
 Sof(H7)=Sof(C111)=Sof(H111)=1-FVAR(1)
 Sof(C22)=Sof(H22)=Sof(C94)=Sof(H94)=Sof(C85)=Sof(H85)=Sof(C107)=Sof(H107)=
 Sof(C11)=Sof(H11)=Sof(C75)=FVAR(1)
 Sof(C57)=Sof(C119)=Sof(H119)=Sof(C115)=Sof(H115)=Sof(C59)=Sof(H59)=Sof(C117)=
 Sof(H117)=Sof(C29)=Sof(H29)=1-FVAR(2)
 Sof(C16)=Sof(C89)=Sof(H89)=Sof(C13)=Sof(H13)=Sof(C105)=Sof(H105)=Sof(C83)=
 Sof(H83)=Sof(C51)=Sof(H51)=FVAR(2)
 Sof(C15)=Sof(H15)=Sof(C123)=Sof(H123)=Sof(C61)=Sof(C31)=Sof(H31)=Sof(C125)=
 Sof(H125)=Sof(C121)=Sof(H121)=1-FVAR(3)
 Sof(C48)=Sof(C134)=Sof(H134)=Sof(C49)=Sof(H49)=Sof(C34)=Sof(H34)=Sof(C26)=
 Sof(H26)=Sof(C124)=Sof(H124)=FVAR(3)
 Sof(C63)=Sof(H63)=Sof(C131)=Sof(H131)=Sof(C129)=Sof(H129)=Sof(C65)=Sof(H65)=
 Sof(C2)=Sof(H2)=Sof(C127)=1-FVAR(4)
 Sof(C18)=Sof(H18)=Sof(C87)=Sof(H87)=Sof(C69)=Sof(H69)=Sof(C19)=Sof(H19)=
 Sof(C52)=Sof(H52)=Sof(C42)=FVAR(4)
 Sof(H39A)=Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(C133)=Sof(H13A)=Sof(H13B)=Sof(C67)=
 Sof(H67)=Sof(C135)=Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(H17C)=Sof(C137)=Sof(H13C)=
 Sof(H13D)=Sof(H13E)=1-FVAR(5)
 Sof(C74)=Sof(C106)=Sof(H10C)=Sof(H10D)=Sof(H10E)=Sof(C122)=Sof(H12A)=
 Sof(H12B)=Sof(H12C)=Sof(C73)=Sof(H73A)=Sof(H73B)=Sof(H39)=Sof(C23)=Sof(H23)=
 Sof(C93)=Sof(H93A)=Sof(H93B)=FVAR(5)
5.a Ternary CH refined with riding coordinates:
 C39(H39), C39(H39A), C21(H21), C23(H23), C99(H99), C67(H67)
5.b Secondary CH2 refined with riding coordinates:
 C104(H10A,H10B), C73(H73A,H73B), C93(H93A,H93B), C103(H10F,H10G), C33(H33A,
 H33B), C133(H13A,H13B)
5.c Me refined with riding coordinates:
 C106(H10C,H10D,H10E), C17(H17A,H17B,H17C)
5.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C89(H89), C13(H13), C105(H105), C83(H83), C51(H51), C18(H18),
 C87(H87), C69(H69), C19(H19), C52(H52), C22(H22), C94(H94), C85(H85),
 C107(H107), C11(H11), C24(H24), C116(H116), C120(H120), C88(H88), C98(H98),
 C134(H134), C49(H49), C34(H34), C26(H26), C124(H124), C50(H50), C62(H62),
 C8(H8), C14(H14), C68(H68), C54(H54), C110(H110), C4(H4), C86(H86), C108(H108),
  C60(H60), C70(H70), C32(H32), C78(H78), C12(H12), C43(H43), C72(H72),
 C92(H92), C112(H112), C126(H126), C130(H130), C132(H132), C9(H9), C37(H37),
 C79(H79), C76(H76), C138(H138), C136(H136), C81(H81), C128(H128), C114(H114),
 C118(H118), C30(H30), C41(H41), C97(H97), C25(H25), C55(H55), C109(H109),
 C113(H113), C7(H7), C111(H111), C119(H119), C115(H115), C59(H59), C117(H117),
 C29(H29), C15(H15), C123(H123), C31(H31), C125(H125), C121(H121), C63(H63),
 C131(H131), C129(H129), C65(H65), C2(H2)
5.e Fitted hexagon refined as free rotating group:
 C16(C89,C13,C105,C83,C51), C18(C87,C69,C19,C52,C42), C22(C94,C85,C107,C11,
 C75), C24(C116,C120,C88,C98,C102), C48(C134,C49,C34,C26,C124), C62(C90,C8,C14,
 C68,C54), C64(C110,C4,C86,C108,C60), C70(C32,C78,C38,C12,C43), C37(C79,C76,
 C138,C136,C40), C81(C128,C114,C118,C30,C10), C55(C109,C27,C113,C7,C111),
 C57(C119,C115,C59,C117,C29), C15(C123,C61,C31,C125,C121), C63(C131,C129,C65,C2,
 C127)
5.f Idealised Me refined as rotating group:
 C84(H84A,H84B,H84C), C122(H12A,H12B,H12C), C47(H47A,H47B,H47C), C137(H13C,
 H13D,H13E)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.51778(3) 0.68935(3) 0.42487(3) 0.03968(19) Uani 1 1 d . . . . .
Eu2 Eu 0.48112(3) 0.25745(3) 0.58106(3) 0.04097(19) Uani 1 1 d . . . . .
Ti1 Ti 0.44419(19) 0.49105(19) 0.63689(18) 0.0441(6) Uani 1 1 d . . . . .
Ti4 Ti 0.65702(19) 0.41359(19) 0.59527(18) 0.0435(5) Uani 1 1 d . . . . .
Ti2 Ti 0.34364(19) 0.53258(18) 0.40991(18) 0.0422(5) Uani 1 1 d . . . . .
Ti3 Ti 0.55740(19) 0.45478(18) 0.36861(17) 0.0420(5) Uani 1 1 d . . . . .
O1 O 0.2531(7) 0.6828(7) 0.3531(7) 0.056(2) Uani 1 1 d . . . . .
O4 O 0.5354(7) 0.3682(7) 0.6329(6) 0.0445(19) Uani 1 1 d . . . . .
O6 O 0.2208(6) 0.4735(7) 0.4241(6) 0.0434(18) Uani 1 1 d . . . . .
O8 O 0.4021(8) 0.2547(7) 0.7265(6) 0.050(2) Uani 1 1 d . . . . .
O10 O 0.5531(6) 0.5455(7) 0.5734(6) 0.0426(18) Uani 1 1 d . . . . .
O12 O 0.7091(7) 0.6281(8) 0.4609(6) 0.051(2) Uani 1 1 d . . . . .
O14 O 0.3118(7) 0.5507(7) 0.2670(6) 0.049(2) Uani 1 1 d . . . . .
O16 O 0.6510(7) 0.4227(8) 0.4740(7) 0.050(2) Uani 1 1 d . . . . .
O18 O 0.6441(8) 0.1571(7) 0.6929(7) 0.052(2) Uani 1 1 d . . . . .
O20 O 0.4762(7) 0.4799(7) 0.2370(6) 0.047(2) Uani 1 1 d . . . . .
O22 O 0.3524(8) 0.4144(7) 0.7254(7) 0.056(2) Uani 1 1 d . . . . .
O24 O 0.6425(7) 0.3193(7) 0.3605(6) 0.048(2) Uani 1 1 d . . . . .
C1 C 0.3872(14) 0.2407(13) 0.3753(10) 0.068(4) Uani 1 1 d . . . . .
H1 H 0.414337 0.297473 0.347071 0.081 Uiso 1 1 calc R U . . .
O26 O 0.6250(8) 0.1965(7) 0.4965(7) 0.058(2) Uani 1 1 d . . . . .
O13 O 0.5284(7) 0.4637(7) 0.7694(6) 0.049(2) Uani 1 1 d . . . . .
C6 C 0.6559(11) 0.6255(10) 0.2534(10) 0.048(3) Uani 1 1 d D . . . .
O7 O 0.3675(6) 0.7450(7) 0.5058(6) 0.047(2) Uani 1 1 d . . . . .
O15 O 0.3592(7) 0.6259(7) 0.6498(6) 0.0476(19) Uani 1 1 d . . . . .
N1 N 0.4073(10) 0.1847(9) 0.4721(7) 0.056(3) Uani 1 1 d . . . . .
O2 O 0.6454(7) 0.5367(8) 0.2791(7) 0.054(2) Uani 1 1 d . . . . .
N4 N 0.4503(8) 0.0804(7) 0.6636(7) 0.044(2) Uani 1 1 d . . . . .
O17 O 0.3508(7) 0.5274(8) 0.5307(7) 0.052(2) Uani 1 1 d . . . . .
O9 O 0.3585(7) 0.7866(7) 0.3123(6) 0.048(2) Uani 1 1 d . . . . .
C16 C 0.2677(13) 0.3049(12) 0.8211(11) 0.063(4) Uani 0.623(13) 1 d DG U P A 1
C89 C 0.2098(14) 0.3835(10) 0.8484(12) 0.076(4) Uani 0.623(13) 1 d DG U P A 1
H89 H 0.218691 0.450189 0.820375 0.091 Uiso 0.623(13) 1 calc R U P A 1
C13 C 0.1387(13) 0.3644(11) 0.9168(12) 0.087(5) Uani 0.623(13) 1 d DG U P A 1
H13 H 0.099127 0.418161 0.935459 0.104 Uiso 0.623(13) 1 calc R U P A 1
C105 C 0.1257(13) 0.2668(12) 0.9578(12) 0.091(5) Uani 0.623(13) 1 d DG U P A 1
H105 H 0.077140 0.253798 1.004540 0.109 Uiso 0.623(13) 1 calc R U P A 1
C83 C 0.1836(13) 0.1882(10) 0.9305(12) 0.088(5) Uani 0.623(13) 1 d DG U P A 1
H83 H 0.174717 0.121462 0.958539 0.106 Uiso 0.623(13) 1 calc R U P A 1
C51 C 0.2547(12) 0.2072(10) 0.8621(12) 0.075(4) Uani 0.623(13) 1 d DG U P A 1
H51 H 0.294282 0.153488 0.843455 0.090 Uiso 0.623(13) 1 calc R U P A 1
N6 N 0.5253(9) 0.8755(8) 0.3450(7) 0.051(2) Uani 1 1 d . . . . .
C18 C 0.1879(17) 0.9566(15) 0.210(2) 0.069(5) Uani 0.56(5) 1 d DG U P B 1
H18 H 0.246213 0.967162 0.237685 0.083 Uiso 0.56(5) 1 calc R U P B 1
C87 C 0.108(2) 1.0409(15) 0.144(2) 0.075(5) Uani 0.56(5) 1 d DG U P B 1
H87 H 0.112092 1.109154 0.126544 0.090 Uiso 0.56(5) 1 calc R U P B 1
C69 C 0.023(2) 1.025(2) 0.1039(15) 0.077(5) Uani 0.56(5) 1 d DG U P B 1
H69 H -0.031468 1.083137 0.058765 0.093 Uiso 0.56(5) 1 calc R U P B 1
C19 C 0.0174(18) 0.926(3) 0.130(2) 0.075(5) Uani 0.56(5) 1 d DG U P B 1
H19 H -0.040910 0.915129 0.102126 0.090 Uiso 0.56(5) 1 calc R U P B 1
C52 C 0.0970(17) 0.8413(19) 0.196(2) 0.070(4) Uani 0.56(5) 1 d DG U P B 1
H52 H 0.093209 0.773136 0.213266 0.084 Uiso 0.56(5) 1 calc R U P B 1
C42 C 0.1823(16) 0.8568(14) 0.2359(16) 0.061(4) Uani 0.56(5) 1 d DG U P B 1
O19 O 0.4483(6) 0.4011(6) 0.4328(6) 0.0399(17) Uani 1 1 d . . . . .
O5 O 0.6932(7) 0.3906(7) 0.7401(6) 0.049(2) Uani 1 1 d . . . . .
C20 C 0.2743(10) 0.7674(10) 0.3056(9) 0.046(3) Uani 1 1 d D . . . .
C22 C 0.782(3) 0.597(3) 0.136(3) 0.099(5) Uani 0.423(16) 1 d DG U P C 1
H22 H 0.749179 0.550448 0.128820 0.119 Uiso 0.423(16) 1 calc R U P C 1
C94 C 0.871(3) 0.612(3) 0.089(2) 0.108(6) Uani 0.423(16) 1 d DG U P C 1
H94 H 0.898079 0.576727 0.048713 0.130 Uiso 0.423(16) 1 calc R U P C 1
C85 C 0.920(2) 0.680(2) 0.100(2) 0.109(6) Uani 0.423(16) 1 d DG U P C 1
H85 H 0.980104 0.691092 0.067314 0.131 Uiso 0.423(16) 1 calc R U P C 1
C107 C 0.880(2) 0.733(2) 0.158(2) 0.106(6) Uani 0.423(16) 1 d DG U P C 1
H107 H 0.913230 0.779180 0.166022 0.127 Uiso 0.423(16) 1 calc R U P C 1
C11 C 0.791(3) 0.717(2) 0.206(2) 0.101(6) Uani 0.423(16) 1 d DG U P C 1
H11 H 0.764330 0.752903 0.246129 0.121 Uiso 0.423(16) 1 calc R U P C 1
C75 C 0.743(2) 0.649(3) 0.195(2) 0.093(5) Uani 0.423(16) 1 d DG U P C 1
C24 C 0.7898(7) 0.0447(6) 0.4616(5) 0.067(3) Uani 1 1 d G . . . .
H24 H 0.758959 0.022229 0.519987 0.080 Uiso 1 1 calc R U . . .
C116 C 0.8656(7) -0.0271(5) 0.4366(6) 0.077(4) Uani 1 1 d G . . . .
H116 H 0.886530 -0.098672 0.477926 0.092 Uiso 1 1 calc R U . . .
C120 C 0.9106(7) 0.0059(6) 0.3512(7) 0.067(3) Uani 1 1 d G . . . .
H120 H 0.962426 -0.043220 0.334080 0.081 Uiso 1 1 calc R U . . .
C88 C 0.8799(8) 0.1106(7) 0.2907(6) 0.091(5) Uani 1 1 d G . . . .
H88 H 0.910752 0.133133 0.232293 0.109 Uiso 1 1 calc R U . . .
C98 C 0.8042(8) 0.1824(5) 0.3157(6) 0.073(4) Uani 1 1 d G . . . .
H98 H 0.783182 0.254035 0.274352 0.088 Uiso 1 1 calc R U . . .
C102 C 0.7591(6) 0.1495(5) 0.4011(6) 0.046(3) Uani 1 1 d G . . . .
C28 C 0.3286(11) 0.7168(10) 0.5808(10) 0.050(3) Uani 1 1 d . . . . .
N3 N 0.5770(9) 0.7685(8) 0.5358(8) 0.050(2) Uani 1 1 d . . . . .
C36 C 0.3739(12) 0.5214(10) 0.2151(9) 0.048(3) Uani 1 1 d . . . . .
C44 C 0.6264(10) 0.4218(10) 0.7928(9) 0.046(3) Uani 1 1 d . . . . .
C46 C 0.7314(10) 0.1734(11) 0.6987(9) 0.046(3) Uani 1 1 d D . . . .
C48 C 0.8295(13) 0.1002(12) 0.7609(17) 0.047(4) Uani 0.479(18) 1 d DG U P D 1
C134 C 0.8392(13) -0.0044(13) 0.8074(16) 0.052(4) Uani 0.479(18) 1 d DG U P D 1
H134 H 0.782437 -0.028855 0.797345 0.062 Uiso 0.479(18) 1 calc R U P D 1
C49 C 0.9318(14) -0.0733(10) 0.8686(15) 0.062(4) Uani 0.479(18) 1 d DG U P D 1
H49 H 0.938345 -0.144775 0.900359 0.075 Uiso 0.479(18) 1 calc R U P D 1
C34 C 1.0148(11) -0.0376(13) 0.8833(13) 0.067(5) Uani 0.479(18) 1 d DG U P D 1
H34 H 1.078070 -0.084628 0.925089 0.081 Uiso 0.479(18) 1 calc R U P D 1
C26 C 1.0052(12) 0.0670(14) 0.8368(14) 0.063(4) Uani 0.479(18) 1 d DG U P D 1
H26 H 1.061889 0.091440 0.846808 0.076 Uiso 0.479(18) 1 calc R U P D 1
C124 C 0.9126(14) 0.1359(10) 0.7756(16) 0.056(4) Uani 0.479(18) 1 d DG U P D 1
H124 H 0.905981 0.207362 0.743794 0.067 Uiso 0.479(18) 1 calc R U P D 1
C50 C 0.5066(9) 0.9238(9) 0.2490(9) 0.044(3) Uani 1 1 d . . . . .
H50 H 0.480929 0.890680 0.215099 0.053 Uiso 1 1 calc R U . . .
C56 C 0.2159(11) 0.3878(11) 0.4865(9) 0.048(3) Uani 1 1 d . . . . .
C58 C 0.7857(9) 0.5603(10) 0.5235(8) 0.042(3) Uani 1 1 d . . . . .
O21 O 0.6018(7) 0.6938(7) 0.2824(6) 0.048(2) Uani 1 1 d . . . . .
C62 C 0.2252(8) 0.6048(8) 0.0820(8) 0.082(5) Uani 1 1 d G . . . .
H62 H 0.186768 0.642474 0.117160 0.098 Uiso 1 1 calc R U . . .
C90 C 0.3273(8) 0.5347(8) 0.1196(5) 0.059(4) Uani 1 1 d G . . . .
C8 C 0.3835(7) 0.4796(8) 0.0681(7) 0.068(4) Uani 1 1 d G . . . .
H8 H 0.453322 0.431650 0.093886 0.081 Uiso 1 1 calc R U . . .
C14 C 0.3376(10) 0.4947(10) -0.0210(7) 0.084(5) Uani 1 1 d G . . . .
H14 H 0.376015 0.457072 -0.056210 0.101 Uiso 1 1 calc R U . . .
C68 C 0.2355(10) 0.5649(10) -0.0587(6) 0.091(6) Uani 1 1 d G . . . .
H68 H 0.204085 0.575194 -0.119622 0.110 Uiso 1 1 calc R U . . .
C54 C 0.1793(8) 0.6199(9) -0.0072(8) 0.093(6) Uani 1 1 d G . . . .
H54 H 0.109460 0.667895 -0.032939 0.112 Uiso 1 1 calc R U . . .
C64 C 0.8867(5) 0.5847(6) 0.5287(6) 0.045(2) Uani 1 1 d G . . . .
C110 C 0.9730(6) 0.5139(6) 0.5970(6) 0.054(3) Uani 1 1 d G . . . .
H110 H 0.965997 0.451045 0.642986 0.065 Uiso 1 1 calc R U . . .
C4 C 1.0696(6) 0.5351(7) 0.5979(7) 0.067(4) Uani 1 1 d G . . . .
H4 H 1.128637 0.486695 0.644607 0.081 Uiso 1 1 calc R U . . .
C86 C 1.0799(6) 0.6271(8) 0.5306(8) 0.072(5) Uani 1 1 d G . . . .
H86 H 1.145963 0.641561 0.531290 0.087 Uiso 1 1 calc R U . . .
C108 C 0.9936(7) 0.6979(6) 0.4624(7) 0.070(4) Uani 1 1 d G . . . .
H108 H 1.000650 0.760778 0.416351 0.084 Uiso 1 1 calc R U . . .
C60 C 0.8970(6) 0.6767(6) 0.4614(6) 0.061(3) Uani 1 1 d G . . . .
H60 H 0.838009 0.725130 0.414728 0.073 Uiso 1 1 calc R U . . .
C66 C 0.5583(9) 0.9239(8) 0.3944(8) 0.050(2) Uani 1 1 d . . . . .
C70 C -0.0763(6) 0.3181(9) 0.4692(10) 0.080(5) Uani 1 1 d G . . . .
H70 H -0.141157 0.302376 0.465501 0.096 Uiso 1 1 calc R U . . .
C32 C 0.0103(8) 0.2457(7) 0.5364(9) 0.087(6) Uani 1 1 d G . . . .
H32 H 0.004639 0.180464 0.578511 0.105 Uiso 1 1 calc R U . . .
C78 C 0.1051(6) 0.2687(6) 0.5418(7) 0.068(4) Uani 1 1 d G . . . .
H78 H 0.164311 0.219168 0.587714 0.081 Uiso 1 1 calc R U . . .
C38 C 0.1134(6) 0.3641(7) 0.4802(7) 0.048(3) Uani 1 1 d G . . . .
C12 C 0.0268(7) 0.4365(6) 0.4130(7) 0.059(3) Uani 1 1 d G . . . .
H12 H 0.032393 0.501696 0.370898 0.071 Uiso 1 1 calc R U . . .
C43 C -0.0681(6) 0.4135(8) 0.4076(8) 0.076(5) Uani 1 1 d G . . . .
H43 H -0.127279 0.462995 0.361693 0.091 Uiso 1 1 calc R U . . .
C72 C 0.6237(11) 0.7521(11) 0.6952(9) 0.062(3) Uani 1 1 d . . . . .
H72 H 0.640547 0.709771 0.762267 0.074 Uiso 1 1 calc R U . . .
C74 C 0.416(3) -0.1898(19) 0.971(2) 0.080(4) Uani 0.46(4) 1 d D U P E 1
C80 C 0.3649(11) 0.1069(9) 0.5130(8) 0.061(3) Uani 1 1 d . . . . .
C82 C 0.6715(9) 0.2277(10) 0.4213(8) 0.043(3) Uani 1 1 d . . . . .
O11 O 0.2921(7) 0.3234(8) 0.5500(7) 0.053(2) Uani 1 1 d . . . . .
C84 C 0.5960(18) 1.1492(15) -0.0626(12) 0.096(6) Uani 1 1 d . . . . .
H84A H 0.604192 1.090904 -0.081433 0.144 Uiso 1 1 calc R U . . .
H84B H 0.654844 1.178327 -0.083215 0.144 Uiso 1 1 calc R U . . .
H84C H 0.527154 1.202785 -0.093344 0.144 Uiso 1 1 calc R U . . .
O23 O 0.4674(7) 0.5762(7) 0.3715(6) 0.0447(19) Uani 1 1 d . . . . .
O3 O 0.7805(7) 0.4729(7) 0.5824(6) 0.0469(19) Uani 1 1 d . . . . .
C92 C 0.4661(11) 0.0378(9) 0.7586(8) 0.049(3) Uani 1 1 d . . . . .
H92 H 0.512134 0.057814 0.790714 0.059 Uiso 1 1 calc R U . . .
C96 C 0.5575(10) 1.0665(8) 0.2467(8) 0.059(3) Uani 1 1 d . . . . .
C104 C 0.4381(14) 1.1881(9) 0.0648(10) 0.078(5) Uani 1 1 d . . . . .
H10A H 0.388669 1.199404 0.112080 0.093 Uiso 1 1 calc R U . . .
H10B H 0.402298 1.227593 -0.002167 0.093 Uiso 1 1 calc R U . . .
C106 C 0.429(4) -0.232(3) 1.080(2) 0.089(9) Uani 0.46(4) 1 d D U P E 1
H10C H 0.390835 -0.177076 1.100520 0.134 Uiso 0.46(4) 1 calc R U P E 1
H10D H 0.399719 -0.289890 1.105352 0.134 Uiso 0.46(4) 1 calc R U P E 1
H10E H 0.505744 -0.256385 1.103723 0.134 Uiso 0.46(4) 1 calc R U P E 1
C112 C 0.3045(18) 0.0801(13) 0.4551(10) 0.104(7) Uani 1 1 d . . . . .
H112 H 0.273802 0.025970 0.484021 0.125 Uiso 1 1 calc R U . . .
O25 O 0.7460(7) 0.2609(7) 0.6489(7) 0.055(2) Uani 1 1 d . . . . .
C122 C 0.473(5) -0.270(3) 0.935(3) 0.093(9) Uani 0.46(4) 1 d D U P E 1
H12A H 0.457410 -0.242502 0.864838 0.139 Uiso 0.46(4) 1 calc R U P E 1
H12B H 0.448369 -0.331275 0.964226 0.139 Uiso 0.46(4) 1 calc R U P E 1
H12C H 0.550528 -0.290674 0.953048 0.139 Uiso 0.46(4) 1 calc R U P E 1
C126 C 0.3270(17) 0.2164(12) 0.3162(10) 0.088(6) Uani 1 1 d . . . . .
H126 H 0.311797 0.257654 0.248917 0.106 Uiso 1 1 calc R U . . .
C130 C 0.3339(14) -0.0201(11) 0.6707(9) 0.078(4) Uani 1 1 d . . . . .
H130 H 0.288500 -0.039983 0.637753 0.093 Uiso 1 1 calc R U . . .
C132 C 0.5971(12) 0.7140(11) 0.6312(9) 0.053(3) Uani 1 1 d . . . . .
H132 H 0.592834 0.645426 0.656192 0.064 Uiso 1 1 calc R U . . .
C35 C 0.5991(14) 1.1109(11) 0.0479(11) 0.074(4) Uani 1 1 d . . . . .
C71 C 0.3490(12) -0.0614(10) 0.7669(9) 0.074(3) Uani 1 1 d D U . . .
C9 C 0.290(2) 0.1335(13) 0.3554(11) 0.112(7) Uani 1 1 d . . . . .
H9 H 0.255608 0.112337 0.315315 0.135 Uiso 1 1 calc R U . . .
C73 C 0.300(2) -0.040(3) 0.947(3) 0.083(5) Uani 0.46(4) 1 d D U P E 1
H73A H 0.295135 -0.041522 1.012589 0.100 Uiso 0.46(4) 1 calc R U P E 1
H73B H 0.252913 0.026703 0.897836 0.100 Uiso 0.46(4) 1 calc R U P E 1
C37 C 0.6176(7) 0.4606(8) 0.9399(7) 0.070(4) Uani 1 1 d G . . . .
H37 H 0.547588 0.508143 0.914293 0.084 Uiso 1 1 calc R U . . .
C79 C 0.6639(9) 0.4466(8) 1.0285(7) 0.077(5) Uani 1 1 d G . . . .
H79 H 0.625542 0.484642 1.063443 0.092 Uiso 1 1 calc R U . . .
C76 C 0.7663(9) 0.3770(9) 1.0661(6) 0.077(5) Uani 1 1 d G . . . .
H76 H 0.797941 0.367458 1.126626 0.092 Uiso 1 1 calc R U . . .
C138 C 0.8224(7) 0.3214(9) 1.0150(7) 0.096(7) Uani 1 1 d G . . . .
H138 H 0.892387 0.273776 1.040661 0.115 Uiso 1 1 calc R U . . .
C136 C 0.7761(8) 0.3353(9) 0.9264(7) 0.080(5) Uani 1 1 d G . . . .
H136 H 0.814435 0.297276 0.891511 0.096 Uiso 1 1 calc R U . . .
C40 C 0.6737(8) 0.4049(8) 0.8889(5) 0.054(3) Uani 1 1 d G . . . .
C77 C 0.5795(10) 0.8674(9) 0.5011(8) 0.055(3) Uani 1 1 d . . . . .
C39 C 0.4199(13) -0.0750(11) 0.9214(9) 0.076(3) Uani 1 1 d D U . . .
H39 H 0.473854 -0.059325 0.954971 0.091 Uiso 0.46(4) 1 calc R U P E 1
H39A H 0.458076 -0.045988 0.955776 0.091 Uiso 0.54(4) 1 calc R U P E 2
C81 C 0.1813(7) 0.8877(7) 0.5214(5) 0.067(3) Uani 1 1 d G . . . .
H81 H 0.209714 0.906311 0.461413 0.080 Uiso 1 1 calc R U . . .
C128 C 0.0924(7) 0.9577(5) 0.5358(7) 0.080(4) Uani 1 1 d G . . . .
H128 H 0.060039 1.024126 0.485692 0.096 Uiso 1 1 calc R U . . .
C114 C 0.0508(7) 0.9306(7) 0.6236(8) 0.088(5) Uani 1 1 d G . . . .
H114 H -0.009957 0.978392 0.633505 0.106 Uiso 1 1 calc R U . . .
C118 C 0.0981(8) 0.8334(8) 0.6970(6) 0.081(5) Uani 1 1 d G . . . .
H118 H 0.069723 0.814843 0.757040 0.097 Uiso 1 1 calc R U . . .
C30 C 0.1870(7) 0.7634(6) 0.6826(6) 0.068(4) Uani 1 1 d G . . . .
H30 H 0.219398 0.697027 0.732763 0.081 Uiso 1 1 calc R U . . .
C10 C 0.2286(6) 0.7906(6) 0.5948(6) 0.053(3) Uani 1 1 d G . . . .
C41 C 0.6252(12) 0.8529(11) 0.6594(9) 0.071(3) Uani 1 1 d . . . . .
H41 H 0.641797 0.882122 0.701445 0.085 Uiso 1 1 calc R U . . .
C21 C 0.5005(10) 1.0742(9) 0.0886(8) 0.062(3) Uani 1 1 d . . . . .
H21 H 0.470893 1.040442 0.053241 0.074 Uiso 1 1 calc R U . . .
C45 C 0.3851(11) 0.0530(9) 0.6175(8) 0.056(3) Uani 1 1 d . . . . .
C91 C 0.3483(10) 0.3237(11) 0.7503(8) 0.046(3) Uani 1 1 d D . . . .
C23 C 0.289(3) -0.135(3) 0.9365(19) 0.081(4) Uani 0.46(4) 1 d D U P E 1
H23 H 0.240986 -0.169135 0.979014 0.097 Uiso 0.46(4) 1 calc R U P E 1
C93 C 0.269(3) -0.112(3) 0.8295(17) 0.081(5) Uani 0.46(4) 1 d D U P E 1
H93A H 0.194680 -0.064926 0.804292 0.097 Uiso 0.46(4) 1 calc R U P E 1
H93B H 0.274631 -0.177637 0.822623 0.097 Uiso 0.46(4) 1 calc R U P E 1
C47 C 0.7122(13) 1.0439(15) 0.0942(13) 0.092(5) Uani 1 1 d . . . . .
H47A H 0.712767 1.011719 0.164226 0.138 Uiso 1 1 calc R U . . .
H47B H 0.759962 1.086901 0.079048 0.138 Uiso 1 1 calc R U . . .
H47C H 0.737178 0.989719 0.069239 0.138 Uiso 1 1 calc R U . . .
C95 C 0.5213(8) 1.0179(8) 0.1951(7) 0.048(2) Uani 1 1 d . . . . .
C3 C 0.4182(12) -0.0356(10) 0.8142(8) 0.064(3) Uani 1 1 d . U . . .
C97 C 0.6026(11) 0.9099(9) 0.5630(9) 0.067(3) Uani 1 1 d . . . . .
H97 H 0.602737 0.979911 0.537597 0.080 Uiso 1 1 calc R U . . .
C99 C 0.5527(15) 1.1998(11) 0.0817(10) 0.077(4) Uani 1 1 d . . . . .
H99 H 0.561400 1.267921 0.039322 0.092 Uiso 1 1 calc R U . . .
C25 C 0.5748(11) 1.0187(8) 0.3470(8) 0.065(3) Uani 1 1 d . . . . .
H25 H 0.598000 1.051364 0.382913 0.078 Uiso 1 1 calc R U . . .
C103 C 0.5792(13) 1.1681(10) 0.1901(9) 0.076(4) Uani 1 1 d . . . . .
H10F H 0.655782 1.160009 0.204593 0.091 Uiso 1 1 calc R U . . .
H10G H 0.534742 1.223010 0.209458 0.091 Uiso 1 1 calc R U . . .
C55 C 0.781(2) 0.7786(13) 0.0504(15) 0.105(5) Uani 0.577(16) 1 d DG U P C 2
H55 H 0.783139 0.847848 0.019491 0.126 Uiso 0.577(16) 1 calc R U P C 2
C109 C 0.729(2) 0.7506(14) 0.1323(16) 0.094(5) Uani 0.577(16) 1 d DG U P C 2
H109 H 0.695525 0.800669 0.157364 0.113 Uiso 0.577(16) 1 calc R U P C 2
C27 C 0.727(2) 0.6493(16) 0.1776(15) 0.092(5) Uani 0.577(16) 1 d DG U P C 2
C113 C 0.776(2) 0.5761(14) 0.1409(17) 0.096(5) Uani 0.577(16) 1 d DG U P C 2
H113 H 0.774596 0.506859 0.171846 0.115 Uiso 0.577(16) 1 calc R U P C 2
C7 C 0.828(2) 0.6041(15) 0.0590(16) 0.103(5) Uani 0.577(16) 1 d DG U P C 2
H7 H 0.862210 0.554036 0.033973 0.124 Uiso 0.577(16) 1 calc R U P C 2
C111 C 0.831(2) 0.7054(16) 0.0138(13) 0.108(5) Uani 0.577(16) 1 d DG U P C 2
H111 H 0.866483 0.724530 -0.042206 0.129 Uiso 0.577(16) 1 calc R U P C 2
C57 C 0.2549(17) 0.295(2) 0.799(2) 0.070(5) Uani 0.377(13) 1 d DG U P A 2
C119 C 0.202(2) 0.345(2) 0.856(2) 0.078(5) Uani 0.377(13) 1 d DG U P A 2
H119 H 0.231539 0.388846 0.873220 0.093 Uiso 0.377(13) 1 calc R U P A 2
C115 C 0.105(2) 0.332(2) 0.887(2) 0.085(5) Uani 0.377(13) 1 d DG U P A 2
H115 H 0.068892 0.366050 0.925722 0.102 Uiso 0.377(13) 1 calc R U P A 2
C59 C 0.0616(15) 0.268(2) 0.862(2) 0.091(5) Uani 0.377(13) 1 d DG U P A 2
H59 H -0.004406 0.259061 0.883007 0.109 Uiso 0.377(13) 1 calc R U P A 2
C117 C 0.1147(19) 0.2183(19) 0.805(2) 0.084(5) Uani 0.377(13) 1 d DG U P A 2
H117 H 0.084944 0.174866 0.787790 0.100 Uiso 0.377(13) 1 calc R U P A 2
C29 C 0.2113(19) 0.232(2) 0.7739(19) 0.076(5) Uani 0.377(13) 1 d DG U P A 2
H29 H 0.247592 0.197660 0.735287 0.091 Uiso 0.377(13) 1 calc R U P A 2
C15 C 0.9870(12) 0.0167(14) 0.8639(13) 0.063(4) Uani 0.521(18) 1 d DG U P D 2
H15 H 1.047737 0.027777 0.886888 0.076 Uiso 0.521(18) 1 calc R U P D 2
C123 C 0.9045(13) 0.1004(11) 0.8007(14) 0.053(4) Uani 0.521(18) 1 d DG U P D 2
H123 H 0.908728 0.168749 0.780558 0.063 Uiso 0.521(18) 1 calc R U P D 2
C61 C 0.8156(13) 0.0841(10) 0.7671(15) 0.044(3) Uani 0.521(18) 1 d DG U P D 2
C31 C 0.8094(13) -0.0159(12) 0.7966(15) 0.049(4) Uani 0.521(18) 1 d DG U P D 2
H31 H 0.748666 -0.026984 0.773636 0.058 Uiso 0.521(18) 1 calc R U P D 2
C125 C 0.8919(15) -0.0996(9) 0.8598(14) 0.060(4) Uani 0.521(18) 1 d DG U P D 2
H125 H 0.887674 -0.167956 0.879967 0.072 Uiso 0.521(18) 1 calc R U P D 2
C121 C 0.9808(13) -0.0833(12) 0.8934(13) 0.066(5) Uani 0.521(18) 1 d DG U P D 2
H121 H 1.037210 -0.140578 0.936594 0.080 Uiso 0.521(18) 1 calc R U P D 2
C63 C 0.179(2) 0.9488(19) 0.188(2) 0.070(5) Uani 0.44(5) 1 d DG U P B 2
H63 H 0.239626 0.967431 0.199345 0.084 Uiso 0.44(5) 1 calc R U P B 2
C131 C 0.091(2) 1.023(2) 0.123(2) 0.075(5) Uani 0.44(5) 1 d DG U P B 2
H131 H 0.092301 1.092095 0.089813 0.090 Uiso 0.44(5) 1 calc R U P B 2
C129 C 0.002(2) 0.996(3) 0.1062(18) 0.078(5) Uani 0.44(5) 1 d DG U P B 2
H129 H -0.057325 1.046225 0.061742 0.093 Uiso 0.44(5) 1 calc R U P B 2
C65 C 0.0011(19) 0.894(3) 0.155(3) 0.079(5) Uani 0.44(5) 1 d DG U P B 2
H65 H -0.059628 0.875692 0.143203 0.094 Uiso 0.44(5) 1 calc R U P B 2
C2 C 0.089(2) 0.820(2) 0.220(3) 0.073(5) Uani 0.44(5) 1 d DG U P B 2
H2 H 0.087696 0.751027 0.252735 0.087 Uiso 0.44(5) 1 calc R U P B 2
C127 C 0.1775(19) 0.8475(18) 0.236(2) 0.063(4) Uani 0.44(5) 1 d DG U P B 2
C33 C 0.302(3) -0.150(3) 0.8259(16) 0.082(5) Uani 0.54(4) 1 d D U P E 2
H33A H 0.224102 -0.127871 0.805441 0.099 Uiso 0.54(4) 1 calc R U P E 2
H33B H 0.337480 -0.212753 0.814128 0.099 Uiso 0.54(4) 1 calc R U P E 2
C133 C 0.2979(18) -0.072(3) 0.944(2) 0.081(5) Uani 0.54(4) 1 d D U P E 2
H13A H 0.283590 -0.075527 1.009017 0.098 Uiso 0.54(4) 1 calc R U P E 2
H13B H 0.241973 -0.013761 0.893744 0.098 Uiso 0.54(4) 1 calc R U P E 2
C67 C 0.322(3) -0.173(3) 0.9336(16) 0.078(4) Uani 0.54(4) 1 d D U P E 2
H67 H 0.286976 -0.223182 0.977531 0.094 Uiso 0.54(4) 1 calc R U P E 2
C135 C 0.446(2) -0.1963(16) 0.9648(18) 0.079(4) Uani 0.54(4) 1 d D U P E 2
C17 C 0.466(3) -0.241(2) 1.0738(17) 0.076(7) Uani 0.54(4) 1 d D U P E 2
H17A H 0.412479 -0.197763 1.098593 0.114 Uiso 0.54(4) 1 calc R U P E 2
H17B H 0.462180 -0.311705 1.100174 0.114 Uiso 0.54(4) 1 calc R U P E 2
H17C H 0.538276 -0.242078 1.093083 0.114 Uiso 0.54(4) 1 calc R U P E 2
C137 C 0.527(3) -0.261(2) 0.927(2) 0.082(8) Uani 0.54(4) 1 d D U P E 2
H13C H 0.503199 -0.243993 0.859374 0.123 Uiso 0.54(4) 1 calc R U P E 2
H13D H 0.536214 -0.334809 0.965083 0.123 Uiso 0.54(4) 1 calc R U P E 2
H13E H 0.595813 -0.248350 0.930831 0.123 Uiso 0.54(4) 1 calc R U P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Ti1 3.761(2) . ?
Eu1 Ti4 3.759(2) . ?
Eu1 Ti2 3.746(2) . ?
Eu1 Ti3 3.751(3) . ?
Eu1 O10 2.352(8) . ?
Eu1 O12 2.391(9) . ?
Eu1 O7 2.418(8) . ?
Eu1 O9 2.395(8) . ?
Eu1 N6 2.564(11) . ?
Eu1 N3 2.608(11) . ?
Eu1 O21 2.402(9) . ?
Eu1 O23 2.350(8) . ?
Eu2 Ti1 3.738(3) . ?
Eu2 Ti4 3.753(2) . ?
Eu2 Ti2 3.752(2) . ?
Eu2 Ti3 3.774(2) . ?
Eu2 O4 2.330(9) . ?
Eu2 O8 2.417(10) . ?
Eu2 O18 2.427(9) . ?
Eu2 O26 2.421(11) . ?
Eu2 N1 2.600(12) . ?
Eu2 N4 2.570(9) . ?
Eu2 O19 2.351(7) . ?
Eu2 O11 2.357(9) . ?
Ti1 Ti4 2.854(4) . ?
Ti1 O4 1.875(10) . ?
Ti1 O10 1.912(9) . ?
Ti1 O22 2.030(9) . ?
Ti1 O13 2.132(9) . ?
Ti1 O15 2.053(10) . ?
Ti1 O17 1.829(9) . ?
Ti4 O4 1.904(9) . ?
Ti4 O10 1.922(9) . ?
Ti4 O16 1.787(10) . ?
Ti4 O5 2.119(9) . ?
Ti4 O3 2.025(9) . ?
Ti4 O25 2.035(10) . ?
Ti2 Ti3 2.863(4) . ?
Ti2 O1 2.012(10) . ?
Ti2 O6 2.014(8) . ?
Ti2 O14 2.103(9) . ?
Ti2 O17 1.801(10) . ?
Ti2 O19 1.919(9) . ?
Ti2 O23 1.920(9) . ?
Ti3 O16 1.838(9) . ?
Ti3 O20 2.112(9) . ?
Ti3 O24 2.028(10) . ?
Ti3 O2 2.038(9) . ?
Ti3 O19 1.914(8) . ?
Ti3 O23 1.847(10) . ?
O1 C20 1.286(16) . ?
O6 C56 1.272(15) . ?
O8 C91 1.231(17) . ?
O12 C58 1.265(14) . ?
O14 C36 1.229(17) . ?
O18 C46 1.246(15) . ?
O20 C36 1.285(17) . ?
O22 C91 1.256(17) . ?
O24 C82 1.248(15) . ?
C1 H1 0.9500 . ?
C1 N1 1.360(17) . ?
C1 C126 1.40(2) . ?
O26 C82 1.275(15) . ?
O13 C44 1.237(15) . ?
C6 O2 1.259(16) . ?
C6 C75 1.477(19) . ?
C6 O21 1.272(17) . ?
C6 C27 1.474(17) . ?
O7 C28 1.214(16) . ?
O15 C28 1.288(16) . ?
N1 C80 1.349(17) . ?
N4 C92 1.318(15) . ?
N4 C45 1.343(15) . ?
O9 C20 1.229(15) . ?
C16 C89 1.3900 . ?
C16 C51 1.3900 . ?
C16 C91 1.506(14) . ?
C89 H89 0.9500 . ?
C89 C13 1.3900 . ?
C13 H13 0.9500 . ?
C13 C105 1.3900 . ?
C105 H105 0.9500 . ?
C105 C83 1.3900 . ?
C83 H83 0.9500 . ?
C83 C51 1.3900 . ?
C51 H51 0.9500 . ?
N6 C50 1.336(16) . ?
N6 C66 1.356(15) . ?
C18 H18 0.9500 . ?
C18 C87 1.3900 . ?
C18 C42 1.3900 . ?
C87 H87 0.9500 . ?
C87 C69 1.3900 . ?
C69 H69 0.9500 . ?
C69 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C52 1.3900 . ?
C52 H52 0.9500 . ?
C52 C42 1.3900 . ?
C42 C20 1.522(15) . ?
O5 C44 1.284(17) . ?
C20 C127 1.513(17) . ?
C22 H22 0.9500 . ?
C22 C94 1.3900 . ?
C22 C75 1.3900 . ?
C94 H94 0.9500 . ?
C94 C85 1.3900 . ?
C85 H85 0.9500 . ?
C85 C107 1.3900 . ?
C107 H107 0.9500 . ?
C107 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C75 1.3900 . ?
C24 H24 0.9500 . ?
C24 C116 1.3900 . ?
C24 C102 1.3900 . ?
C116 H116 0.9500 . ?
C116 C120 1.3900 . ?
C120 H120 0.9500 . ?
C120 C88 1.3900 . ?
C88 H88 0.9500 . ?
C88 C98 1.3900 . ?
C98 H98 0.9500 . ?
C98 C102 1.3900 . ?
C102 C82 1.493(15) . ?
C28 C10 1.510(15) . ?
N3 C132 1.337(17) . ?
N3 C77 1.353(15) . ?
C36 C90 1.490(14) . ?
C44 C40 1.484(14) . ?
C46 C48 1.458(16) . ?
C46 O25 1.286(16) . ?
C46 C61 1.462(16) . ?
C48 C134 1.3900 . ?
C48 C124 1.3900 . ?
C134 H134 0.9500 . ?
C134 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C124 1.3900 . ?
C124 H124 0.9500 . ?
C50 H50 0.9500 . ?
C50 C95 1.379(15) . ?
C56 C38 1.495(13) . ?
C56 O11 1.256(16) . ?
C58 C64 1.478(13) . ?
C58 O3 1.274(15) . ?
C62 H62 0.9500 . ?
C62 C90 1.3900 . ?
C62 C54 1.3900 . ?
C90 C8 1.3900 . ?
C8 H8 0.9500 . ?
C8 C14 1.3900 . ?
C14 H14 0.9500 . ?
C14 C68 1.3900 . ?
C68 H68 0.9500 . ?
C68 C54 1.3900 . ?
C54 H54 0.9500 . ?
C64 C110 1.3900 . ?
C64 C60 1.3900 . ?
C110 H110 0.9500 . ?
C110 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C86 1.3900 . ?
C86 H86 0.9500 . ?
C86 C108 1.3900 . ?
C108 H108 0.9500 . ?
C108 C60 1.3900 . ?
C60 H60 0.9500 . ?
C66 C77 1.489(15) . ?
C66 C25 1.382(14) . ?
C70 H70 0.9500 . ?
C70 C32 1.3900 . ?
C70 C43 1.3900 . ?
C32 H32 0.9500 . ?
C32 C78 1.3900 . ?
C78 H78 0.9500 . ?
C78 C38 1.3900 . ?
C38 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C43 1.3900 . ?
C43 H43 0.9500 . ?
C72 H72 0.9500 . ?
C72 C132 1.381(19) . ?
C72 C41 1.374(19) . ?
C74 C106 1.51(3) . ?
C74 C122 1.49(4) . ?
C74 C39 1.58(3) . ?
C74 C23 1.61(3) . ?
C80 C112 1.417(17) . ?
C80 C45 1.455(16) . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C84 C35 1.54(2) . ?
C92 H92 0.9500 . ?
C92 C3 1.399(17) . ?
C96 C95 1.404(15) . ?
C96 C25 1.393(16) . ?
C96 C103 1.520(14) . ?
C104 H10A 0.9900 . ?
C104 H10B 0.9900 . ?
C104 C21 1.531(18) . ?
C104 C99 1.59(2) . ?
C106 H10C 0.9800 . ?
C106 H10D 0.9800 . ?
C106 H10E 0.9800 . ?
C112 H112 0.9500 . ?
C112 C9 1.39(2) . ?
C122 H12A 0.9800 . ?
C122 H12B 0.9800 . ?
C122 H12C 0.9800 . ?
C126 H126 0.9500 . ?
C126 C9 1.36(2) . ?
C130 H130 0.9500 . ?
C130 C71 1.335(18) . ?
C130 C45 1.415(16) . ?
C132 H132 0.9500 . ?
C35 C21 1.58(2) . ?
C35 C47 1.51(2) . ?
C35 C99 1.54(2) . ?
C71 C93 1.57(2) . ?
C71 C3 1.375(17) . ?
C71 C33 1.56(2) . ?
C9 H9 0.9500 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 C39 1.60(3) . ?
C73 C23 1.51(4) . ?
C37 H37 0.9500 . ?
C37 C79 1.3900 . ?
C37 C40 1.3900 . ?
C79 H79 0.9500 . ?
C79 C76 1.3900 . ?
C76 H76 0.9500 . ?
C76 C138 1.3900 . ?
C138 H138 0.9500 . ?
C138 C136 1.3900 . ?
C136 H136 0.9500 . ?
C136 C40 1.3900 . ?
C77 C97 1.387(16) . ?
C39 H39 1.0000 . ?
C39 H39A 1.0000 . ?
C39 C3 1.497(18) . ?
C39 C133 1.62(3) . ?
C39 C135 1.57(2) . ?
C81 H81 0.9500 . ?
C81 C128 1.3900 . ?
C81 C10 1.3900 . ?
C128 H128 0.9500 . ?
C128 C114 1.3900 . ?
C114 H114 0.9500 . ?
C114 C118 1.3900 . ?
C118 H118 0.9500 . ?
C118 C30 1.3900 . ?
C30 H30 0.9500 . ?
C30 C10 1.3900 . ?
C41 H41 0.9500 . ?
C41 C97 1.356(18) . ?
C21 H21 1.0000 . ?
C21 C95 1.486(15) . ?
C91 C57 1.507(17) . ?
C23 H23 1.0000 . ?
C23 C93 1.53(3) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C97 H97 0.9500 . ?
C99 H99 1.0000 . ?
C99 C103 1.534(19) . ?
C25 H25 0.9500 . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C55 H55 0.9500 . ?
C55 C109 1.3900 . ?
C55 C111 1.3900 . ?
C109 H109 0.9500 . ?
C109 C27 1.3900 . ?
C27 C113 1.3900 . ?
C113 H113 0.9500 . ?
C113 C7 1.3900 . ?
C7 H7 0.9500 . ?
C7 C111 1.3900 . ?
C111 H111 0.9500 . ?
C57 C119 1.3900 . ?
C57 C29 1.3900 . ?
C119 H119 0.9500 . ?
C119 C115 1.3900 . ?
C115 H115 0.9500 . ?
C115 C59 1.3900 . ?
C59 H59 0.9500 . ?
C59 C117 1.3900 . ?
C117 H117 0.9500 . ?
C117 C29 1.3900 . ?
C29 H29 0.9500 . ?
C15 H15 0.9500 . ?
C15 C123 1.3900 . ?
C15 C121 1.3900 . ?
C123 H123 0.9500 . ?
C123 C61 1.3900 . ?
C61 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C125 1.3900 . ?
C125 H125 0.9500 . ?
C125 C121 1.3900 . ?
C121 H121 0.9500 . ?
C63 H63 0.9500 . ?
C63 C131 1.3900 . ?
C63 C127 1.3900 . ?
C131 H131 0.9500 . ?
C131 C129 1.3900 . ?
C129 H129 0.9500 . ?
C129 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C127 1.3900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C67 1.54(3) . ?
C133 H13A 0.9900 . ?
C133 H13B 0.9900 . ?
C133 C67 1.50(3) . ?
C67 H67 1.0000 . ?
C67 C135 1.59(3) . ?
C135 C17 1.52(3) . ?
C135 C137 1.49(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C137 H13C 0.9800 . ?
C137 H13D 0.9800 . ?
C137 H13E 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ti4 Eu1 Ti1 44.60(6) . . ?
Ti2 Eu1 Ti1 54.65(6) . . ?
Ti2 Eu1 Ti4 73.08(5) . . ?
Ti2 Eu1 Ti3 44.91(6) . . ?
Ti3 Eu1 Ti1 73.23(5) . . ?
Ti3 Eu1 Ti4 54.50(5) . . ?
O10 Eu1 Ti1 25.11(19) . . ?
O10 Eu1 Ti4 25.5(2) . . ?
O10 Eu1 Ti2 73.0(2) . . ?
O10 Eu1 Ti3 73.2(2) . . ?
O10 Eu1 O12 75.2(3) . . ?
O10 Eu1 O7 78.6(3) . . ?
O10 Eu1 O9 131.8(3) . . ?
O10 Eu1 N6 142.9(3) . . ?
O10 Eu1 N3 80.6(3) . . ?
O10 Eu1 O21 126.1(3) . . ?
O12 Eu1 Ti1 100.2(2) . . ?
O12 Eu1 Ti4 60.0(2) . . ?
O12 Eu1 Ti2 126.0(2) . . ?
O12 Eu1 Ti3 84.6(2) . . ?
O12 Eu1 O7 135.6(3) . . ?
O12 Eu1 O9 150.8(3) . . ?
O12 Eu1 N6 89.3(3) . . ?
O12 Eu1 N3 69.8(4) . . ?
O12 Eu1 O21 69.5(3) . . ?
O7 Eu1 Ti1 60.5(2) . . ?
O7 Eu1 Ti4 103.4(2) . . ?
O7 Eu1 Ti2 77.6(2) . . ?
O7 Eu1 Ti3 120.9(2) . . ?
O7 Eu1 N6 90.6(3) . . ?
O7 Eu1 N3 71.0(3) . . ?
O9 Eu1 Ti1 106.9(2) . . ?
O9 Eu1 Ti4 138.6(2) . . ?
O9 Eu1 Ti2 65.6(2) . . ?
O9 Eu1 Ti3 92.9(2) . . ?
O9 Eu1 O7 69.6(3) . . ?
O9 Eu1 N6 73.9(3) . . ?
O9 Eu1 N3 119.4(3) . . ?
O9 Eu1 O21 83.2(3) . . ?
N6 Eu1 Ti1 146.8(3) . . ?
N6 Eu1 Ti4 147.3(2) . . ?
N6 Eu1 Ti2 139.4(2) . . ?
N6 Eu1 Ti3 139.7(2) . . ?
N6 Eu1 N3 62.4(3) . . ?
N3 Eu1 Ti1 91.1(2) . . ?
N3 Eu1 Ti4 94.1(2) . . ?
N3 Eu1 Ti2 142.3(2) . . ?
N3 Eu1 Ti3 147.2(2) . . ?
O21 Eu1 Ti1 136.9(2) . . ?
O21 Eu1 Ti4 100.7(2) . . ?
O21 Eu1 Ti2 96.6(2) . . ?
O21 Eu1 Ti3 64.4(2) . . ?
O21 Eu1 O7 152.3(3) . . ?
O21 Eu1 N6 76.2(3) . . ?
O21 Eu1 N3 120.9(3) . . ?
O23 Eu1 Ti1 71.7(2) . . ?
O23 Eu1 Ti4 70.6(2) . . ?
O23 Eu1 Ti2 25.7(2) . . ?
O23 Eu1 Ti3 23.4(2) . . ?
O23 Eu1 O10 81.8(3) . . ?
O23 Eu1 O12 107.9(3) . . ?
O23 Eu1 O7 103.0(3) . . ?
O23 Eu1 O9 71.6(3) . . ?
O23 Eu1 N6 135.3(3) . . ?
O23 Eu1 N3 162.2(3) . . ?
O23 Eu1 O21 72.3(3) . . ?
Ti1 Eu2 Ti4 44.78(6) . . ?
Ti1 Eu2 Ti2 54.77(6) . . ?
Ti1 Eu2 Ti3 73.22(5) . . ?
Ti4 Eu2 Ti3 54.37(5) . . ?
Ti2 Eu2 Ti4 73.07(5) . . ?
Ti2 Eu2 Ti3 44.72(6) . . ?
O4 Eu2 Ti1 24.2(2) . . ?
O4 Eu2 Ti4 24.7(2) . . ?
O4 Eu2 Ti2 71.1(2) . . ?
O4 Eu2 Ti3 71.1(2) . . ?
O4 Eu2 O8 71.5(3) . . ?
O4 Eu2 O18 71.6(3) . . ?
O4 Eu2 O26 105.2(3) . . ?
O4 Eu2 N1 161.9(3) . . ?
O4 Eu2 N4 135.5(3) . . ?
O4 Eu2 O19 81.3(3) . . ?
O4 Eu2 O11 106.3(3) . . ?
O8 Eu2 Ti1 63.3(2) . . ?
O8 Eu2 Ti4 94.8(2) . . ?
O8 Eu2 Ti2 101.1(2) . . ?
O8 Eu2 Ti3 136.2(2) . . ?
O8 Eu2 O18 82.7(3) . . ?
O8 Eu2 O26 152.4(3) . . ?
O8 Eu2 N1 119.8(4) . . ?
O8 Eu2 N4 72.8(3) . . ?
O18 Eu2 Ti1 93.6(2) . . ?
O18 Eu2 Ti4 65.8(2) . . ?
O18 Eu2 Ti2 138.9(2) . . ?
O18 Eu2 Ti3 106.1(2) . . ?
O18 Eu2 N1 121.7(4) . . ?
O18 Eu2 N4 78.3(3) . . ?
O26 Eu2 Ti1 123.6(2) . . ?
O26 Eu2 Ti4 80.7(2) . . ?
O26 Eu2 Ti2 103.5(2) . . ?
O26 Eu2 Ti3 61.4(2) . . ?
O26 Eu2 O18 70.5(3) . . ?
O26 Eu2 N1 71.6(4) . . ?
O26 Eu2 N4 94.5(3) . . ?
N1 Eu2 Ti1 144.6(3) . . ?
N1 Eu2 Ti4 144.6(3) . . ?
N1 Eu2 Ti2 92.1(3) . . ?
N1 Eu2 Ti3 92.4(2) . . ?
N4 Eu2 Ti1 136.1(2) . . ?
N4 Eu2 Ti4 143.4(2) . . ?
N4 Eu2 Ti2 142.2(2) . . ?
N4 Eu2 Ti3 150.6(2) . . ?
N4 Eu2 N1 62.4(3) . . ?
O19 Eu2 Ti1 73.0(2) . . ?
O19 Eu2 Ti4 72.38(19) . . ?
O19 Eu2 Ti2 25.5(2) . . ?
O19 Eu2 Ti3 24.79(19) . . ?
O19 Eu2 O8 126.6(3) . . ?
O19 Eu2 O18 130.7(3) . . ?
O19 Eu2 O26 78.3(3) . . ?
O19 Eu2 N1 80.6(3) . . ?
O19 Eu2 N4 142.5(3) . . ?
O19 Eu2 O11 76.0(3) . . ?
O11 Eu2 Ti1 82.2(3) . . ?
O11 Eu2 Ti4 123.9(2) . . ?
O11 Eu2 Ti2 59.3(2) . . ?
O11 Eu2 Ti3 100.6(2) . . ?
O11 Eu2 O8 69.2(3) . . ?
O11 Eu2 O18 150.5(3) . . ?
O11 Eu2 O26 135.3(3) . . ?
O11 Eu2 N1 68.6(4) . . ?
O11 Eu2 N4 84.6(3) . . ?
Eu2 Ti1 Eu1 107.04(7) . . ?
Ti4 Ti1 Eu1 67.66(7) . . ?
Ti4 Ti1 Eu2 67.88(8) . . ?
O4 Ti1 Eu1 100.4(3) . . ?
O4 Ti1 Eu2 30.6(3) . . ?
O4 Ti1 Ti4 41.3(3) . . ?
O4 Ti1 O10 82.2(4) . . ?
O4 Ti1 O22 92.0(4) . . ?
O4 Ti1 O13 92.3(4) . . ?
O4 Ti1 O15 173.4(4) . . ?
O10 Ti1 Eu1 31.5(2) . . ?
O10 Ti1 Eu2 102.7(3) . . ?
O10 Ti1 Ti4 42.0(3) . . ?
O10 Ti1 O22 168.7(4) . . ?
O10 Ti1 O13 87.3(3) . . ?
O10 Ti1 O15 94.2(4) . . ?
O22 Ti1 Eu1 159.7(3) . . ?
O22 Ti1 Eu2 76.2(3) . . ?
O22 Ti1 Ti4 129.9(3) . . ?
O22 Ti1 O13 83.2(4) . . ?
O22 Ti1 O15 90.5(4) . . ?
O13 Ti1 Eu1 111.9(3) . . ?
O13 Ti1 Eu2 115.6(3) . . ?
O13 Ti1 Ti4 82.2(3) . . ?
O15 Ti1 Eu1 78.9(2) . . ?
O15 Ti1 Eu2 155.9(3) . . ?
O15 Ti1 Ti4 133.9(3) . . ?
O15 Ti1 O13 81.9(4) . . ?
O17 Ti1 Eu1 71.3(3) . . ?
O17 Ti1 Eu2 71.5(3) . . ?
O17 Ti1 Ti4 108.1(3) . . ?
O17 Ti1 O4 96.9(4) . . ?
O17 Ti1 O10 98.8(4) . . ?
O17 Ti1 O22 91.5(4) . . ?
O17 Ti1 O13 169.6(4) . . ?
O17 Ti1 O15 89.1(4) . . ?
Eu2 Ti4 Eu1 106.77(6) . . ?
Ti1 Ti4 Eu1 67.74(7) . . ?
Ti1 Ti4 Eu2 67.33(7) . . ?
O4 Ti4 Eu1 99.9(3) . . ?
O4 Ti4 Eu2 30.7(3) . . ?
O4 Ti4 Ti1 40.6(3) . . ?
O4 Ti4 O10 81.2(4) . . ?
O4 Ti4 O5 88.2(4) . . ?
O4 Ti4 O3 166.0(4) . . ?
O4 Ti4 O25 86.8(4) . . ?
O10 Ti4 Eu1 31.7(3) . . ?
O10 Ti4 Eu2 101.9(3) . . ?
O10 Ti4 Ti1 41.8(3) . . ?
O10 Ti4 O5 89.6(4) . . ?
O10 Ti4 O3 92.0(4) . . ?
O10 Ti4 O25 164.9(4) . . ?
O16 Ti4 Eu1 70.0(3) . . ?
O16 Ti4 Eu2 74.0(3) . . ?
O16 Ti4 Ti1 108.9(3) . . ?
O16 Ti4 O4 99.1(4) . . ?
O16 Ti4 O10 98.2(4) . . ?
O16 Ti4 O5 170.0(4) . . ?
O16 Ti4 O3 93.9(4) . . ?
O16 Ti4 O25 92.8(5) . . ?
O5 Ti4 Eu1 115.6(3) . . ?
O5 Ti4 Eu2 110.7(3) . . ?
O5 Ti4 Ti1 81.0(3) . . ?
O3 Ti4 Eu1 79.8(3) . . ?
O3 Ti4 Eu2 162.6(3) . . ?
O3 Ti4 Ti1 129.5(3) . . ?
O3 Ti4 O5 79.5(3) . . ?
O3 Ti4 O25 97.6(4) . . ?
O25 Ti4 Eu1 162.3(3) . . ?
O25 Ti4 Eu2 71.1(3) . . ?
O25 Ti4 Ti1 124.4(3) . . ?
O25 Ti4 O5 80.8(4) . . ?
Eu1 Ti2 Eu2 107.07(6) . . ?
Ti3 Ti2 Eu1 67.65(7) . . ?
Ti3 Ti2 Eu2 68.05(7) . . ?
O1 Ti2 Eu1 72.4(3) . . ?
O1 Ti2 Eu2 163.3(3) . . ?
O1 Ti2 Ti3 124.6(3) . . ?
O1 Ti2 O6 96.4(4) . . ?
O1 Ti2 O14 80.8(4) . . ?
O6 Ti2 Eu1 161.8(3) . . ?
O6 Ti2 Eu2 79.4(2) . . ?
O6 Ti2 Ti3 129.9(3) . . ?
O6 Ti2 O14 80.2(3) . . ?
O14 Ti2 Eu1 111.2(3) . . ?
O14 Ti2 Eu2 114.0(3) . . ?
O14 Ti2 Ti3 79.6(3) . . ?
O17 Ti2 Eu1 71.9(3) . . ?
O17 Ti2 Eu2 71.3(3) . . ?
O17 Ti2 Ti3 108.5(3) . . ?
O17 Ti2 O1 93.2(5) . . ?
O17 Ti2 O6 95.0(4) . . ?
O17 Ti2 O14 171.8(4) . . ?
O17 Ti2 O19 98.7(4) . . ?
O17 Ti2 O23 98.2(4) . . ?
O19 Ti2 Eu1 101.8(2) . . ?
O19 Ti2 Eu2 31.8(2) . . ?
O19 Ti2 Ti3 41.6(2) . . ?
O19 Ti2 O1 164.4(4) . . ?
O19 Ti2 O6 92.5(4) . . ?
O19 Ti2 O14 88.2(4) . . ?
O19 Ti2 O23 80.0(4) . . ?
O23 Ti2 Eu1 32.0(3) . . ?
O23 Ti2 Eu2 99.6(3) . . ?
O23 Ti2 Ti3 39.6(3) . . ?
O23 Ti2 O1 88.4(4) . . ?
O23 Ti2 O6 165.7(4) . . ?
O23 Ti2 O14 87.3(4) . . ?
Eu1 Ti3 Eu2 106.50(6) . . ?
Ti2 Ti3 Eu1 67.44(7) . . ?
Ti2 Ti3 Eu2 67.23(7) . . ?
O16 Ti3 Eu1 70.0(3) . . ?
O16 Ti3 Eu2 73.0(3) . . ?
O16 Ti3 Ti2 107.9(3) . . ?
O16 Ti3 O20 169.2(4) . . ?
O16 Ti3 O24 89.1(4) . . ?
O16 Ti3 O2 90.9(4) . . ?
O16 Ti3 O19 99.6(4) . . ?
O16 Ti3 O23 95.8(4) . . ?
O20 Ti3 Eu1 116.2(3) . . ?
O20 Ti3 Eu2 111.7(2) . . ?
O20 Ti3 Ti2 82.9(3) . . ?
O24 Ti3 Eu1 155.6(3) . . ?
O24 Ti3 Eu2 77.9(3) . . ?
O24 Ti3 Ti2 133.5(3) . . ?
O24 Ti3 O20 82.6(4) . . ?
O24 Ti3 O2 93.6(4) . . ?
O2 Ti3 Eu1 74.9(3) . . ?
O2 Ti3 Eu2 161.7(3) . . ?
O2 Ti3 Ti2 127.8(3) . . ?
O2 Ti3 O20 82.7(4) . . ?
O19 Ti3 Eu1 101.7(3) . . ?
O19 Ti3 Eu2 31.0(2) . . ?
O19 Ti3 Ti2 41.7(3) . . ?
O19 Ti3 O20 88.0(3) . . ?
O19 Ti3 O24 93.9(4) . . ?
O19 Ti3 O2 167.2(4) . . ?
O23 Ti3 Eu1 30.3(3) . . ?
O23 Ti3 Eu2 100.4(3) . . ?
O23 Ti3 Ti2 41.5(3) . . ?
O23 Ti3 O20 92.9(4) . . ?
O23 Ti3 O24 174.1(4) . . ?
O23 Ti3 O2 89.7(4) . . ?
O23 Ti3 O19 82.0(4) . . ?
C20 O1 Ti2 133.1(9) . . ?
Ti1 O4 Eu2 125.2(4) . . ?
Ti1 O4 Ti4 98.1(4) . . ?
Ti4 O4 Eu2 124.6(5) . . ?
C56 O6 Ti2 128.1(8) . . ?
C91 O8 Eu2 132.8(8) . . ?
Ti1 O10 Eu1 123.4(4) . . ?
Ti1 O10 Ti4 96.2(4) . . ?
Ti4 O10 Eu1 122.8(4) . . ?
C58 O12 Eu1 143.1(8) . . ?
C36 O14 Ti2 129.0(9) . . ?
Ti4 O16 Ti3 143.1(5) . . ?
C46 O18 Eu2 131.8(8) . . ?
C36 O20 Ti3 123.1(9) . . ?
C91 O22 Ti1 132.0(9) . . ?
C82 O24 Ti3 132.1(9) . . ?
N1 C1 H1 119.4 . . ?
N1 C1 C126 121.2(15) . . ?
C126 C1 H1 119.4 . . ?
C82 O26 Eu2 141.9(9) . . ?
C44 O13 Ti1 125.1(9) . . ?
O2 C6 C75 119.1(17) . . ?
O2 C6 O21 123.5(13) . . ?
O2 C6 C27 114.5(14) . . ?
O21 C6 C75 117.1(14) . . ?
O21 C6 C27 121.7(12) . . ?
C28 O7 Eu1 142.0(9) . . ?
C28 O15 Ti1 125.5(8) . . ?
C1 N1 Eu2 119.3(10) . . ?
C80 N1 Eu2 119.1(8) . . ?
C80 N1 C1 119.6(12) . . ?
C6 O2 Ti3 137.2(10) . . ?
C92 N4 Eu2 116.7(8) . . ?
C92 N4 C45 119.0(10) . . ?
C45 N4 Eu2 119.8(7) . . ?
Ti2 O17 Ti1 143.3(6) . . ?
C20 O9 Eu1 130.8(8) . . ?
C89 C16 C51 120.0 . . ?
C89 C16 C91 120.2(10) . . ?
C51 C16 C91 119.7(10) . . ?
C16 C89 H89 120.0 . . ?
C13 C89 C16 120.0 . . ?
C13 C89 H89 120.0 . . ?
C89 C13 H13 120.0 . . ?
C105 C13 C89 120.0 . . ?
C105 C13 H13 120.0 . . ?
C13 C105 H105 120.0 . . ?
C83 C105 C13 120.0 . . ?
C83 C105 H105 120.0 . . ?
C105 C83 H83 120.0 . . ?
C51 C83 C105 120.0 . . ?
C51 C83 H83 120.0 . . ?
C16 C51 H51 120.0 . . ?
C83 C51 C16 120.0 . . ?
C83 C51 H51 120.0 . . ?
C50 N6 Eu1 118.7(8) . . ?
C50 N6 C66 117.7(11) . . ?
C66 N6 Eu1 123.2(7) . . ?
C87 C18 H18 120.0 . . ?
C87 C18 C42 120.0 . . ?
C42 C18 H18 120.0 . . ?
C18 C87 H87 120.0 . . ?
C69 C87 C18 120.0 . . ?
C69 C87 H87 120.0 . . ?
C87 C69 H69 120.0 . . ?
C87 C69 C19 120.0 . . ?
C19 C69 H69 120.0 . . ?
C69 C19 H19 120.0 . . ?
C52 C19 C69 120.0 . . ?
C52 C19 H19 120.0 . . ?
C19 C52 H52 120.0 . . ?
C42 C52 C19 120.0 . . ?
C42 C52 H52 120.0 . . ?
C18 C42 C20 117.4(13) . . ?
C52 C42 C18 120.0 . . ?
C52 C42 C20 122.5(13) . . ?
Ti2 O19 Eu2 122.7(4) . . ?
Ti3 O19 Eu2 124.2(4) . . ?
Ti3 O19 Ti2 96.7(4) . . ?
C44 O5 Ti4 126.0(8) . . ?
O1 C20 C42 116.2(14) . . ?
O1 C20 C127 110.5(15) . . ?
O9 C20 O1 128.0(11) . . ?
O9 C20 C42 115.8(13) . . ?
O9 C20 C127 121.6(15) . . ?
C94 C22 H22 120.0 . . ?
C94 C22 C75 120.0 . . ?
C75 C22 H22 120.0 . . ?
C22 C94 H94 120.0 . . ?
C22 C94 C85 120.0 . . ?
C85 C94 H94 120.0 . . ?
C94 C85 H85 120.0 . . ?
C94 C85 C107 120.0 . . ?
C107 C85 H85 120.0 . . ?
C85 C107 H107 120.0 . . ?
C11 C107 C85 120.0 . . ?
C11 C107 H107 120.0 . . ?
C107 C11 H11 120.0 . . ?
C107 C11 C75 120.0 . . ?
C75 C11 H11 120.0 . . ?
C22 C75 C6 120.4(16) . . ?
C11 C75 C6 119.3(16) . . ?
C11 C75 C22 120.0 . . ?
C116 C24 H24 120.0 . . ?
C116 C24 C102 120.0 . . ?
C102 C24 H24 120.0 . . ?
C24 C116 H116 120.0 . . ?
C120 C116 C24 120.0 . . ?
C120 C116 H116 120.0 . . ?
C116 C120 H120 120.0 . . ?
C116 C120 C88 120.0 . . ?
C88 C120 H120 120.0 . . ?
C120 C88 H88 120.0 . . ?
C98 C88 C120 120.0 . . ?
C98 C88 H88 120.0 . . ?
C88 C98 H98 120.0 . . ?
C88 C98 C102 120.0 . . ?
C102 C98 H98 120.0 . . ?
C24 C102 C82 121.5(7) . . ?
C98 C102 C24 120.0 . . ?
C98 C102 C82 118.3(7) . . ?
O7 C28 O15 126.8(13) . . ?
O7 C28 C10 118.8(11) . . ?
O15 C28 C10 114.2(11) . . ?
C132 N3 Eu1 119.9(9) . . ?
C132 N3 C77 117.8(12) . . ?
C77 N3 Eu1 122.1(8) . . ?
O14 C36 O20 124.9(12) . . ?
O14 C36 C90 117.7(12) . . ?
O20 C36 C90 117.4(12) . . ?
O13 C44 O5 125.2(12) . . ?
O13 C44 C40 119.2(12) . . ?
O5 C44 C40 115.6(10) . . ?
O18 C46 C48 126.6(13) . . ?
O18 C46 O25 122.9(12) . . ?
O18 C46 C61 113.8(12) . . ?
O25 C46 C48 110.5(12) . . ?
O25 C46 C61 123.2(12) . . ?
C134 C48 C46 120.4(11) . . ?
C134 C48 C124 120.0 . . ?
C124 C48 C46 119.6(11) . . ?
C48 C134 H134 120.0 . . ?
C48 C134 C49 120.0 . . ?
C49 C134 H134 120.0 . . ?
C134 C49 H49 120.0 . . ?
C34 C49 C134 120.0 . . ?
C34 C49 H49 120.0 . . ?
C49 C34 H34 120.0 . . ?
C26 C34 C49 120.0 . . ?
C26 C34 H34 120.0 . . ?
C34 C26 H26 120.0 . . ?
C34 C26 C124 120.0 . . ?
C124 C26 H26 120.0 . . ?
C48 C124 H124 120.0 . . ?
C26 C124 C48 120.0 . . ?
C26 C124 H124 120.0 . . ?
N6 C50 H50 117.3 . . ?
N6 C50 C95 125.4(11) . . ?
C95 C50 H50 117.3 . . ?
O6 C56 C38 116.5(10) . . ?
O11 C56 O6 123.6(11) . . ?
O11 C56 C38 119.9(11) . . ?
O12 C58 C64 117.8(10) . . ?
O12 C58 O3 123.8(11) . . ?
O3 C58 C64 118.4(9) . . ?
C6 O21 Eu1 134.9(8) . . ?
C90 C62 H62 120.0 . . ?
C90 C62 C54 120.0 . . ?
C54 C62 H62 120.0 . . ?
C62 C90 C36 118.3(9) . . ?
C62 C90 C8 120.0 . . ?
C8 C90 C36 121.7(9) . . ?
C90 C8 H8 120.0 . . ?
C14 C8 C90 120.0 . . ?
C14 C8 H8 120.0 . . ?
C8 C14 H14 120.0 . . ?
C8 C14 C68 120.0 . . ?
C68 C14 H14 120.0 . . ?
C14 C68 H68 120.0 . . ?
C54 C68 C14 120.0 . . ?
C54 C68 H68 120.0 . . ?
C62 C54 H54 120.0 . . ?
C68 C54 C62 120.0 . . ?
C68 C54 H54 120.0 . . ?
C110 C64 C58 120.4(7) . . ?
C110 C64 C60 120.0 . . ?
C60 C64 C58 119.5(6) . . ?
C64 C110 H110 120.0 . . ?
C4 C110 C64 120.0 . . ?
C4 C110 H110 120.0 . . ?
C110 C4 H4 120.0 . . ?
C110 C4 C86 120.0 . . ?
C86 C4 H4 120.0 . . ?
C4 C86 H86 120.0 . . ?
C108 C86 C4 120.0 . . ?
C108 C86 H86 120.0 . . ?
C86 C108 H108 120.0 . . ?
C86 C108 C60 120.0 . . ?
C60 C108 H108 120.0 . . ?
C64 C60 H60 120.0 . . ?
C108 C60 C64 120.0 . . ?
C108 C60 H60 120.0 . . ?
N6 C66 C77 116.2(9) . . ?
N6 C66 C25 121.3(10) . . ?
C25 C66 C77 122.4(10) . . ?
C32 C70 H70 120.0 . . ?
C32 C70 C43 120.0 . . ?
C43 C70 H70 120.0 . . ?
C70 C32 H32 120.0 . . ?
C78 C32 C70 120.0 . . ?
C78 C32 H32 120.0 . . ?
C32 C78 H78 120.0 . . ?
C32 C78 C38 120.0 . . ?
C38 C78 H78 120.0 . . ?
C78 C38 C56 119.5(7) . . ?
C12 C38 C56 120.5(7) . . ?
C12 C38 C78 120.0 . . ?
C38 C12 H12 120.0 . . ?
C38 C12 C43 120.0 . . ?
C43 C12 H12 120.0 . . ?
C70 C43 H43 120.0 . . ?
C12 C43 C70 120.0 . . ?
C12 C43 H43 120.0 . . ?
C132 C72 H72 120.9 . . ?
C41 C72 H72 120.9 . . ?
C41 C72 C132 118.1(12) . . ?
C106 C74 C39 113(2) . . ?
C106 C74 C23 106(3) . . ?
C122 C74 C106 112(2) . . ?
C122 C74 C39 121(3) . . ?
C122 C74 C23 117(3) . . ?
C39 C74 C23 83.2(17) . . ?
N1 C80 C112 120.4(11) . . ?
N1 C80 C45 117.1(10) . . ?
C112 C80 C45 122.6(11) . . ?
O24 C82 O26 123.2(12) . . ?
O24 C82 C102 118.2(10) . . ?
O26 C82 C102 118.4(11) . . ?
C56 O11 Eu2 143.0(8) . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C35 C84 H84A 109.5 . . ?
C35 C84 H84B 109.5 . . ?
C35 C84 H84C 109.5 . . ?
Ti2 O23 Eu1 122.3(5) . . ?
Ti3 O23 Eu1 126.3(4) . . ?
Ti3 O23 Ti2 98.9(4) . . ?
C58 O3 Ti4 129.1(7) . . ?
N4 C92 H92 118.5 . . ?
N4 C92 C3 123.0(12) . . ?
C3 C92 H92 118.5 . . ?
C95 C96 C103 118.2(10) . . ?
C25 C96 C95 119.1(9) . . ?
C25 C96 C103 122.6(10) . . ?
H10A C104 H10B 111.6 . . ?
C21 C104 H10A 114.4 . . ?
C21 C104 H10B 114.4 . . ?
C21 C104 C99 85.2(11) . . ?
C99 C104 H10A 114.4 . . ?
C99 C104 H10B 114.4 . . ?
C74 C106 H10C 109.5 . . ?
C74 C106 H10D 109.5 . . ?
C74 C106 H10E 109.5 . . ?
H10C C106 H10D 109.5 . . ?
H10C C106 H10E 109.5 . . ?
H10D C106 H10E 109.5 . . ?
C80 C112 H112 120.3 . . ?
C9 C112 C80 119.5(13) . . ?
C9 C112 H112 120.3 . . ?
C46 O25 Ti4 137.1(8) . . ?
C74 C122 H12A 109.5 . . ?
C74 C122 H12B 109.5 . . ?
C74 C122 H12C 109.5 . . ?
H12A C122 H12B 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C1 C126 H126 120.1 . . ?
C9 C126 C1 119.9(13) . . ?
C9 C126 H126 120.1 . . ?
C71 C130 H130 119.8 . . ?
C71 C130 C45 120.4(11) . . ?
C45 C130 H130 119.8 . . ?
N3 C132 C72 123.6(13) . . ?
N3 C132 H132 118.2 . . ?
C72 C132 H132 118.2 . . ?
C84 C35 C21 114.2(12) . . ?
C47 C35 C84 109.0(16) . . ?
C47 C35 C21 120.0(11) . . ?
C47 C35 C99 113.5(13) . . ?
C99 C35 C84 113.0(12) . . ?
C99 C35 C21 85.4(12) . . ?
C130 C71 C93 122.4(15) . . ?
C130 C71 C3 119.6(11) . . ?
C130 C71 C33 120.7(14) . . ?
C3 C71 C93 115.7(15) . . ?
C3 C71 C33 119.2(13) . . ?
C112 C9 H9 120.4 . . ?
C126 C9 C112 119.2(13) . . ?
C126 C9 H9 120.4 . . ?
H73A C73 H73B 111.5 . . ?
C39 C73 H73A 114.4 . . ?
C39 C73 H73B 114.4 . . ?
C23 C73 H73A 114.4 . . ?
C23 C73 H73B 114.4 . . ?
C23 C73 C39 85.8(19) . . ?
C79 C37 H37 120.0 . . ?
C79 C37 C40 120.0 . . ?
C40 C37 H37 120.0 . . ?
C37 C79 H79 120.0 . . ?
C76 C79 C37 120.0 . . ?
C76 C79 H79 120.0 . . ?
C79 C76 H76 120.0 . . ?
C138 C76 C79 120.0 . . ?
C138 C76 H76 120.0 . . ?
C76 C138 H138 120.0 . . ?
C76 C138 C136 120.0 . . ?
C136 C138 H138 120.0 . . ?
C138 C136 H136 120.0 . . ?
C40 C136 C138 120.0 . . ?
C40 C136 H136 120.0 . . ?
C37 C40 C44 120.4(8) . . ?
C136 C40 C44 119.6(8) . . ?
C136 C40 C37 120.0 . . ?
N3 C77 C66 115.6(10) . . ?
N3 C77 C97 120.7(11) . . ?
C97 C77 C66 123.7(10) . . ?
C74 C39 C73 86.6(17) . . ?
C74 C39 H39 114.6 . . ?
C73 C39 H39 114.6 . . ?
C3 C39 C74 114.2(16) . . ?
C3 C39 C73 108.9(17) . . ?
C3 C39 H39 114.6 . . ?
C3 C39 H39A 117.0 . . ?
C3 C39 C133 106.6(15) . . ?
C3 C39 C135 109.5(15) . . ?
C133 C39 H39A 117.0 . . ?
C135 C39 H39A 117.0 . . ?
C135 C39 C133 85.3(15) . . ?
C128 C81 H81 120.0 . . ?
C128 C81 C10 120.0 . . ?
C10 C81 H81 120.0 . . ?
C81 C128 H128 120.0 . . ?
C81 C128 C114 120.0 . . ?
C114 C128 H128 120.0 . . ?
C128 C114 H114 120.0 . . ?
C118 C114 C128 120.0 . . ?
C118 C114 H114 120.0 . . ?
C114 C118 H118 120.0 . . ?
C114 C118 C30 120.0 . . ?
C30 C118 H118 120.0 . . ?
C118 C30 H30 120.0 . . ?
C10 C30 C118 120.0 . . ?
C10 C30 H30 120.0 . . ?
C81 C10 C28 119.9(8) . . ?
C30 C10 C28 120.0(8) . . ?
C30 C10 C81 120.0 . . ?
C72 C41 H41 120.5 . . ?
C97 C41 C72 119.0(12) . . ?
C97 C41 H41 120.5 . . ?
C104 C21 C35 87.6(10) . . ?
C104 C21 H21 115.7 . . ?
C35 C21 H21 115.7 . . ?
C95 C21 C104 108.4(11) . . ?
C95 C21 C35 110.3(9) . . ?
C95 C21 H21 115.7 . . ?
N4 C45 C80 116.9(10) . . ?
N4 C45 C130 120.1(10) . . ?
C130 C45 C80 122.9(11) . . ?
O8 C91 O22 128.3(11) . . ?
O8 C91 C16 121.4(12) . . ?
O8 C91 C57 110.8(14) . . ?
O22 C91 C16 110.2(13) . . ?
O22 C91 C57 119.8(15) . . ?
C74 C23 H23 115.8 . . ?
C73 C23 C74 88.7(17) . . ?
C73 C23 H23 115.8 . . ?
C73 C23 C93 109(2) . . ?
C93 C23 C74 108(2) . . ?
C93 C23 H23 115.8 . . ?
C71 C93 H93A 108.9 . . ?
C71 C93 H93B 108.9 . . ?
C23 C93 C71 113.5(19) . . ?
C23 C93 H93A 108.9 . . ?
C23 C93 H93B 108.9 . . ?
H93A C93 H93B 107.7 . . ?
C35 C47 H47A 109.5 . . ?
C35 C47 H47B 109.5 . . ?
C35 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C50 C95 C96 116.4(10) . . ?
C50 C95 C21 126.9(10) . . ?
C96 C95 C21 116.7(9) . . ?
C92 C3 C39 125.4(11) . . ?
C71 C3 C92 117.9(11) . . ?
C71 C3 C39 115.7(11) . . ?
C77 C97 H97 119.6 . . ?
C41 C97 C77 120.8(12) . . ?
C41 C97 H97 119.6 . . ?
C104 C99 H99 115.0 . . ?
C35 C99 C104 86.6(11) . . ?
C35 C99 H99 115.0 . . ?
C103 C99 C104 107.9(13) . . ?
C103 C99 C35 113.9(12) . . ?
C103 C99 H99 115.0 . . ?
C66 C25 C96 120.0(10) . . ?
C66 C25 H25 120.0 . . ?
C96 C25 H25 120.0 . . ?
C96 C103 C99 109.9(10) . . ?
C96 C103 H10F 109.7 . . ?
C96 C103 H10G 109.7 . . ?
C99 C103 H10F 109.7 . . ?
C99 C103 H10G 109.7 . . ?
H10F C103 H10G 108.2 . . ?
C109 C55 H55 120.0 . . ?
C109 C55 C111 120.0 . . ?
C111 C55 H55 120.0 . . ?
C55 C109 H109 120.0 . . ?
C27 C109 C55 120.0 . . ?
C27 C109 H109 120.0 . . ?
C109 C27 C6 119.0(12) . . ?
C109 C27 C113 120.0 . . ?
C113 C27 C6 120.1(12) . . ?
C27 C113 H113 120.0 . . ?
C27 C113 C7 120.0 . . ?
C7 C113 H113 120.0 . . ?
C113 C7 H7 120.0 . . ?
C113 C7 C111 120.0 . . ?
C111 C7 H7 120.0 . . ?
C55 C111 H111 120.0 . . ?
C7 C111 C55 120.0 . . ?
C7 C111 H111 120.0 . . ?
C119 C57 C91 120.6(15) . . ?
C119 C57 C29 120.0 . . ?
C29 C57 C91 118.5(15) . . ?
C57 C119 H119 120.0 . . ?
C57 C119 C115 120.0 . . ?
C115 C119 H119 120.0 . . ?
C119 C115 H115 120.0 . . ?
C59 C115 C119 120.0 . . ?
C59 C115 H115 120.0 . . ?
C115 C59 H59 120.0 . . ?
C117 C59 C115 120.0 . . ?
C117 C59 H59 120.0 . . ?
C59 C117 H117 120.0 . . ?
C59 C117 C29 120.0 . . ?
C29 C117 H117 120.0 . . ?
C57 C29 H29 120.0 . . ?
C117 C29 C57 120.0 . . ?
C117 C29 H29 120.0 . . ?
C123 C15 H15 120.0 . . ?
C123 C15 C121 120.0 . . ?
C121 C15 H15 120.0 . . ?
C15 C123 H123 120.0 . . ?
C15 C123 C61 120.0 . . ?
C61 C123 H123 120.0 . . ?
C123 C61 C46 118.7(11) . . ?
C31 C61 C46 121.2(11) . . ?
C31 C61 C123 120.0 . . ?
C61 C31 H31 120.0 . . ?
C125 C31 C61 120.0 . . ?
C125 C31 H31 120.0 . . ?
C31 C125 H125 120.0 . . ?
C31 C125 C121 120.0 . . ?
C121 C125 H125 120.0 . . ?
C15 C121 H121 120.0 . . ?
C125 C121 C15 120.0 . . ?
C125 C121 H121 120.0 . . ?
C131 C63 H63 120.0 . . ?
C131 C63 C127 120.0 . . ?
C127 C63 H63 120.0 . . ?
C63 C131 H131 120.0 . . ?
C129 C131 C63 120.0 . . ?
C129 C131 H131 120.0 . . ?
C131 C129 H129 120.0 . . ?
C131 C129 C65 120.0 . . ?
C65 C129 H129 120.0 . . ?
C129 C65 H65 120.0 . . ?
C2 C65 C129 120.0 . . ?
C2 C65 H65 120.0 . . ?
C65 C2 H2 120.0 . . ?
C127 C2 C65 120.0 . . ?
C127 C2 H2 120.0 . . ?
C63 C127 C20 119.3(16) . . ?
C2 C127 C20 120.7(16) . . ?
C2 C127 C63 120.0 . . ?
C71 C33 H33A 109.9 . . ?
C71 C33 H33B 109.9 . . ?
H33A C33 H33B 108.3 . . ?
C67 C33 C71 109.1(17) . . ?
C67 C33 H33A 109.9 . . ?
C67 C33 H33B 109.9 . . ?
C39 C133 H13A 114.1 . . ?
C39 C133 H13B 114.1 . . ?
H13A C133 H13B 111.3 . . ?
C67 C133 C39 87.4(18) . . ?
C67 C133 H13A 114.1 . . ?
C67 C133 H13B 114.1 . . ?
C33 C67 H67 115.6 . . ?
C33 C67 C135 110(2) . . ?
C133 C67 C33 108(2) . . ?
C133 C67 H67 115.6 . . ?
C133 C67 C135 88.7(16) . . ?
C135 C67 H67 115.6 . . ?
C39 C135 C67 85.9(15) . . ?
C17 C135 C39 111(2) . . ?
C17 C135 C67 109(2) . . ?
C137 C135 C39 121(2) . . ?
C137 C135 C67 118(2) . . ?
C137 C135 C17 110(2) . . ?
C135 C17 H17A 109.5 . . ?
C135 C17 H17B 109.5 . . ?
C135 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C135 C137 H13C 109.5 . . ?
C135 C137 H13D 109.5 . . ?
C135 C137 H13E 109.5 . . ?
H13C C137 H13D 109.5 . . ?
H13C C137 H13E 109.5 . . ?
H13D C137 H13E 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 Ti1 O4 Eu2 -105.9(4) . . . . ?
Eu1 Ti1 O4 Ti4 37.4(3) . . . . ?
Eu1 Ti1 O17 Ti2 57.7(9) . . . . ?
Eu1 Ti4 O16 Ti3 -63.1(9) . . . . ?
Eu1 Ti2 O17 Ti1 -57.8(9) . . . . ?
Eu1 Ti3 O16 Ti4 63.4(9) . . . . ?
Eu1 Ti3 O23 Ti2 -141.9(7) . . . . ?
Eu1 O12 C58 C64 -153.9(10) . . . . ?
Eu1 O12 C58 O3 26(2) . . . . ?
Eu1 O7 C28 O15 -8(2) . . . . ?
Eu1 O7 C28 C10 177.4(8) . . . . ?
Eu1 O9 C20 O1 -8(2) . . . . ?
Eu1 O9 C20 C42 169.0(14) . . . . ?
Eu1 O9 C20 C127 171.4(18) . . . . ?
Eu1 N6 C50 C95 -171.0(9) . . . . ?
Eu1 N6 C66 C77 -6.5(15) . . . . ?
Eu1 N6 C66 C25 171.3(10) . . . . ?
Eu1 N3 C132 C72 -176.8(11) . . . . ?
Eu1 N3 C77 C66 -6.7(16) . . . . ?
Eu1 N3 C77 C97 174.6(10) . . . . ?
Eu2 Ti1 O4 Ti4 143.3(7) . . . . ?
Eu2 Ti1 O17 Ti2 -58.4(9) . . . . ?
Eu2 Ti4 O16 Ti3 52.0(9) . . . . ?
Eu2 Ti2 O17 Ti1 58.1(9) . . . . ?
Eu2 Ti3 O16 Ti4 -51.9(9) . . . . ?
Eu2 Ti3 O23 Eu1 105.0(4) . . . . ?
Eu2 Ti3 O23 Ti2 -36.8(4) . . . . ?
Eu2 O8 C91 O22 -32(2) . . . . ?
Eu2 O8 C91 C16 151.2(11) . . . . ?
Eu2 O8 C91 C57 135.9(15) . . . . ?
Eu2 O18 C46 C48 -170.4(16) . . . . ?
Eu2 O18 C46 O25 10(2) . . . . ?
Eu2 O18 C46 C61 -169.8(13) . . . . ?
Eu2 O26 C82 O24 -2(2) . . . . ?
Eu2 O26 C82 C102 -176.8(8) . . . . ?
Eu2 N1 C80 C112 166.9(14) . . . . ?
Eu2 N1 C80 C45 -13.6(17) . . . . ?
Eu2 N4 C92 C3 156.5(11) . . . . ?
Eu2 N4 C45 C80 20.8(16) . . . . ?
Eu2 N4 C45 C130 -155.1(11) . . . . ?
Ti1 Ti4 O16 Ti3 -6.5(10) . . . . ?
Ti1 O22 C91 O8 0(2) . . . . ?
Ti1 O22 C91 C16 177.9(11) . . . . ?
Ti1 O22 C91 C57 -166.1(15) . . . . ?
Ti1 O13 C44 O5 2.0(19) . . . . ?
Ti1 O13 C44 C40 -178.2(8) . . . . ?
Ti1 O15 C28 O7 -22.7(19) . . . . ?
Ti1 O15 C28 C10 152.5(8) . . . . ?
Ti4 Ti1 O4 Eu2 -143.3(7) . . . . ?
Ti4 Ti1 O17 Ti2 -0.1(10) . . . . ?
Ti4 O5 C44 O13 5.6(19) . . . . ?
Ti4 O5 C44 C40 -174.3(7) . . . . ?
Ti2 Ti3 O16 Ti4 6.5(10) . . . . ?
Ti2 Ti3 O23 Eu1 141.9(7) . . . . ?
Ti2 O1 C20 O9 -32(2) . . . . ?
Ti2 O1 C20 C42 151.8(15) . . . . ?
Ti2 O1 C20 C127 149.3(17) . . . . ?
Ti2 O6 C56 C38 179.5(8) . . . . ?
Ti2 O6 C56 O11 -2(2) . . . . ?
Ti2 O14 C36 O20 -6.2(19) . . . . ?
Ti2 O14 C36 C90 173.5(7) . . . . ?
Ti3 Ti2 O17 Ti1 0.1(10) . . . . ?
Ti3 O20 C36 O14 -0.4(17) . . . . ?
Ti3 O20 C36 C90 179.9(7) . . . . ?
Ti3 O24 C82 O26 22.2(18) . . . . ?
Ti3 O24 C82 C102 -162.8(8) . . . . ?
O1 Ti2 O17 Ti1 -128.1(10) . . . . ?
O1 C20 C127 C63 171.1(19) . . . . ?
O1 C20 C127 C2 -10(3) . . . . ?
O4 Ti1 O17 Ti2 -41.0(10) . . . . ?
O4 Ti4 O16 Ti3 34.2(10) . . . . ?
O6 Ti2 O17 Ti1 135.2(9) . . . . ?
O6 C56 C38 C78 175.6(10) . . . . ?
O6 C56 C38 C12 -4.2(16) . . . . ?
O6 C56 O11 Eu2 -32(3) . . . . ?
O8 C91 C57 C119 161.6(14) . . . . ?
O8 C91 C57 C29 -29(2) . . . . ?
O10 Ti1 O4 Eu2 -131.7(5) . . . . ?
O10 Ti1 O4 Ti4 11.6(4) . . . . ?
O10 Ti1 O17 Ti2 42.1(10) . . . . ?
O10 Ti4 O16 Ti3 -48.2(10) . . . . ?
O12 C58 C64 C110 179.0(9) . . . . ?
O12 C58 C64 C60 -4.4(15) . . . . ?
O12 C58 O3 Ti4 0.8(19) . . . . ?
O14 C36 C90 C62 18.8(14) . . . . ?
O14 C36 C90 C8 -161.6(10) . . . . ?
O16 Ti3 O23 Eu1 31.3(6) . . . . ?
O16 Ti3 O23 Ti2 -110.6(4) . . . . ?
O18 C46 C48 C134 13(3) . . . . ?
O18 C46 C48 C124 -165.6(14) . . . . ?
O18 C46 O25 Ti4 33(2) . . . . ?
O18 C46 C61 C123 -161.5(13) . . . . ?
O18 C46 C61 C31 20(2) . . . . ?
O20 Ti3 O16 Ti4 -169.6(15) . . . . ?
O20 Ti3 O23 Eu1 -142.2(5) . . . . ?
O20 Ti3 O23 Ti2 75.9(4) . . . . ?
O20 C36 C90 C62 -161.4(9) . . . . ?
O20 C36 C90 C8 18.1(14) . . . . ?
O22 Ti1 O4 Eu2 58.1(5) . . . . ?
O22 Ti1 O4 Ti4 -158.6(4) . . . . ?
O22 Ti1 O17 Ti2 -133.3(10) . . . . ?
O22 C91 C57 C119 -30(2) . . . . ?
O22 C91 C57 C29 139.5(15) . . . . ?
O24 Ti3 O16 Ti4 -129.5(10) . . . . ?
C1 N1 C80 C112 3(2) . . . . ?
C1 N1 C80 C45 -177.1(14) . . . . ?
C1 C126 C9 C112 6(3) . . . . ?
O13 Ti1 O4 Eu2 141.4(5) . . . . ?
O13 Ti1 O4 Ti4 -75.4(4) . . . . ?
O13 Ti1 O17 Ti2 167.3(17) . . . . ?
O13 C44 C40 C37 -18.7(16) . . . . ?
O13 C44 C40 C136 163.3(10) . . . . ?
C6 C27 C113 C7 169(2) . . . . ?
O7 C28 C10 C81 1.8(15) . . . . ?
O7 C28 C10 C30 -175.1(10) . . . . ?
O15 Ti1 O17 Ti2 136.2(10) . . . . ?
O15 C28 C10 C81 -173.8(8) . . . . ?
O15 C28 C10 C30 9.3(14) . . . . ?
N1 C1 C126 C9 -2(3) . . . . ?
N1 C80 C112 C9 1(3) . . . . ?
N1 C80 C45 N4 -4.5(19) . . . . ?
N1 C80 C45 C130 171.2(15) . . . . ?
O2 Ti3 O16 Ti4 136.9(10) . . . . ?
O2 Ti3 O23 Eu1 -59.6(5) . . . . ?
O2 Ti3 O23 Ti2 158.6(4) . . . . ?
O2 C6 C75 C22 27(3) . . . . ?
O2 C6 C75 C11 -147.4(19) . . . . ?
O2 C6 O21 Eu1 27.9(19) . . . . ?
O2 C6 C27 C109 168.9(14) . . . . ?
O2 C6 C27 C113 0(2) . . . . ?
N4 C92 C3 C71 -2(2) . . . . ?
N4 C92 C3 C39 -170.5(14) . . . . ?
O17 Ti1 O4 Eu2 -33.7(6) . . . . ?
O17 Ti1 O4 Ti4 109.6(4) . . . . ?
O9 C20 C127 C63 -8(3) . . . . ?
O9 C20 C127 C2 170.8(18) . . . . ?
C16 C89 C13 C105 0.0 . . . . ?
C89 C16 C51 C83 0.0 . . . . ?
C89 C16 C91 O8 178.5(11) . . . . ?
C89 C16 C91 O22 0.9(16) . . . . ?
C89 C13 C105 C83 0.0 . . . . ?
C13 C105 C83 C51 0.0 . . . . ?
C105 C83 C51 C16 0.0 . . . . ?
C51 C16 C89 C13 0.0 . . . . ?
C51 C16 C91 O8 1.2(19) . . . . ?
C51 C16 C91 O22 -176.5(11) . . . . ?
N6 C50 C95 C96 -1.1(18) . . . . ?
N6 C50 C95 C21 -179.4(12) . . . . ?
N6 C66 C77 N3 8.3(17) . . . . ?
N6 C66 C77 C97 -173.0(13) . . . . ?
N6 C66 C25 C96 0(2) . . . . ?
C18 C87 C69 C19 0.0 . . . . ?
C18 C42 C20 O1 157.4(15) . . . . ?
C18 C42 C20 O9 -20(2) . . . . ?
C87 C18 C42 C52 0.0 . . . . ?
C87 C18 C42 C20 178(2) . . . . ?
C87 C69 C19 C52 0.0 . . . . ?
C69 C19 C52 C42 0.0 . . . . ?
C19 C52 C42 C18 0.0 . . . . ?
C19 C52 C42 C20 -178(2) . . . . ?
C52 C42 C20 O1 -25(3) . . . . ?
C52 C42 C20 O9 158.0(17) . . . . ?
C42 C18 C87 C69 0.0 . . . . ?
O19 Ti2 O17 Ti1 41.8(10) . . . . ?
O19 Ti3 O16 Ti4 -35.7(10) . . . . ?
O19 Ti3 O23 Eu1 130.2(5) . . . . ?
O19 Ti3 O23 Ti2 -11.7(4) . . . . ?
O5 C44 C40 C37 161.2(10) . . . . ?
O5 C44 C40 C136 -16.9(14) . . . . ?
C22 C94 C85 C107 0.0 . . . . ?
C94 C22 C75 C6 -174(3) . . . . ?
C94 C22 C75 C11 0.0 . . . . ?
C94 C85 C107 C11 0.0 . . . . ?
C85 C107 C11 C75 0.0 . . . . ?
C107 C11 C75 C6 174(3) . . . . ?
C107 C11 C75 C22 0.0 . . . . ?
C75 C6 O2 Ti3 171.4(19) . . . . ?
C75 C6 O21 Eu1 -145.5(19) . . . . ?
C75 C22 C94 C85 0.0 . . . . ?
C24 C116 C120 C88 0.0 . . . . ?
C24 C102 C82 O24 -174.8(9) . . . . ?
C24 C102 C82 O26 0.4(14) . . . . ?
C116 C24 C102 C98 0.0 . . . . ?
C116 C24 C102 C82 174.8(9) . . . . ?
C116 C120 C88 C98 0.0 . . . . ?
C120 C88 C98 C102 0.0 . . . . ?
C88 C98 C102 C24 0.0 . . . . ?
C88 C98 C102 C82 -175.0(9) . . . . ?
C98 C102 C82 O24 0.1(13) . . . . ?
C98 C102 C82 O26 175.3(9) . . . . ?
C102 C24 C116 C120 0.0 . . . . ?
N3 C77 C97 C41 1(2) . . . . ?
C36 C90 C8 C14 -179.5(10) . . . . ?
C46 C48 C134 C49 -178(2) . . . . ?
C46 C48 C124 C26 178(2) . . . . ?
C46 C61 C31 C125 178(2) . . . . ?
C48 C46 O25 Ti4 -146.5(15) . . . . ?
C48 C134 C49 C34 0.0 . . . . ?
C134 C48 C124 C26 0.0 . . . . ?
C134 C49 C34 C26 0.0 . . . . ?
C49 C34 C26 C124 0.0 . . . . ?
C34 C26 C124 C48 0.0 . . . . ?
C124 C48 C134 C49 0.0 . . . . ?
C50 N6 C66 C77 -179.4(11) . . . . ?
C50 N6 C66 C25 -1.7(18) . . . . ?
C56 C38 C12 C43 179.8(10) . . . . ?
C58 C64 C110 C4 176.5(10) . . . . ?
C58 C64 C60 C108 -176.5(10) . . . . ?
O21 C6 O2 Ti3 -2(2) . . . . ?
O21 C6 C75 C22 -159.8(17) . . . . ?
O21 C6 C75 C11 26(3) . . . . ?
O21 C6 C27 C109 -4(3) . . . . ?
O21 C6 C27 C113 -173.6(13) . . . . ?
C62 C90 C8 C14 0.0 . . . . ?
C90 C62 C54 C68 0.0 . . . . ?
C90 C8 C14 C68 0.0 . . . . ?
C8 C14 C68 C54 0.0 . . . . ?
C14 C68 C54 C62 0.0 . . . . ?
C54 C62 C90 C36 179.5(10) . . . . ?
C54 C62 C90 C8 0.0 . . . . ?
C64 C58 O3 Ti4 -179.5(8) . . . . ?
C64 C110 C4 C86 0.0 . . . . ?
C110 C64 C60 C108 0.0 . . . . ?
C110 C4 C86 C108 0.0 . . . . ?
C4 C86 C108 C60 0.0 . . . . ?
C86 C108 C60 C64 0.0 . . . . ?
C60 C64 C110 C4 0.0 . . . . ?
C66 N6 C50 C95 2.2(18) . . . . ?
C66 C77 C97 C41 -177.4(14) . . . . ?
C70 C32 C78 C38 0.0 . . . . ?
C32 C70 C43 C12 0.0 . . . . ?
C32 C78 C38 C56 -179.8(10) . . . . ?
C32 C78 C38 C12 0.0 . . . . ?
C78 C38 C12 C43 0.0 . . . . ?
C38 C56 O11 Eu2 146.7(11) . . . . ?
C38 C12 C43 C70 0.0 . . . . ?
C43 C70 C32 C78 0.0 . . . . ?
C72 C41 C97 C77 -1(2) . . . . ?
C74 C39 C3 C92 -150.1(19) . . . . ?
C74 C39 C3 C71 41(2) . . . . ?
C74 C23 C93 C71 -46(3) . . . . ?
C80 C112 C9 C126 -6(4) . . . . ?
O11 C56 C38 C78 -3.0(17) . . . . ?
O11 C56 C38 C12 177.2(11) . . . . ?
C84 C35 C21 C104 -83.6(14) . . . . ?
C84 C35 C21 C95 167.6(13) . . . . ?
C84 C35 C99 C104 86.0(15) . . . . ?
C84 C35 C99 C103 -165.9(14) . . . . ?
O23 Ti2 O17 Ti1 -39.2(10) . . . . ?
O23 Ti3 O16 Ti4 47.2(10) . . . . ?
O3 Ti4 O16 Ti3 -140.8(9) . . . . ?
O3 C58 C64 C110 -0.6(15) . . . . ?
O3 C58 C64 C60 175.9(9) . . . . ?
C92 N4 C45 C80 176.3(12) . . . . ?
C92 N4 C45 C130 0(2) . . . . ?
C104 C21 C95 C50 133.5(13) . . . . ?
C104 C21 C95 C96 -44.8(15) . . . . ?
C104 C99 C103 C96 47.2(16) . . . . ?
C106 C74 C39 C73 -77(3) . . . . ?
C106 C74 C39 C3 174(2) . . . . ?
C106 C74 C23 C73 82(3) . . . . ?
C106 C74 C23 C93 -168(3) . . . . ?
C112 C80 C45 N4 175.1(16) . . . . ?
C112 C80 C45 C130 -9(2) . . . . ?
O25 Ti4 O16 Ti3 121.4(10) . . . . ?
O25 C46 C48 C134 -167.8(13) . . . . ?
O25 C46 C48 C124 14(2) . . . . ?
O25 C46 C61 C123 19(2) . . . . ?
O25 C46 C61 C31 -159.7(13) . . . . ?
C122 C74 C39 C73 146(3) . . . . ?
C122 C74 C39 C3 37(3) . . . . ?
C122 C74 C23 C73 -152(3) . . . . ?
C122 C74 C23 C93 -42(3) . . . . ?
C126 C1 N1 Eu2 -166.4(14) . . . . ?
C126 C1 N1 C80 -3(2) . . . . ?
C130 C71 C93 C23 -169(2) . . . . ?
C130 C71 C3 C92 3(2) . . . . ?
C130 C71 C3 C39 172.8(15) . . . . ?
C130 C71 C33 C67 -174(2) . . . . ?
C132 N3 C77 C66 179.0(12) . . . . ?
C132 N3 C77 C97 0(2) . . . . ?
C132 C72 C41 C97 -1(2) . . . . ?
C35 C21 C95 C50 -132.2(13) . . . . ?
C35 C21 C95 C96 49.5(15) . . . . ?
C35 C99 C103 C96 -47.1(19) . . . . ?
C71 C130 C45 N4 1(2) . . . . ?
C71 C130 C45 C80 -174.8(15) . . . . ?
C71 C33 C67 C133 42(3) . . . . ?
C71 C33 C67 C135 -53(3) . . . . ?
C73 C39 C3 C92 115(2) . . . . ?
C73 C39 C3 C71 -54(2) . . . . ?
C73 C23 C93 C71 49(3) . . . . ?
C37 C79 C76 C138 0.0 . . . . ?
C79 C37 C40 C44 -178.0(10) . . . . ?
C79 C37 C40 C136 0.0 . . . . ?
C79 C76 C138 C136 0.0 . . . . ?
C76 C138 C136 C40 0.0 . . . . ?
C138 C136 C40 C44 178.0(10) . . . . ?
C138 C136 C40 C37 0.0 . . . . ?
C40 C37 C79 C76 0.0 . . . . ?
C77 N3 C132 C72 -2(2) . . . . ?
C77 C66 C25 C96 177.7(12) . . . . ?
C39 C74 C23 C73 -30.0(18) . . . . ?
C39 C74 C23 C93 80(2) . . . . ?
C39 C73 C23 C74 29.4(17) . . . . ?
C39 C73 C23 C93 -80(2) . . . . ?
C39 C133 C67 C33 -85(2) . . . . ?
C39 C133 C67 C135 26.4(16) . . . . ?
C81 C128 C114 C118 0.0 . . . . ?
C128 C81 C10 C28 -176.9(10) . . . . ?
C128 C81 C10 C30 0.0 . . . . ?
C128 C114 C118 C30 0.0 . . . . ?
C114 C118 C30 C10 0.0 . . . . ?
C118 C30 C10 C28 176.9(10) . . . . ?
C118 C30 C10 C81 0.0 . . . . ?
C10 C81 C128 C114 0.0 . . . . ?
C41 C72 C132 N3 3(2) . . . . ?
C21 C104 C99 C35 29.3(10) . . . . ?
C21 C104 C99 C103 -84.7(12) . . . . ?
C21 C35 C99 C104 -28.4(9) . . . . ?
C21 C35 C99 C103 79.8(13) . . . . ?
C45 N4 C92 C3 0.2(19) . . . . ?
C45 C80 C112 C9 -178.6(19) . . . . ?
C45 C130 C71 C93 159(3) . . . . ?
C45 C130 C71 C3 -3(3) . . . . ?
C45 C130 C71 C33 -174(2) . . . . ?
C91 C16 C89 C13 -177.3(16) . . . . ?
C91 C16 C51 C83 177.3(16) . . . . ?
C91 C57 C119 C115 169(2) . . . . ?
C91 C57 C29 C117 -169(2) . . . . ?
C23 C74 C39 C73 28.2(18) . . . . ?
C23 C74 C39 C3 -81.1(19) . . . . ?
C23 C73 C39 C74 -30.1(17) . . . . ?
C23 C73 C39 C3 84.4(17) . . . . ?
C93 C71 C3 C92 -160(2) . . . . ?
C93 C71 C3 C39 10(3) . . . . ?
C47 C35 C21 C104 144.2(15) . . . . ?
C47 C35 C21 C95 35.4(19) . . . . ?
C47 C35 C99 C104 -149.1(13) . . . . ?
C47 C35 C99 C103 -41.0(19) . . . . ?
C95 C96 C25 C66 1(2) . . . . ?
C95 C96 C103 C99 1.6(19) . . . . ?
C3 C71 C93 C23 -6(4) . . . . ?
C3 C71 C33 C67 15(3) . . . . ?
C3 C39 C133 C67 82.1(16) . . . . ?
C3 C39 C135 C67 -80.7(18) . . . . ?
C3 C39 C135 C17 170.4(19) . . . . ?
C3 C39 C135 C137 40(3) . . . . ?
C99 C104 C21 C35 -28.6(10) . . . . ?
C99 C104 C21 C95 82.1(11) . . . . ?
C99 C35 C21 C104 29.6(9) . . . . ?
C99 C35 C21 C95 -79.2(11) . . . . ?
C25 C66 C77 N3 -169.4(13) . . . . ?
C25 C66 C77 C97 9(2) . . . . ?
C25 C96 C95 C50 -0.7(17) . . . . ?
C25 C96 C95 C21 177.8(12) . . . . ?
C25 C96 C103 C99 179.7(14) . . . . ?
C103 C96 C95 C50 177.5(12) . . . . ?
C103 C96 C95 C21 -3.9(17) . . . . ?
C103 C96 C25 C66 -177.0(13) . . . . ?
C55 C109 C27 C6 -169(2) . . . . ?
C55 C109 C27 C113 0.0 . . . . ?
C109 C55 C111 C7 0.0 . . . . ?
C109 C27 C113 C7 0.0 . . . . ?
C27 C6 O2 Ti3 -174.9(15) . . . . ?
C27 C6 O21 Eu1 -159.6(16) . . . . ?
C27 C113 C7 C111 0.0 . . . . ?
C113 C7 C111 C55 0.0 . . . . ?
C111 C55 C109 C27 0.0 . . . . ?
C57 C119 C115 C59 0.0 . . . . ?
C119 C57 C29 C117 0.0 . . . . ?
C119 C115 C59 C117 0.0 . . . . ?
C115 C59 C117 C29 0.0 . . . . ?
C59 C117 C29 C57 0.0 . . . . ?
C29 C57 C119 C115 0.0 . . . . ?
C15 C123 C61 C46 -178(2) . . . . ?
C15 C123 C61 C31 0.0 . . . . ?
C123 C15 C121 C125 0.0 . . . . ?
C123 C61 C31 C125 0.0 . . . . ?
C61 C46 O25 Ti4 -147.0(15) . . . . ?
C61 C31 C125 C121 0.0 . . . . ?
C31 C125 C121 C15 0.0 . . . . ?
C121 C15 C123 C61 0.0 . . . . ?
C63 C131 C129 C65 0.0 . . . . ?
C131 C63 C127 C20 179(3) . . . . ?
C131 C63 C127 C2 0.0 . . . . ?
C131 C129 C65 C2 0.0 . . . . ?
C129 C65 C2 C127 0.0 . . . . ?
C65 C2 C127 C20 -179(3) . . . . ?
C65 C2 C127 C63 0.0 . . . . ?
C127 C63 C131 C129 0.0 . . . . ?
C33 C71 C3 C92 175(2) . . . . ?
C33 C71 C3 C39 -16(3) . . . . ?
C33 C67 C135 C39 81(2) . . . . ?
C33 C67 C135 C17 -168(2) . . . . ?
C33 C67 C135 C137 -42(3) . . . . ?
C133 C39 C3 C92 133.4(19) . . . . ?
C133 C39 C3 C71 -35(2) . . . . ?
C133 C39 C135 C67 25.2(17) . . . . ?
C133 C39 C135 C17 -84(2) . . . . ?
C133 C39 C135 C137 146(2) . . . . ?
C133 C67 C135 C39 -27.3(17) . . . . ?
C133 C67 C135 C17 83(2) . . . . ?
C133 C67 C135 C137 -150(2) . . . . ?
C135 C39 C3 C92 -135.7(18) . . . . ?
C135 C39 C3 C71 56(2) . . . . ?
C135 C39 C133 C67 -26.9(16) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 47 electrons were 
found in a volume of 199Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
1[C2H3N], 1[C2H3N] per Unit Cell 
which account for 44 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.074 0.345 0.205 94 24 '1 MeCN'
2 -0.106 0.644 0.768 105 23 '1 MeCN'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.151
_oxdiff_exptl_absorpt_empirical_full_min 0.777
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.95535
2 0.04465

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 2214395'
loop_
_audit_author_name
_audit_author_address
'Xiang-Jian kong'
;Xiamen University
China
;
_audit_update_record             
;
2022-11-29 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C104 H86 Eu2 N4 O26 Ti4'
_chemical_formula_sum            'C104 H86 Eu2 N4 O26 Ti4'
_chemical_formula_weight         2303.28
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         C108Eu2N6O26Ti4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2191 1.8069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   13.0912(3)
_cell_length_b                   14.7170(4)
_cell_length_c                   15.1448(4)
_cell_angle_alpha                67.337(3)
_cell_angle_beta                 89.583(2)
_cell_angle_gamma                73.074(2)
_cell_volume                     2557.66(13)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    16931
_cell_measurement_temperature    100.00(13)
_cell_measurement_theta_max      73.1280
_cell_measurement_theta_min      3.1810
_shelx_estimated_absorpt_T_max   0.332
_shelx_estimated_absorpt_T_min   0.172
_exptl_absorpt_coefficient_mu    11.792
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.110a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            32698
_diffrn_reflns_point_group_measured_fraction_full 0.699
_diffrn_reflns_point_group_measured_fraction_max 0.662
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.325
_diffrn_reflns_theta_min         3.185
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     20.00 116.00   0.50    0.05    --   42.11  36.00  59.00  192
  2  ω     83.00 178.00   0.50    0.15    --  104.75  36.00  59.00  190
  3  ω    134.00 160.00   0.50    0.15    --  104.75  45.00 120.00   52
  4  ω     90.00 127.00   0.50    0.15    --  104.75  45.00 120.00   74
  5  ω     82.00 174.00   0.50    0.15    --  104.75  30.00 150.00  184
  6  ω     81.00 173.00   0.50    0.15    --  104.75  30.00-180.00  184
  7  ω    -13.00  31.00   0.50    0.05    --  -42.11  36.00  59.00   88
  8  ω    -14.00  30.00   0.50    0.05    --  -42.11  19.00-150.00   88
  9  ω    -21.00  39.00   0.50    0.05    --  -42.11  19.00 -60.00  120
 10  ω     21.00  94.00   0.50    0.05    --   42.11-125.00 150.00  146
 11  ω     31.00  83.00   0.50    0.15    --  104.75-125.00  30.00  104
 12  ω     66.00 112.00   0.50    0.15    --  104.75-125.00   0.00   92
 13  ω     82.00 112.00   0.50    0.15    --  104.75-125.00 -60.00   60
 14  ω     32.00 111.00   0.50    0.15    --  104.75-125.00 150.00  158
 15  ω     40.00  90.00   0.50    0.15    --  104.75 -95.00   0.00  100
 16  ω     43.00  69.00   0.50    0.15    --  104.75-125.00 -60.00   52
 17  ω     44.00 110.00   0.50    0.15    --  104.75-125.00-180.00  132
 18  ω     55.00  80.00   0.50    0.15    --  104.75 -77.00-120.00   50
 19  ω     37.00  72.00   0.50    0.15    --  104.75 -61.00-120.00   70
 20  ω     33.00  97.00   0.50    0.15    --  104.75 -77.00   0.00  128
 21  ω     52.00  83.00   0.50    0.15    --  104.75 -77.00  30.00   62
 22  ω     32.00  72.00   0.50    0.15    --  104.75 -61.00 150.00   80
 23  ω     37.00  73.00   0.50    0.15    --  104.75 -61.00  60.00   72
 24  ω     31.00  72.00   0.50    0.15    --  104.75 -61.00  30.00   82
 25  ω    -35.00  42.00   0.50    0.05    --   42.11 -36.00 -96.00  154
 26  ω    115.00 173.00   0.50    0.15    --  104.75 125.00 -30.00  116
 27  ω   -175.00 -85.00   0.50    0.15    --  -99.00 -36.00 -96.00  180
 28  ω   -101.00 -23.00   0.50    0.05    --  -42.11 -36.00 -96.00  156
 29  ω     82.00 115.00   0.50    0.15    --  104.75 125.00-120.00   66
 30  ω    143.00 170.00   0.50    0.15    --  104.75 125.00-120.00   54
 31  ω   -102.00 -27.00   0.50    0.15    --  -99.00  77.00 -30.00  150
 32  ω    -65.00 -32.00   0.50    0.15    --  -99.00  61.00 -90.00   66
 33  ω    -49.00 -24.00   0.50    0.15    --  -99.00  45.00 -90.00   50
 34  ω    -82.00 -49.00   0.50    0.15    --  -99.00  77.00-150.00   66
 35  ω    -68.00 -28.00   0.50    0.15    --  -99.00  61.00-150.00   80
 36  ω   -120.00 -94.00   0.50    0.15    --  -99.00 136.00 -30.56   52
 37  ω   -111.00 -85.00   0.50    0.15    --  -99.00 125.00 -90.00   52
 38  ω   -112.00 -78.00   0.50    0.15    --  -99.00 125.00-180.00   68
 39  ω    -70.00 -30.00   0.50    0.15    --  -99.00 125.00-180.00   80
 40  ω    -56.00 -29.00   0.50    0.15    --  -99.00 125.00 -90.00   54
 41  ω    -57.00 -30.00   0.50    0.15    --  -99.00 136.00 -30.56   54
 42  ω   -109.00 -61.00   0.50    0.15    --  -99.00 116.00  36.90   96
 43  ω    -89.00 -44.00   0.50    0.05    --  -42.11 125.00  90.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0421320000
_diffrn_orient_matrix_UB_12      0.0928750000
_diffrn_orient_matrix_UB_13      -0.0488122000
_diffrn_orient_matrix_UB_21      -0.1027517000
_diffrn_orient_matrix_UB_22      0.0723173000
_diffrn_orient_matrix_UB_23      0.0166170000
_diffrn_orient_matrix_UB_31      0.0549052000
_diffrn_orient_matrix_UB_32      -0.0201264000
_diffrn_orient_matrix_UB_33      0.0983197000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.377
_reflns_Friedel_fraction_full    0.400
_reflns_Friedel_fraction_max     0.363
_reflns_number_gt                12689
_reflns_number_total             13819
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.110a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.559
_refine_diff_density_min         -1.656
_refine_diff_density_rms         0.108
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.052(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1420
_refine_ls_number_reflns         13819
_refine_ls_number_restraints     1170
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0620
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1234P)²+1.9977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1702
_refine_ls_wR_factor_ref         0.1742
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9485
 0.0515
2. Restrained distances
 C32-C94 \\sim C32-C94A
 with sigma of 0.02
 C82-C92 \\sim C82A-C92A
 with sigma of 0.02
 C69-C94 \\sim C69A-C94A
 with sigma of 0.02
 C72-C92 \\sim C72A-C92A
 with sigma of 0.04
 C69-C53 \\sim C69A-C53A
 with sigma of 0.02
 C30-C82 \\sim C30-C82A
 with sigma of 0.02
 C30-C72 \\sim C30-C72A
 with sigma of 0.04
 C94-C46 \\sim C94A-C46A
 with sigma of 0.02
 C92-C96 \\sim C92A-C96A
 with sigma of 0.04
 C46-C93 \\sim C46A-C93A
 with sigma of 0.02
 C93-C47 \\sim C93A-C47A
 with sigma of 0.02
 C47-C53 \\sim C47A-C53A
 with sigma of 0.02
 C32-C69 \\sim C32-C69A
 with sigma of 0.04
 C32-C46 \\sim C32-C46A
 with sigma of 0.04
 C69-C46 \\sim C69A-C46A
 with sigma of 0.04
 C69-C47 \\sim C69A-C47A
 with sigma of 0.04
 C50-C96 \\sim C50A-C96A
 with sigma of 0.02
 C94-C93 \\sim C94A-C93A
 with sigma of 0.04
 C72-C82 \\sim C72A-C82A
 with sigma of 0.02
 C94-C53 \\sim C94A-C53A
 with sigma of 0.04
 C96-C98 \\sim C96A-C98A
 with sigma of 0.02
 C46-C47 \\sim C46A-C47A
 with sigma of 0.04
 C50-C82 \\sim C50A-C82A
 with sigma of 0.04
 C93-C53 \\sim C93A-C53A
 with sigma of 0.04
 C20-C64 \\sim C20A-C64A
 with sigma of 0.02
 C20-C70 \\sim C20A-C70
 with sigma of 0.02
 C20-C84 \\sim C20A-C84A
 with sigma of 0.02
 C64-C66 \\sim C64A-C66A
 with sigma of 0.02
 C84-C101 \\sim C84A-C114
 with sigma of 0.02
 C50-C92 \\sim C50A-C92A
 with sigma of 0.02
 C72-C98 \\sim C72A-C98A
 with sigma of 0.02
 C20-C66 \\sim C20A-C66A
 with sigma of 0.04
 C30-C92 \\sim C30-C92A
 with sigma of 0.04
 C20-C101 \\sim C20A-C114
 with sigma of 0.04
 C50-C98 \\sim C50A-C98A
 with sigma of 0.04
 C64-C70 \\sim C64A-C70
 with sigma of 0.04
 C64-C84 \\sim C64A-C84A
 with sigma of 0.04
 C72-C96 \\sim C72A-C96A
 with sigma of 0.04
 C64-C51 \\sim C64A-C51A
 with sigma of 0.04
 C82-C98 \\sim C82A-C98A
 with sigma of 0.04
 C66-C101 \\sim C66A-C114
 with sigma of 0.04
 C66-C51 \\sim C66A-C51A
 with sigma of 0.04
 C70-C84 \\sim C70-C84A
 with sigma of 0.04
 C84-C51 \\sim C84A-C51A
 with sigma of 0.04
 C101-C51 \\sim C114-C51A
 with sigma of 0.04
 C35-C7 \\sim C35A-C7A
 with sigma of 0.04
 C65-C5 \\sim C65A-C5
 with sigma of 0.02
 C5-C87 \\sim C5-C87A
 with sigma of 0.04
 C35-C71 \\sim C35A-C71A
 with sigma of 0.02
 C65-C85 \\sim C65A-C85A
 with sigma of 0.02
 C74-C35 \\sim C74A-C35A
 with sigma of 0.02
 C65-C87 \\sim C65A-C87A
 with sigma of 0.02
 C71-C97 \\sim C71A-C97A
 with sigma of 0.04
 C75-C85 \\sim C75A-C85A
 with sigma of 0.02
 C79-C97 \\sim C79-C97A
 with sigma of 0.04
 C75-C7 \\sim C75A-C7A
 with sigma of 0.02
 C85-C7 \\sim C85A-C7A
 with sigma of 0.04
 C79-C87 \\sim C79-C87A
 with sigma of 0.02
 C35-C87 \\sim C35A-C87A
 with sigma of 0.04
 C87-C97 \\sim C87A-C97A
 with sigma of 0.02
 C97-C7 \\sim C97A-C7A
 with sigma of 0.02
 C71-C75 \\sim C71A-C75A
 with sigma of 0.04
 C75-C97 \\sim C75A-C97A
 with sigma of 0.04
 C74-C71 \\sim C74A-C71A
 with sigma of 0.04
 C74-C75 \\sim C74A-C75A
 with sigma of 0.04
 C5-C85 \\sim C5-C85A
 with sigma of 0.04
 C74-C97 \\sim C74A-C97A
 with sigma of 0.04
 C85-C87 \\sim C85A-C87A
 with sigma of 0.04
 C87-C7 \\sim C87A-C7A
 with sigma of 0.04
 C65-C75 \\sim C65A-C75A
 with sigma of 0.04
 C65-C79 \\sim C65A-C79
 with sigma of 0.04
 C65-C97 \\sim C65A-C97A
 with sigma of 0.04
 C35-C85 \\sim C35A-C85A
 with sigma of 0.04
 C35-C75 \\sim C35A-C75A
 with sigma of 0.02
 C35-C97 \\sim C35A-C97A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C50 \\sim C72 \\sim C82 \\sim C92 \\sim C96 \\sim C98 \\sim C72A \\sim C82A
\\sim C92A \\sim C96A \\sim C98A \\sim C50A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
C20 \\sim C64 \\sim C66 \\sim C84 \\sim C101 \\sim C51 \\sim C20A \\sim C64A
\\sim C66A \\sim C84A \\sim C114 \\sim C51A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
C69 \\sim C94 \\sim C46 \\sim C93 \\sim C47 \\sim C53 \\sim C47A \\sim C93A
\\sim C46A \\sim C94A \\sim C69A \\sim C32 \\sim C53A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C52 \\sim C63 \\sim C21 \\sim C45 \\sim C25 \\sim C103 \\sim C13 \\sim C109
\\sim C55 \\sim C111 \\sim C11 \\sim C107: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
C74 \\sim C35 \\sim C71 \\sim C75 \\sim C85 \\sim C74A \\sim C35A \\sim C71A
\\sim C75A \\sim C85A \\sim C31 \\sim C37 \\sim C79 \\sim C5 \\sim C91 \\sim
C65 \\sim C87 \\sim C97 \\sim C7 \\sim C97A \\sim C7A \\sim C65A \\sim C87A
\\sim C23 \\sim C41 \\sim C3 \\sim N6 \\sim N3: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
Uanis(O22) = Uanis(O20)
4. Others
 Sof(C107)=Sof(H107)=Sof(C109)=Sof(C111)=Sof(H111)=Sof(C55)=Sof(H55)=Sof(C103)=
 Sof(H103)=Sof(C13)=Sof(H13)=1-FVAR(1)
 Sof(C11)=Sof(H11)=Sof(C52)=Sof(C21)=Sof(H21)=Sof(C63)=Sof(H63)=Sof(C45)=
 Sof(H45)=Sof(C25)=Sof(H25)=FVAR(1)
 Sof(C69A)=Sof(H69A)=Sof(C94A)=Sof(C46A)=Sof(H46A)=Sof(C93A)=Sof(H93A)=
 Sof(C47A)=Sof(H47A)=Sof(C53A)=Sof(H53A)=1-FVAR(2)
 Sof(C69)=Sof(H69)=Sof(C94)=Sof(C46)=Sof(H46)=Sof(C93)=Sof(H93)=Sof(C47)=
 Sof(H47)=Sof(C53)=Sof(H53)=FVAR(2)
 Sof(C20A)=Sof(C64A)=Sof(H64A)=Sof(C66A)=Sof(H66A)=Sof(C84A)=Sof(H84A)=
 Sof(C114)=Sof(H114)=Sof(C51A)=Sof(H51A)=1-FVAR(3)
 Sof(C84)=Sof(H84)=Sof(C20)=Sof(C64)=Sof(H64)=Sof(C66)=Sof(H66)=Sof(C51)=
 Sof(H51)=Sof(C101)=Sof(H101)=FVAR(3)
 Sof(C82A)=Sof(C72A)=Sof(H72A)=Sof(C98A)=Sof(H98A)=Sof(C96A)=Sof(H96A)=
 Sof(C50A)=Sof(H50A)=Sof(C92A)=Sof(H92A)=1-FVAR(4)
 Sof(C82)=Sof(C72)=Sof(H72)=Sof(C98)=Sof(H98)=Sof(C96)=Sof(H96)=Sof(C50)=
 Sof(H50)=Sof(C92)=Sof(H92)=FVAR(4)
 Sof(H79A)=Sof(H5B)=Sof(C74A)=Sof(H74D)=Sof(H74E)=Sof(H74F)=Sof(C35A)=
 Sof(C71A)=Sof(H71D)=Sof(H71E)=Sof(H71F)=Sof(C75A)=Sof(H75A)=Sof(C85A)=
 Sof(H85C)=Sof(H85D)=Sof(C97A)=Sof(H97A)=Sof(C7A)=Sof(H7AA)=Sof(H7AB)=Sof(C65A)=
 Sof(C87A)=1-FVAR(5)
 Sof(C74)=Sof(H74A)=Sof(H74B)=Sof(H74C)=Sof(C65)=Sof(C35)=Sof(C71)=Sof(H71A)=
 Sof(H71B)=Sof(H71C)=Sof(C75)=Sof(H75)=Sof(H79)=Sof(H5A)=Sof(C85)=Sof(H85A)=
 Sof(H85B)=Sof(C87)=Sof(C97)=Sof(H97)=Sof(C7)=Sof(H7A)=Sof(H7B)=FVAR(5)
5.a Ternary CH refined with riding coordinates:
 C75(H75), C77(H77), C97(H97), C49(H49), C75A(H75A), C97A(H97A)
5.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C83(H83A,H83B), C85(H85A,H85B), C7(H7A,H7B), C85A(H85C,H85D),
 C7A(H7AA,H7AB)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C6(H6), C8(H8), C10(H10), C12(H12), C16(H16), C4(H4), C105(H105),
 C28(H28), C112(H112), C43(H43), C34(H34), C73(H73), C113(H113), C90(H90),
 C76(H76), C38(H38), C99(H99), C14(H14), C33(H33), C86(H86), C81(H81), C9(H9),
 C15(H15), C106(H106), C60(H60), C72(H72), C98(H98), C96(H96), C50(H50),
 C92(H92), C84(H84), C64(H64), C66(H66), C51(H51), C101(H101), C88(H88),
 C102(H102), C57(H57), C59(H59), C69(H69), C46(H46), C93(H93), C47(H47),
 C53(H53), C37(H37), C19(H19), C79(H79), C79(H79A), C5(H5A), C5(H5B), C41(H41),
 C11(H11), C21(H21), C63(H63), C45(H45), C25(H25), C91(H91), C95(H95), C24(H24),
  C54(H54), C27(H27), C29(H29), C3(H3), C107(H107), C111(H111), C55(H55),
 C103(H103), C13(H13), C69A(H69A), C46A(H46A), C93A(H93A), C47A(H47A),
 C53A(H53A), C64A(H64A), C66A(H66A), C84A(H84A), C114(H114), C51A(H51A),
 C72A(H72A), C98A(H98A), C96A(H96A), C50A(H50A), C92A(H92A)
5.d Fitted hexagon refined as free rotating group:
 C18(C4,C105,C28,C112,C43), C26(C34,C73,C113,C90,C76), C38(C108,C99,C14,C33,
 C86), C56(C81,C9,C15,C106,C60), C82(C72,C98,C96,C50,C92), C84(C20,C64,C66,C51,
 C101), C69(C94,C46,C93,C47,C53), C11(C52,C21,C63,C45,C25), C95(C24,C54,C27,C29,
 C48), C107(C109,C111,C55,C103,C13), C69A(C94A,C46A,C93A,C47A,C53A), C82A(C72A,
 C98A,C96A,C50A,C92A)
5.e Idealised Me refined as rotating group:
 C74(H74A,H74B,H74C), C61(H61A,H61B,H61C), C71(H71A,H71B,H71C), C39(H39A,H39B,
 H39C), C74A(H74D,H74E,H74F), C71A(H71D,H71E,H71F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.52165(4) 0.61447(3) 0.42230(3) 0.04103(19) Uani 1 1 d . . . . .
Eu2 Eu 0.48401(4) 0.18266(3) 0.57929(3) 0.03979(19) Uani 1 1 d . . . . .
Ti1 Ti 0.34543(18) 0.45891(17) 0.40844(19) 0.0434(5) Uani 1 1 d . . . . .
Ti4 Ti 0.55827(19) 0.38066(18) 0.36689(18) 0.0431(5) Uani 1 1 d . . . . .
Ti2 Ti 0.44484(18) 0.41713(16) 0.63475(18) 0.0420(5) Uani 1 1 d . . . . .
Ti3 Ti 0.65812(18) 0.33932(17) 0.59369(18) 0.0425(5) Uani 1 1 d . . . . .
O1 O 0.2939(8) 0.2438(7) 0.5435(7) 0.052(2) Uani 1 1 d . . . . .
O4 O 0.2225(7) 0.3993(6) 0.4207(6) 0.0441(18) Uani 1 1 d . . . . .
O6 O 0.6343(7) 0.1259(6) 0.4992(6) 0.0457(19) Uani 1 1 d . . . . .
O8 O 0.6030(8) 0.6177(7) 0.2752(7) 0.052(2) Uani 1 1 d . . . . .
O10 O 0.6919(7) 0.3217(7) 0.7372(7) 0.051(2) Uani 1 1 d . . . . .
O12 O 0.6417(7) 0.2461(6) 0.3542(6) 0.0443(18) Uani 1 1 d . . . . .
O14 O 0.4678(7) 0.5027(6) 0.3721(7) 0.0442(18) Uani 1 1 d . . . . .
O16 O 0.5262(7) 0.3930(6) 0.7655(7) 0.0472(19) Uani 1 1 d . . . . .
O18 O 0.6526(7) 0.3447(7) 0.4732(7) 0.050(2) Uani 1 1 d . . . . .
O20 O 0.5545(6) 0.4701(6) 0.5701(6) 0.0402(8) Uani 1 1 d . . . . .
O22 O 0.4497(6) 0.3269(6) 0.4289(6) 0.0402(8) Uani 1 1 d . . . . .
O24 O 0.6425(7) 0.0861(7) 0.6935(7) 0.049(2) Uani 1 1 d . . . . .
O26 O 0.3562(7) 0.3367(6) 0.7247(8) 0.053(2) Uani 1 1 d . . . . .
O13 O 0.7488(7) 0.1885(7) 0.6515(8) 0.054(2) Uani 1 1 d . . . . .
O7 O 0.4748(7) 0.4087(7) 0.2336(7) 0.048(2) Uani 1 1 d . . . . .
O15 O 0.3590(7) 0.7153(6) 0.3117(7) 0.049(2) Uani 1 1 d . . . . .
O2 O 0.6505(8) 0.4567(7) 0.2805(8) 0.058(2) Uani 1 1 d . . . . .
C1 C 0.9757(11) 0.4384(11) 0.5884(11) 0.061(3) Uani 1 1 d . . . . .
H1 H 0.971193 0.372671 0.630319 0.073 Uiso 1 1 calc R U . . .
O17 O 0.3519(6) 0.4504(7) 0.5290(7) 0.049(2) Uani 1 1 d . . . . .
C6 C 0.4058(11) 0.1574(10) 0.3716(10) 0.053(3) Uani 1 1 d . . . . .
H6 H 0.407554 0.226749 0.346815 0.064 Uiso 1 1 calc R U . . .
C8 C 0.4933(9) -0.0518(9) 0.7547(10) 0.048(3) Uani 1 1 d . . . . .
H8 H 0.516867 -0.018004 0.789048 0.057 Uiso 1 1 calc R U . . .
O9 O 0.5356(6) 0.2942(6) 0.6321(7) 0.0441(19) Uani 1 1 d . . . . .
O19 O 0.2571(7) 0.6105(7) 0.3546(8) 0.057(2) Uani 1 1 d . . . . .
N1 N 0.4284(9) 0.1037(8) 0.4664(8) 0.051(2) Uani 1 1 d . . . . .
C10 C 0.9931(12) 0.6270(10) 0.4684(14) 0.076(5) Uani 1 1 d . . . . .
H10 H 0.999153 0.691959 0.426087 0.091 Uiso 1 1 calc R U . . .
C12 C 0.3807(12) 0.1217(10) 0.3081(9) 0.058(3) Uani 1 1 d . . . . .
H12 H 0.363887 0.164949 0.241295 0.070 Uiso 1 1 calc R U . . .
O5 O 0.4000(7) 0.1796(6) 0.7199(6) 0.0437(18) Uani 1 1 d . . . . .
N4 N 0.4764(8) -0.0028(7) 0.6587(8) 0.045(2) Uani 1 1 d . . . . .
O21 O 0.3113(8) 0.4813(7) 0.2656(7) 0.052(2) Uani 1 1 d . . . . .
O11 O 0.3586(7) 0.5523(6) 0.6428(7) 0.0467(19) Uani 1 1 d . . . . .
C16 C 0.8982(11) 0.6025(10) 0.4616(12) 0.062(4) Uani 1 1 d . . . . .
H16 H 0.839739 0.650955 0.414363 0.074 Uiso 1 1 calc R U . . .
O23 O 0.7815(6) 0.3981(6) 0.5780(7) 0.0450(18) Uani 1 1 d . . . . .
C18 C 0.3294(8) 0.4693(7) 0.1151(5) 0.053(3) Uani 1 1 d G . . . .
C4 C 0.3851(7) 0.4130(7) 0.0646(7) 0.062(4) Uani 1 1 d G . . . .
H4 H 0.454961 0.365183 0.090350 0.075 Uiso 1 1 calc R U . . .
C105 C 0.3386(8) 0.4267(8) -0.0237(7) 0.071(4) Uani 1 1 d G . . . .
H105 H 0.376634 0.388238 -0.058275 0.085 Uiso 1 1 calc R U . . .
C28 C 0.2364(8) 0.4966(9) -0.0614(6) 0.068(4) Uani 1 1 d G . . . .
H28 H 0.204593 0.506007 -0.121786 0.081 Uiso 1 1 calc R U . . .
C112 C 0.1807(7) 0.5529(8) -0.0109(7) 0.076(5) Uani 1 1 d G . . . .
H112 H 0.110879 0.600721 -0.036673 0.092 Uiso 1 1 calc R U . . .
C43 C 0.2273(8) 0.5392(8) 0.0774(7) 0.071(4) Uani 1 1 d G . . . .
H43 H 0.189205 0.577668 0.111952 0.085 Uiso 1 1 calc R U . . .
C22 C 0.6744(10) 0.1572(10) 0.4225(11) 0.050(3) Uani 1 1 d . . . . .
N6 N 0.5529(9) 0.7911(8) 0.3397(8) 0.050(2) Uani 1 1 d . U . . .
C26 C 0.2423(7) 0.7228(5) 0.6006(6) 0.048(3) Uani 1 1 d G . . . .
C34 C 0.2142(8) 0.8279(6) 0.5417(6) 0.076(4) Uani 1 1 d G . . . .
H34 H 0.246282 0.850627 0.483988 0.091 Uiso 1 1 calc R U . . .
C73 C 0.1393(8) 0.8996(4) 0.5672(8) 0.083(5) Uani 1 1 d G . . . .
H73 H 0.120140 0.971406 0.526930 0.099 Uiso 1 1 calc R U . . .
C113 C 0.0924(7) 0.8663(6) 0.6516(8) 0.073(4) Uani 1 1 d G . . . .
H113 H 0.041227 0.915348 0.669040 0.088 Uiso 1 1 calc R U . . .
C90 C 0.1205(9) 0.7613(7) 0.7105(7) 0.085(5) Uani 1 1 d G . . . .
H90 H 0.088455 0.738510 0.768209 0.102 Uiso 1 1 calc R U . . .
C76 C 0.1954(8) 0.6895(5) 0.6850(6) 0.059(3) Uani 1 1 d G . . . .
H76 H 0.214597 0.617728 0.725268 0.071 Uiso 1 1 calc R U . . .
C30 C 0.7290(9) 0.1034(9) 0.6974(10) 0.043(3) Uani 1 1 d D . . . .
C32 C 0.3502(15) 0.2455(12) 0.7508(13) 0.068(3) Uani 1 1 d D U . . .
C36 C 0.6258(12) 0.3519(10) 0.7881(11) 0.054(3) Uani 1 1 d . . . . .
C38 C 0.7753(8) 0.2672(9) 0.9234(8) 0.080(5) Uani 1 1 d G . . . .
H38 H 0.813976 0.228246 0.889505 0.096 Uiso 1 1 calc R U . . .
C108 C 0.6738(8) 0.3378(7) 0.8842(6) 0.057(3) Uani 1 1 d G . . . .
C99 C 0.6172(7) 0.3948(8) 0.9338(8) 0.069(4) Uani 1 1 d G . . . .
H99 H 0.547795 0.443067 0.907030 0.083 Uiso 1 1 calc R U . . .
C14 C 0.6622(11) 0.3810(10) 1.0227(8) 0.093(6) Uani 1 1 d G . . . .
H14 H 0.623498 0.419953 1.056660 0.112 Uiso 1 1 calc R U . . .
C33 C 0.7637(11) 0.3104(11) 1.0620(7) 0.093(6) Uani 1 1 d G . . . .
H33 H 0.794440 0.300987 1.122714 0.112 Uiso 1 1 calc R U . . .
C86 C 0.8203(8) 0.2534(10) 1.0123(9) 0.106(7) Uani 1 1 d G . . . .
H86 H 0.889681 0.205132 1.039138 0.128 Uiso 1 1 calc R U . . .
C40 C 0.2181(10) 0.3084(9) 0.4813(10) 0.046(3) Uani 1 1 d . . . . .
C42 C 0.6583(8) 0.5477(9) 0.2537(9) 0.041(2) Uani 1 1 d . . . . .
O3 O 0.3776(7) 0.6756(7) 0.5067(7) 0.057(2) Uani 1 1 d . . . . .
C44 C 0.3749(11) 0.4518(9) 0.2112(9) 0.042(3) Uani 1 1 d . . . . .
N3 N 0.5959(10) 0.6872(9) 0.5304(9) 0.056(3) Uani 1 1 d . U . . .
C56 C 0.7722(6) 0.0814(6) 0.4083(7) 0.054(3) Uani 1 1 d G . . . .
C81 C 0.8198(7) -0.0153(6) 0.4821(6) 0.062(3) Uani 1 1 d G . . . .
H81 H 0.791496 -0.033528 0.542226 0.075 Uiso 1 1 calc R U . . .
C9 C 0.9089(7) -0.0853(5) 0.4681(7) 0.076(4) Uani 1 1 d G . . . .
H9 H 0.941398 -0.151405 0.518562 0.091 Uiso 1 1 calc R U . . .
C15 C 0.9503(7) -0.0586(7) 0.3801(9) 0.091(6) Uani 1 1 d G . . . .
H15 H 1.011138 -0.106499 0.370541 0.110 Uiso 1 1 calc R U . . .
C106 C 0.9027(9) 0.0381(9) 0.3063(7) 0.085(5) Uani 1 1 d G . . . .
H106 H 0.930974 0.056283 0.246182 0.102 Uiso 1 1 calc R U . . .
C60 C 0.8136(8) 0.1081(6) 0.3203(7) 0.075(5) Uani 1 1 d G . . . .
H60 H 0.781072 0.174161 0.269844 0.090 Uiso 1 1 calc R U . . .
C58 C 0.4219(11) 0.0069(9) 0.5012(9) 0.055(3) Uani 1 1 d . . . . .
C62 C 0.4802(10) -0.1458(8) 0.8085(9) 0.051(2) Uani 1 1 d . . . . .
C68 C 0.7893(10) 0.4814(10) 0.5187(10) 0.043(3) Uani 1 1 d . . . . .
C70 C 0.2730(11) 0.6962(10) 0.3062(10) 0.048(3) Uani 1 1 d D . . . .
C74 C 0.582(4) 1.110(3) -0.074(2) 0.085(9) Uani 0.42(3) 1 d D U P A 1
H74A H 0.511956 1.163876 -0.102240 0.128 Uiso 0.42(3) 1 calc R U P A 1
H74B H 0.588968 1.054563 -0.096491 0.128 Uiso 0.42(3) 1 calc R U P A 1
H74C H 0.639538 1.140864 -0.095179 0.128 Uiso 0.42(3) 1 calc R U P A 1
C78 C 0.8898(9) 0.5079(9) 0.5237(10) 0.048(3) Uani 1 1 d . . . . .
C82 C 0.8192(11) 0.0164(9) 0.7684(14) 0.053(3) Uani 0.71(3) 1 d DG U P B 1
C72 C 0.8147(12) -0.0842(10) 0.7988(15) 0.066(4) Uani 0.71(3) 1 d DG U P B 1
H72 H 0.755087 -0.096631 0.775568 0.079 Uiso 0.71(3) 1 calc R U P B 1
C98 C 0.8974(13) -0.1666(9) 0.8631(14) 0.075(5) Uani 0.71(3) 1 d DG U P B 1
H98 H 0.894335 -0.235335 0.883819 0.090 Uiso 0.71(3) 1 calc R U P B 1
C96 C 0.9846(12) -0.1484(13) 0.8970(12) 0.074(5) Uani 0.71(3) 1 d DG U P B 1
H96 H 1.041146 -0.204706 0.940973 0.089 Uiso 0.71(3) 1 calc R U P B 1
C50 C 0.9891(10) -0.0478(15) 0.8667(13) 0.073(4) Uani 0.71(3) 1 d DG U P B 1
H50 H 1.048709 -0.035373 0.889877 0.088 Uiso 0.71(3) 1 calc R U P B 1
C92 C 0.9064(12) 0.0346(11) 0.8024(14) 0.067(4) Uani 0.71(3) 1 d DG U P B 1
H92 H 0.909462 0.103333 0.781626 0.080 Uiso 0.71(3) 1 calc R U P B 1
C84 C 0.0883(15) 0.7401(11) 0.2256(18) 0.057(4) Uani 0.490(19) 1 d DG U P C 1
H84 H 0.093944 0.668746 0.255508 0.068 Uiso 0.490(19) 1 calc R U P C 1
C20 C 0.1728(15) 0.7734(12) 0.242(2) 0.049(4) Uani 0.490(19) 1 d DG U P C 1
C64 C 0.1646(15) 0.8778(13) 0.1978(19) 0.056(4) Uani 0.490(19) 1 d DG U P C 1
H64 H 0.222315 0.900599 0.208676 0.067 Uiso 0.490(19) 1 calc R U P C 1
C66 C 0.0719(16) 0.9489(10) 0.1381(15) 0.060(4) Uani 0.490(19) 1 d DG U P C 1
H66 H 0.066314 1.020287 0.108142 0.072 Uiso 0.490(19) 1 calc R U P C 1
C51 C -0.0125(13) 0.9156(14) 0.1221(14) 0.064(5) Uani 0.490(19) 1 d DG U P C 1
H51 H -0.075873 0.964207 0.081290 0.076 Uiso 0.490(19) 1 calc R U P C 1
C101 C -0.0043(13) 0.8112(15) 0.1659(16) 0.064(5) Uani 0.490(19) 1 d DG U P C 1
H101 H -0.062060 0.788437 0.154972 0.077 Uiso 0.490(19) 1 calc R U P C 1
C88 C 1.0773(12) 0.5559(13) 0.5369(17) 0.090(7) Uani 1 1 d . . . . .
H88 H 1.140641 0.572727 0.543976 0.108 Uiso 1 1 calc R U . . .
C100 C 0.4435(10) -0.0509(8) 0.6091(8) 0.050(2) Uani 1 1 d . . . . .
C102 C 0.3802(12) 0.0194(10) 0.3430(10) 0.063(3) Uani 1 1 d . . . . .
H102 H 0.366099 -0.010072 0.300403 0.075 Uiso 1 1 calc R U . . .
C104 C 0.3312(11) 0.6462(9) 0.5820(9) 0.046(3) Uani 1 1 d . . . . .
O25 O 0.7114(7) 0.5480(7) 0.4542(7) 0.053(2) Uani 1 1 d . . . . .
C110 C 0.4012(14) -0.2382(10) 0.9560(11) 0.070(4) Uani 1 1 d . . . . .
C57 C 0.4285(12) -0.1478(9) 0.6573(9) 0.064(3) Uani 1 1 d . . . . .
H57 H 0.408038 -0.181289 0.621106 0.076 Uiso 1 1 calc R U . . .
C59 C 1.0694(11) 0.4619(11) 0.5944(14) 0.072(4) Uani 1 1 d . . . . .
H59 H 1.129087 0.411533 0.639170 0.086 Uiso 1 1 calc R U . . .
C61 C 0.2895(13) -0.1680(13) 0.9100(14) 0.083(5) Uani 1 1 d . . . . .
H61A H 0.287445 -0.141278 0.839694 0.125 Uiso 1 1 calc R U . . .
H61B H 0.270021 -0.109933 0.930114 0.125 Uiso 1 1 calc R U . . .
H61C H 0.238242 -0.207083 0.930268 0.125 Uiso 1 1 calc R U . . .
C31 C 0.6179(12) 0.8191(9) 0.3841(8) 0.053(2) Uani 1 1 d . U . . .
C2 C 0.5664(14) -0.3160(10) 0.9377(12) 0.072(4) Uani 1 1 d . . . . .
H2A H 0.601957 -0.355931 1.004669 0.087 Uiso 1 1 calc R U . . .
H2B H 0.616118 -0.325835 0.890217 0.087 Uiso 1 1 calc R U . . .
C65 C 0.667(3) 0.921(3) 0.2366(14) 0.067(4) Uani 0.42(3) 1 d D U P A 1
C67 C 0.4430(10) -0.1952(8) 0.7562(9) 0.053(3) Uani 1 1 d . . . . .
C69 C 0.274(2) 0.1207(15) 0.8721(18) 0.089(5) Uani 0.524(17) 1 d DG U P D 1
H69 H 0.308469 0.070922 0.846964 0.107 Uiso 0.524(17) 1 calc R U P D 1
C94 C 0.278(2) 0.2216(16) 0.8279(17) 0.082(4) Uani 0.524(17) 1 d DG U P D 1
C46 C 0.229(2) 0.2945(14) 0.8646(19) 0.088(5) Uani 0.524(17) 1 d DG U P D 1
H46 H 0.231180 0.363424 0.834410 0.105 Uiso 0.524(17) 1 calc R U P D 1
C93 C 0.175(2) 0.2664(16) 0.9457(18) 0.093(5) Uani 0.524(17) 1 d DG U P D 1
H93 H 0.141117 0.316216 0.970807 0.112 Uiso 0.524(17) 1 calc R U P D 1
C47 C 0.171(2) 0.1655(17) 0.9899(15) 0.097(5) Uani 0.524(17) 1 d DG U P D 1
H47 H 0.134728 0.146361 1.045285 0.117 Uiso 0.524(17) 1 calc R U P D 1
C53 C 0.221(2) 0.0927(14) 0.9531(17) 0.097(5) Uani 0.524(17) 1 d DG U P D 1
H53 H 0.218403 0.023713 0.983364 0.117 Uiso 0.524(17) 1 calc R U P D 1
C35 C 0.589(3) 1.066(2) 0.038(2) 0.074(4) Uani 0.42(3) 1 d D U P A 1
C71 C 0.544(5) 1.145(3) 0.073(3) 0.087(9) Uani 0.42(3) 1 d D U P A 1
H71A H 0.576553 1.122000 0.139037 0.131 Uiso 0.42(3) 1 calc R U P A 1
H71B H 0.466020 1.158153 0.072138 0.131 Uiso 0.42(3) 1 calc R U P A 1
H71C H 0.558637 1.208628 0.031591 0.131 Uiso 0.42(3) 1 calc R U P A 1
C37 C 0.6982(15) 0.7918(11) 0.5476(11) 0.080(3) Uani 1 1 d . U . . .
H37 H 0.730235 0.844975 0.519164 0.095 Uiso 1 1 calc R U . . .
C75 C 0.717(3) 1.005(3) 0.069(2) 0.077(4) Uani 0.42(3) 1 d D U P A 1
H75 H 0.766137 1.037602 0.026208 0.092 Uiso 0.42(3) 1 calc R U P A 1
C19 C 0.4010(11) -0.0390(9) 0.4429(9) 0.058(3) Uani 1 1 d . . . . .
H19 H 0.400634 -0.108810 0.469639 0.070 Uiso 1 1 calc R U . . .
C77 C 0.4524(17) -0.3274(10) 0.9198(12) 0.081(5) Uani 1 1 d . . . . .
H77 H 0.444937 -0.396080 0.962249 0.097 Uiso 1 1 calc R U . . .
C39 C 0.4066(19) -0.2756(14) 1.0655(12) 0.092(6) Uani 1 1 d . . . . .
H39A H 0.385900 -0.215601 1.082851 0.138 Uiso 1 1 calc R U . . .
H39B H 0.480144 -0.318770 1.094798 0.138 Uiso 1 1 calc R U . . .
H39C H 0.357288 -0.316271 1.088947 0.138 Uiso 1 1 calc R U . . .
C79 C 0.5371(11) 0.8354(10) 0.2447(9) 0.049(2) Uani 1 1 d D U . . .
H79 H 0.492759 0.814106 0.212339 0.059 Uiso 0.42(3) 1 calc R U P A 1
H79A H 0.487580 0.818790 0.212656 0.059 Uiso 0.58(3) 1 calc R U P A 2
C5 C 0.6694(12) 0.8912(10) 0.3321(9) 0.064(3) Uani 1 1 d D U . . .
H5A H 0.705709 0.918785 0.364638 0.077 Uiso 0.42(3) 1 calc R U P A 1
H5B H 0.722641 0.903065 0.364773 0.077 Uiso 0.58(3) 1 calc R U P A 2
C41 C 0.6153(15) 0.6327(12) 0.6266(11) 0.065(3) Uani 1 1 d . U . . .
H41 H 0.587108 0.576631 0.654671 0.078 Uiso 1 1 calc R U . . .
C83 C 0.4230(13) -0.2968(9) 0.8137(10) 0.066(3) Uani 1 1 d . . . . .
H83A H 0.466871 -0.351235 0.793709 0.080 Uiso 1 1 calc R U . . .
H83B H 0.346267 -0.289475 0.801250 0.080 Uiso 1 1 calc R U . . .
C85 C 0.737(3) 0.980(3) 0.1737(18) 0.075(4) Uani 0.42(3) 1 d D U P A 1
H85A H 0.725577 1.045162 0.182232 0.090 Uiso 0.42(3) 1 calc R U P A 1
H85B H 0.813578 0.937796 0.196454 0.090 Uiso 0.42(3) 1 calc R U P A 1
C87 C 0.582(4) 0.912(3) 0.1883(15) 0.064(4) Uani 0.42(3) 1 d D U P A 1
C11 C 0.7495(13) 0.6641(10) 0.1398(13) 0.073(4) Uani 0.622(13) 1 d G U P E 1
H11 H 0.710280 0.718360 0.157778 0.088 Uiso 0.622(13) 1 calc R U P E 1
C52 C 0.7367(14) 0.5665(12) 0.1829(12) 0.059(4) Uani 0.622(13) 1 d G U P E 1
C21 C 0.7941(15) 0.4871(9) 0.1565(14) 0.072(4) Uani 0.622(13) 1 d G U P E 1
H21 H 0.785373 0.420426 0.185998 0.086 Uiso 0.622(13) 1 calc R U P E 1
C63 C 0.8642(14) 0.5053(11) 0.0871(14) 0.084(5) Uani 0.622(13) 1 d G U P E 1
H63 H 0.903419 0.451044 0.069118 0.101 Uiso 0.622(13) 1 calc R U P E 1
C45 C 0.8770(14) 0.6029(12) 0.0440(13) 0.087(5) Uani 0.622(13) 1 d G U P E 1
H45 H 0.924898 0.615319 -0.003433 0.104 Uiso 0.622(13) 1 calc R U P E 1
C25 C 0.8196(14) 0.6823(9) 0.0704(14) 0.084(4) Uani 0.622(13) 1 d G U P E 1
H25 H 0.828329 0.748978 0.040896 0.101 Uiso 0.622(13) 1 calc R U P E 1
C91 C 0.7101(17) 0.7383(12) 0.6482(12) 0.088(4) Uani 1 1 d . U . . .
H91 H 0.742713 0.760340 0.688781 0.105 Uiso 1 1 calc R U . . .
C23 C 0.6380(12) 0.7657(10) 0.4888(9) 0.059(3) Uani 1 1 d . U . . .
C95 C 0.0296(6) 0.3597(6) 0.4055(6) 0.054(3) Uani 1 1 d G . . . .
H95 H 0.037302 0.422418 0.359810 0.065 Uiso 1 1 calc R U . . .
C24 C -0.0676(6) 0.3396(7) 0.4043(7) 0.072(4) Uani 1 1 d G . . . .
H24 H -0.126425 0.388634 0.357761 0.086 Uiso 1 1 calc R U . . .
C54 C -0.0789(5) 0.2478(8) 0.4713(9) 0.072(5) Uani 1 1 d G . . . .
H54 H -0.145371 0.234128 0.470420 0.087 Uiso 1 1 calc R U . . .
C27 C 0.0071(7) 0.1761(6) 0.5394(9) 0.088(6) Uani 1 1 d G . . . .
H27 H -0.000591 0.113405 0.585128 0.105 Uiso 1 1 calc R U . . .
C29 C 0.1044(6) 0.1962(6) 0.5406(7) 0.069(5) Uani 1 1 d G . . . .
H29 H 0.163136 0.147186 0.587179 0.083 Uiso 1 1 calc R U . . .
C48 C 0.1156(5) 0.2880(6) 0.4737(7) 0.045(3) Uani 1 1 d G . . . .
C3 C 0.6749(15) 0.6554(11) 0.6866(11) 0.075(3) Uani 1 1 d . U . . .
H3 H 0.690530 0.612979 0.753613 0.089 Uiso 1 1 calc R U . . .
C97 C 0.577(3) 0.952(2) 0.0799(17) 0.070(4) Uani 0.42(3) 1 d D U P A 1
H97 H 0.518702 0.942136 0.045552 0.084 Uiso 0.42(3) 1 calc R U P A 1
C49 C 0.5007(11) -0.2017(9) 0.9145(9) 0.059(3) Uani 1 1 d . . . . .
H49 H 0.529948 -0.167556 0.949449 0.071 Uiso 1 1 calc R U . . .
C107 C 0.791(2) 0.640(2) 0.230(2) 0.072(5) Uani 0.378(13) 1 d G U P E 2
H107 H 0.754105 0.675273 0.266783 0.086 Uiso 0.378(13) 1 calc R U P E 2
C109 C 0.7492(19) 0.574(2) 0.207(2) 0.068(5) Uani 0.378(13) 1 d G U P E 2
C111 C 0.804(2) 0.522(2) 0.153(2) 0.074(5) Uani 0.378(13) 1 d G U P E 2
H111 H 0.774901 0.476928 0.136812 0.088 Uiso 0.378(13) 1 calc R U P E 2
C55 C 0.901(2) 0.535(2) 0.121(2) 0.081(5) Uani 0.378(13) 1 d G U P E 2
H55 H 0.937803 0.499521 0.084290 0.097 Uiso 0.378(13) 1 calc R U P E 2
C103 C 0.9427(18) 0.601(2) 0.144(2) 0.084(5) Uani 0.378(13) 1 d G U P E 2
H103 H 1.008858 0.609990 0.123015 0.100 Uiso 0.378(13) 1 calc R U P E 2
C13 C 0.888(2) 0.653(2) 0.199(2) 0.080(5) Uani 0.378(13) 1 d G U P E 2
H13 H 0.917009 0.697866 0.214260 0.096 Uiso 0.378(13) 1 calc R U P E 2
C7 C 0.696(3) 0.914(3) 0.054(3) 0.077(5) Uani 0.42(3) 1 d D U P A 1
H7A H 0.740551 0.845396 0.100763 0.092 Uiso 0.42(3) 1 calc R U P A 1
H7B H 0.699454 0.919226 -0.013003 0.092 Uiso 0.42(3) 1 calc R U P A 1
C69A C 0.209(2) 0.1557(19) 0.8014(19) 0.093(5) Uani 0.476(17) 1 d DG U P D 2
H69A H 0.233768 0.121004 0.760161 0.112 Uiso 0.476(17) 1 calc R U P D 2
C94A C 0.261(2) 0.221(2) 0.813(2) 0.083(4) Uani 0.476(17) 1 d DG U P D 2
C46A C 0.225(2) 0.272(2) 0.873(2) 0.094(5) Uani 0.476(17) 1 d DG U P D 2
H46A H 0.261046 0.316757 0.880764 0.112 Uiso 0.476(17) 1 calc R U P D 2
C93A C 0.138(2) 0.257(2) 0.922(2) 0.100(5) Uani 0.476(17) 1 d DG U P D 2
H93A H 0.113081 0.292105 0.963446 0.119 Uiso 0.476(17) 1 calc R U P D 2
C47A C 0.0855(19) 0.192(2) 0.911(2) 0.102(6) Uani 0.476(17) 1 d DG U P D 2
H47A H 0.025459 0.181902 0.944487 0.122 Uiso 0.476(17) 1 calc R U P D 2
C53A C 0.121(2) 0.141(2) 0.851(2) 0.100(5) Uani 0.476(17) 1 d DG U P D 2
H53A H 0.085801 0.096351 0.842845 0.120 Uiso 0.476(17) 1 calc R U P D 2
C20A C 0.1870(19) 0.7888(15) 0.238(2) 0.047(4) Uani 0.510(19) 1 d D U P C 2
C64A C 0.195(2) 0.8878(15) 0.208(2) 0.055(4) Uani 0.510(19) 1 d D U P C 2
H64A H 0.254053 0.899102 0.232758 0.066 Uiso 0.510(19) 1 calc R U P C 2
C66A C 0.114(2) 0.9706(16) 0.141(2) 0.061(4) Uani 0.510(19) 1 d D U P C 2
H66A H 0.120040 1.038490 0.118068 0.073 Uiso 0.510(19) 1 calc R U P C 2
C84A C 0.0990(18) 0.7749(17) 0.203(2) 0.057(4) Uani 0.510(19) 1 d D U P C 2
H84A H 0.093332 0.706955 0.223826 0.068 Uiso 0.510(19) 1 calc R U P C 2
C114 C 0.0183(19) 0.8573(18) 0.137(2) 0.061(4) Uani 0.510(19) 1 d D U P C 2
H114 H -0.041528 0.846457 0.112568 0.073 Uiso 0.510(19) 1 calc R U P C 2
C51A C 0.026(2) 0.9541(18) 0.110(2) 0.062(4) Uani 0.510(19) 1 d D U P C 2
H51A H -0.030025 1.011723 0.066901 0.074 Uiso 0.510(19) 1 calc R U P C 2
C82A C 0.828(3) 0.030(2) 0.762(4) 0.061(5) Uani 0.29(3) 1 d DG U P B 2
C72A C 0.835(3) -0.073(2) 0.816(3) 0.066(5) Uani 0.29(3) 1 d DG U P B 2
H72A H 0.779710 -0.099217 0.805646 0.080 Uiso 0.29(3) 1 calc R U P B 2
C98A C 0.924(3) -0.138(2) 0.884(3) 0.071(5) Uani 0.29(3) 1 d DG U P B 2
H98A H 0.928417 -0.208711 0.920521 0.085 Uiso 0.29(3) 1 calc R U P B 2
C96A C 1.005(2) -0.101(3) 0.898(3) 0.074(6) Uani 0.29(3) 1 d DG U P B 2
H96A H 1.065157 -0.145030 0.945048 0.089 Uiso 0.29(3) 1 calc R U P B 2
C50A C 0.998(2) 0.002(3) 0.845(3) 0.070(6) Uani 0.29(3) 1 d DG U P B 2
H50A H 1.053190 0.028146 0.854702 0.085 Uiso 0.29(3) 1 calc R U P B 2
C92A C 0.909(3) 0.067(2) 0.777(4) 0.065(5) Uani 0.29(3) 1 d DG U P B 2
H92A H 0.904483 0.137642 0.739827 0.078 Uiso 0.29(3) 1 calc R U P B 2
C74A C 0.542(3) 1.108(2) -0.0725(16) 0.067(6) Uani 0.58(3) 1 d D U P A 2
H74D H 0.481603 1.091741 -0.093215 0.101 Uiso 0.58(3) 1 calc R U P A 2
H74E H 0.607449 1.077087 -0.095856 0.101 Uiso 0.58(3) 1 calc R U P A 2
H74F H 0.526643 1.183748 -0.099032 0.101 Uiso 0.58(3) 1 calc R U P A 2
C35A C 0.559(2) 1.0646(16) 0.0396(17) 0.074(4) Uani 0.58(3) 1 d D U P A 2
C71A C 0.483(3) 1.1291(16) 0.0768(19) 0.071(6) Uani 0.58(3) 1 d D U P A 2
H71D H 0.483424 1.200863 0.044197 0.107 Uiso 0.58(3) 1 calc R U P A 2
H71E H 0.503220 1.104789 0.146168 0.107 Uiso 0.58(3) 1 calc R U P A 2
H71F H 0.411045 1.125573 0.065491 0.107 Uiso 0.58(3) 1 calc R U P A 2
C75A C 0.685(3) 1.041(2) 0.0691(16) 0.074(4) Uani 0.58(3) 1 d D U P A 2
H75A H 0.719749 1.091064 0.025444 0.089 Uiso 0.58(3) 1 calc R U P A 2
C85A C 0.701(3) 1.019(2) 0.1746(16) 0.076(4) Uani 0.58(3) 1 d D U P A 2
H85C H 0.673763 1.084671 0.182987 0.091 Uiso 0.58(3) 1 calc R U P A 2
H85D H 0.778908 0.989105 0.197639 0.091 Uiso 0.58(3) 1 calc R U P A 2
C97A C 0.588(2) 0.9411(17) 0.0810(14) 0.070(3) Uani 0.58(3) 1 d D U P A 2
H97A H 0.548687 0.912200 0.047259 0.084 Uiso 0.58(3) 1 calc R U P A 2
C7A C 0.708(2) 0.939(2) 0.057(2) 0.074(4) Uani 0.58(3) 1 d D U P A 2
H7AA H 0.764353 0.880963 0.105752 0.089 Uiso 0.58(3) 1 calc R U P A 2
H7AB H 0.720475 0.944859 -0.008826 0.089 Uiso 0.58(3) 1 calc R U P A 2
C65A C 0.644(2) 0.944(2) 0.2361(13) 0.069(4) Uani 0.58(3) 1 d D U P A 2
C87A C 0.588(3) 0.905(3) 0.1884(13) 0.063(3) Uani 0.58(3) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Ti1 3.750(2) . ?
Eu1 Ti4 3.746(2) . ?
Eu1 Ti2 3.775(2) . ?
Eu1 Ti3 3.753(2) . ?
Eu1 O8 2.453(9) . ?
Eu1 O14 2.330(8) . ?
Eu1 O20 2.351(8) . ?
Eu1 O15 2.416(9) . ?
Eu1 N6 2.568(11) . ?
Eu1 O3 2.422(10) . ?
Eu1 N3 2.599(12) . ?
Eu1 O25 2.366(9) . ?
Eu2 Ti1 3.766(2) . ?
Eu2 Ti4 3.764(2) . ?
Eu2 Ti2 3.751(2) . ?
Eu2 Ti3 3.743(2) . ?
Eu2 O1 2.375(10) . ?
Eu2 O6 2.414(8) . ?
Eu2 O22 2.373(8) . ?
Eu2 O24 2.400(9) . ?
Eu2 O9 2.336(8) . ?
Eu2 N1 2.617(11) . ?
Eu2 O5 2.380(8) . ?
Eu2 N4 2.557(9) . ?
Ti1 Ti4 2.855(3) . ?
Ti1 O4 2.021(8) . ?
Ti1 O14 1.898(8) . ?
Ti1 O22 1.932(8) . ?
Ti1 O17 1.782(10) . ?
Ti1 O19 2.022(9) . ?
Ti1 O21 2.090(10) . ?
Ti4 O12 2.045(8) . ?
Ti4 O14 1.871(9) . ?
Ti4 O18 1.841(10) . ?
Ti4 O22 1.895(8) . ?
Ti4 O7 2.138(10) . ?
Ti4 O2 2.015(10) . ?
Ti2 Ti3 2.856(3) . ?
Ti2 O16 2.110(10) . ?
Ti2 O20 1.916(8) . ?
Ti2 O26 2.034(9) . ?
Ti2 O17 1.834(10) . ?
Ti2 O9 1.868(8) . ?
Ti2 O11 2.031(9) . ?
Ti3 O10 2.122(11) . ?
Ti3 O18 1.796(10) . ?
Ti3 O20 1.905(8) . ?
Ti3 O13 2.021(9) . ?
Ti3 O9 1.913(8) . ?
Ti3 O23 2.016(8) . ?
O1 C40 1.244(16) . ?
O4 C40 1.317(15) . ?
O6 C22 1.248(17) . ?
O8 C42 1.230(15) . ?
O10 C36 1.252(18) . ?
O12 C22 1.266(17) . ?
O16 C36 1.254(17) . ?
O24 C30 1.237(15) . ?
O26 C32 1.272(16) . ?
O13 C30 1.279(15) . ?
O7 C44 1.258(16) . ?
O15 C70 1.247(16) . ?
O2 C42 1.275(15) . ?
C1 H1 0.9500 . ?
C1 C78 1.358(19) . ?
C1 C59 1.380(19) . ?
C6 H6 0.9500 . ?
C6 N1 1.330(18) . ?
C6 C12 1.343(19) . ?
C8 H8 0.9500 . ?
C8 N4 1.337(17) . ?
C8 C62 1.369(16) . ?
O19 C70 1.269(16) . ?
N1 C58 1.344(15) . ?
C10 H10 0.9500 . ?
C10 C16 1.406(19) . ?
C10 C88 1.38(2) . ?
C12 H12 0.9500 . ?
C12 C102 1.392(18) . ?
O5 C32 1.249(18) . ?
N4 C100 1.357(14) . ?
O21 C44 1.271(16) . ?
O11 C104 1.274(15) . ?
C16 H16 0.9500 . ?
C16 C78 1.383(18) . ?
O23 C68 1.242(15) . ?
C18 C4 1.3900 . ?
C18 C43 1.3900 . ?
C18 C44 1.474(13) . ?
C4 H4 0.9500 . ?
C4 C105 1.3900 . ?
C105 H105 0.9500 . ?
C105 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C112 1.3900 . ?
C112 H112 0.9500 . ?
C112 C43 1.3900 . ?
C43 H43 0.9500 . ?
C22 C56 1.510(13) . ?
N6 C31 1.331(16) . ?
N6 C79 1.320(17) . ?
C26 C34 1.3900 . ?
C26 C76 1.3900 . ?
C26 C104 1.477(14) . ?
C34 H34 0.9500 . ?
C34 C73 1.3900 . ?
C73 H73 0.9500 . ?
C73 C113 1.3900 . ?
C113 H113 0.9500 . ?
C113 C90 1.3900 . ?
C90 H90 0.9500 . ?
C90 C76 1.3900 . ?
C76 H76 0.9500 . ?
C30 C82 1.505(14) . ?
C30 C82A 1.48(2) . ?
C32 C94 1.494(19) . ?
C32 C94A 1.53(2) . ?
C36 C108 1.504(18) . ?
C38 H38 0.9500 . ?
C38 C108 1.3900 . ?
C38 C86 1.3900 . ?
C108 C99 1.3900 . ?
C99 H99 0.9500 . ?
C99 C14 1.3900 . ?
C14 H14 0.9500 . ?
C14 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C86 1.3900 . ?
C86 H86 0.9500 . ?
C40 C48 1.473(14) . ?
C42 C52 1.483(15) . ?
C42 C109 1.45(2) . ?
O3 C104 1.272(16) . ?
N3 C41 1.348(19) . ?
N3 C23 1.357(18) . ?
C56 C81 1.3900 . ?
C56 C60 1.3900 . ?
C81 H81 0.9500 . ?
C81 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C106 1.3900 . ?
C106 H106 0.9500 . ?
C106 C60 1.3900 . ?
C60 H60 0.9500 . ?
C58 C100 1.506(16) . ?
C58 C19 1.370(17) . ?
C62 C67 1.431(16) . ?
C62 C49 1.478(17) . ?
C68 C78 1.488(16) . ?
C68 O25 1.285(17) . ?
C70 C20 1.505(17) . ?
C70 C20A 1.50(2) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C74 C35 1.56(3) . ?
C82 C72 1.3900 . ?
C82 C92 1.3900 . ?
C72 H72 0.9500 . ?
C72 C98 1.3900 . ?
C98 H98 0.9500 . ?
C98 C96 1.3900 . ?
C96 H96 0.9500 . ?
C96 C50 1.3900 . ?
C50 H50 0.9500 . ?
C50 C92 1.3900 . ?
C92 H92 0.9500 . ?
C84 H84 0.9500 . ?
C84 C20 1.3900 . ?
C84 C101 1.3900 . ?
C20 C64 1.3900 . ?
C64 H64 0.9500 . ?
C64 C66 1.3900 . ?
C66 H66 0.9500 . ?
C66 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C101 1.3900 . ?
C101 H101 0.9500 . ?
C88 H88 0.9500 . ?
C88 C59 1.36(2) . ?
C100 C57 1.402(15) . ?
C102 H102 0.9500 . ?
C102 C19 1.404(18) . ?
C110 C61 1.51(2) . ?
C110 C77 1.58(2) . ?
C110 C39 1.53(2) . ?
C110 C49 1.58(2) . ?
C57 H57 0.9500 . ?
C57 C67 1.374(17) . ?
C59 H59 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C31 C5 1.402(17) . ?
C31 C23 1.459(17) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C77 1.59(2) . ?
C2 C49 1.549(17) . ?
C65 C5 1.34(2) . ?
C65 C85 1.52(3) . ?
C65 C87 1.41(3) . ?
C67 C83 1.511(15) . ?
C69 H69 0.9500 . ?
C69 C94 1.3900 . ?
C69 C53 1.3900 . ?
C94 C46 1.3900 . ?
C46 H46 0.9500 . ?
C46 C93 1.3900 . ?
C93 H93 0.9500 . ?
C93 C47 1.3900 . ?
C47 H47 0.9500 . ?
C47 C53 1.3900 . ?
C53 H53 0.9500 . ?
C35 C71 1.44(3) . ?
C35 C75 1.63(4) . ?
C35 C97 1.59(3) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C37 H37 0.9500 . ?
C37 C91 1.40(2) . ?
C37 C23 1.418(17) . ?
C75 H75 1.0000 . ?
C75 C85 1.50(3) . ?
C75 C7 1.52(4) . ?
C19 H19 0.9500 . ?
C77 H77 1.0000 . ?
C77 C83 1.51(2) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C79 H79 0.9500 . ?
C79 H79A 0.9500 . ?
C79 C87 1.40(2) . ?
C79 C87A 1.39(2) . ?
C5 H5A 0.9500 . ?
C5 H5B 0.9500 . ?
C5 C65A 1.35(2) . ?
C41 H41 0.9500 . ?
C41 C3 1.39(2) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C87 C97 1.51(2) . ?
C11 H11 0.9500 . ?
C11 C52 1.3900 . ?
C11 C25 1.3900 . ?
C52 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C45 1.3900 . ?
C45 H45 0.9500 . ?
C45 C25 1.3900 . ?
C25 H25 0.9500 . ?
C91 H91 0.9500 . ?
C91 C3 1.35(2) . ?
C95 H95 0.9500 . ?
C95 C24 1.3900 . ?
C95 C48 1.3900 . ?
C24 H24 0.9500 . ?
C24 C54 1.3900 . ?
C54 H54 0.9500 . ?
C54 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C29 1.3900 . ?
C29 H29 0.9500 . ?
C29 C48 1.3900 . ?
C3 H3 0.9500 . ?
C97 H97 1.0000 . ?
C97 C7 1.60(3) . ?
C49 H49 1.0000 . ?
C107 H107 0.9500 . ?
C107 C109 1.3900 . ?
C107 C13 1.3900 . ?
C109 C111 1.3900 . ?
C111 H111 0.9500 . ?
C111 C55 1.3900 . ?
C55 H55 0.9500 . ?
C55 C103 1.3900 . ?
C103 H103 0.9500 . ?
C103 C13 1.3900 . ?
C13 H13 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C69A H69A 0.9500 . ?
C69A C94A 1.3900 . ?
C69A C53A 1.3900 . ?
C94A C46A 1.3900 . ?
C46A H46A 0.9500 . ?
C46A C93A 1.3900 . ?
C93A H93A 0.9500 . ?
C93A C47A 1.3900 . ?
C47A H47A 0.9500 . ?
C47A C53A 1.3900 . ?
C53A H53A 0.9500 . ?
C20A C64A 1.384(19) . ?
C20A C84A 1.372(19) . ?
C64A H64A 0.9500 . ?
C64A C66A 1.390(19) . ?
C66A H66A 0.9500 . ?
C66A C51A 1.37(3) . ?
C84A H84A 0.9500 . ?
C84A C114 1.382(19) . ?
C114 H114 0.9500 . ?
C114 C51A 1.36(3) . ?
C51A H51A 0.9500 . ?
C82A C72A 1.3900 . ?
C82A C92A 1.3900 . ?
C72A H72A 0.9500 . ?
C72A C98A 1.3900 . ?
C98A H98A 0.9500 . ?
C98A C96A 1.3900 . ?
C96A H96A 0.9500 . ?
C96A C50A 1.3900 . ?
C50A H50A 0.9500 . ?
C50A C92A 1.3900 . ?
C92A H92A 0.9500 . ?
C74A H74D 0.9800 . ?
C74A H74E 0.9800 . ?
C74A H74F 0.9800 . ?
C74A C35A 1.56(3) . ?
C35A C71A 1.43(3) . ?
C35A C75A 1.62(3) . ?
C35A C97A 1.60(2) . ?
C71A H71D 0.9800 . ?
C71A H71E 0.9800 . ?
C71A H71F 0.9800 . ?
C75A H75A 1.0000 . ?
C75A C85A 1.51(3) . ?
C75A C7A 1.51(3) . ?
C85A H85C 0.9900 . ?
C85A H85D 0.9900 . ?
C85A C65A 1.52(2) . ?
C97A H97A 1.0000 . ?
C97A C7A 1.60(3) . ?
C97A C87A 1.50(2) . ?
C7A H7AA 0.9900 . ?
C7A H7AB 0.9900 . ?
C65A C87A 1.40(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ti1 Eu1 Ti2 54.31(6) . . ?
Ti1 Eu1 Ti3 72.95(5) . . ?
Ti4 Eu1 Ti1 44.77(5) . . ?
Ti4 Eu1 Ti2 73.13(5) . . ?
Ti4 Eu1 Ti3 54.70(6) . . ?
Ti3 Eu1 Ti2 44.59(5) . . ?
O8 Eu1 Ti1 95.3(2) . . ?
O8 Eu1 Ti4 63.6(2) . . ?
O8 Eu1 Ti2 136.3(2) . . ?
O8 Eu1 Ti3 101.2(2) . . ?
O8 Eu1 N6 72.6(3) . . ?
O8 Eu1 N3 119.2(4) . . ?
O14 Eu1 Ti1 24.6(2) . . ?
O14 Eu1 Ti4 23.9(2) . . ?
O14 Eu1 Ti2 70.6(2) . . ?
O14 Eu1 Ti3 70.5(2) . . ?
O14 Eu1 O8 72.2(3) . . ?
O14 Eu1 O20 80.4(3) . . ?
O14 Eu1 O15 72.5(3) . . ?
O14 Eu1 N6 136.0(3) . . ?
O14 Eu1 O3 105.2(3) . . ?
O14 Eu1 N3 161.5(3) . . ?
O14 Eu1 O25 106.1(3) . . ?
O20 Eu1 Ti1 72.14(19) . . ?
O20 Eu1 Ti4 72.57(19) . . ?
O20 Eu1 Ti2 24.84(19) . . ?
O20 Eu1 Ti3 25.1(2) . . ?
O20 Eu1 O8 126.2(3) . . ?
O20 Eu1 O15 130.7(3) . . ?
O20 Eu1 N6 142.8(3) . . ?
O20 Eu1 O3 78.7(3) . . ?
O20 Eu1 N3 81.1(3) . . ?
O20 Eu1 O25 75.7(3) . . ?
O15 Eu1 Ti1 66.0(2) . . ?
O15 Eu1 Ti4 94.0(2) . . ?
O15 Eu1 Ti2 106.0(2) . . ?
O15 Eu1 Ti3 139.0(2) . . ?
O15 Eu1 O8 83.4(3) . . ?
O15 Eu1 N6 78.2(3) . . ?
O15 Eu1 O3 70.1(3) . . ?
O15 Eu1 N3 121.3(3) . . ?
N6 Eu1 Ti1 143.5(3) . . ?
N6 Eu1 Ti4 136.1(3) . . ?
N6 Eu1 Ti2 150.7(3) . . ?
N6 Eu1 Ti3 142.3(3) . . ?
N6 Eu1 N3 62.2(4) . . ?
O3 Eu1 Ti1 80.8(2) . . ?
O3 Eu1 Ti4 123.7(2) . . ?
O3 Eu1 Ti2 61.5(2) . . ?
O3 Eu1 Ti3 103.5(2) . . ?
O3 Eu1 O8 152.6(3) . . ?
O3 Eu1 N6 94.4(3) . . ?
O3 Eu1 N3 71.7(4) . . ?
N3 Eu1 Ti1 144.8(3) . . ?
N3 Eu1 Ti4 144.6(3) . . ?
N3 Eu1 Ti2 92.6(3) . . ?
N3 Eu1 Ti3 92.2(3) . . ?
O25 Eu1 Ti1 123.9(2) . . ?
O25 Eu1 Ti4 82.3(2) . . ?
O25 Eu1 Ti2 100.4(2) . . ?
O25 Eu1 Ti3 59.3(2) . . ?
O25 Eu1 O8 69.1(3) . . ?
O25 Eu1 O15 151.0(3) . . ?
O25 Eu1 N6 84.7(3) . . ?
O25 Eu1 O3 135.1(3) . . ?
O25 Eu1 N3 68.3(4) . . ?
Ti4 Eu2 Ti1 44.56(5) . . ?
Ti2 Eu2 Ti1 54.37(6) . . ?
Ti2 Eu2 Ti4 73.20(5) . . ?
Ti3 Eu2 Ti1 72.87(5) . . ?
Ti3 Eu2 Ti4 54.63(6) . . ?
Ti3 Eu2 Ti2 44.80(5) . . ?
O1 Eu2 Ti1 60.1(2) . . ?
O1 Eu2 Ti4 100.2(2) . . ?
O1 Eu2 Ti2 84.5(2) . . ?
O1 Eu2 Ti3 125.9(2) . . ?
O1 Eu2 O6 135.7(3) . . ?
O1 Eu2 O24 150.3(3) . . ?
O1 Eu2 N1 70.9(3) . . ?
O1 Eu2 O5 69.3(3) . . ?
O1 Eu2 N4 89.5(3) . . ?
O6 Eu2 Ti1 103.6(2) . . ?
O6 Eu2 Ti4 60.8(2) . . ?
O6 Eu2 Ti2 121.1(2) . . ?
O6 Eu2 Ti3 77.9(2) . . ?
O6 Eu2 N1 69.7(3) . . ?
O6 Eu2 N4 90.1(3) . . ?
O22 Eu2 Ti1 25.9(2) . . ?
O22 Eu2 Ti4 24.87(19) . . ?
O22 Eu2 Ti2 73.43(19) . . ?
O22 Eu2 Ti3 73.00(19) . . ?
O22 Eu2 O1 75.4(3) . . ?
O22 Eu2 O6 78.5(3) . . ?
O22 Eu2 O24 131.8(3) . . ?
O22 Eu2 N1 79.8(3) . . ?
O22 Eu2 O5 126.2(3) . . ?
O22 Eu2 N4 142.6(3) . . ?
O24 Eu2 Ti1 138.3(2) . . ?
O24 Eu2 Ti4 107.1(2) . . ?
O24 Eu2 Ti2 92.4(2) . . ?
O24 Eu2 Ti3 65.5(2) . . ?
O24 Eu2 O6 70.1(3) . . ?
O24 Eu2 N1 119.5(3) . . ?
O24 Eu2 N4 74.1(3) . . ?
O9 Eu2 Ti1 70.7(2) . . ?
O9 Eu2 Ti4 71.7(2) . . ?
O9 Eu2 Ti2 23.8(2) . . ?
O9 Eu2 Ti3 25.3(2) . . ?
O9 Eu2 O1 108.2(3) . . ?
O9 Eu2 O6 102.9(3) . . ?
O9 Eu2 O22 82.1(3) . . ?
O9 Eu2 O24 70.8(3) . . ?
O9 Eu2 N1 161.5(3) . . ?
O9 Eu2 O5 72.3(3) . . ?
O9 Eu2 N4 135.3(3) . . ?
N1 Eu2 Ti1 94.1(2) . . ?
N1 Eu2 Ti4 90.1(2) . . ?
N1 Eu2 Ti2 147.5(3) . . ?
N1 Eu2 Ti3 141.1(2) . . ?
O5 Eu2 Ti1 100.29(19) . . ?
O5 Eu2 Ti4 136.58(19) . . ?
O5 Eu2 Ti2 64.08(19) . . ?
O5 Eu2 Ti3 96.4(2) . . ?
O5 Eu2 O6 152.3(3) . . ?
O5 Eu2 O24 82.8(3) . . ?
O5 Eu2 N1 122.3(3) . . ?
O5 Eu2 N4 76.7(3) . . ?
N4 Eu2 Ti1 147.4(2) . . ?
N4 Eu2 Ti4 146.6(2) . . ?
N4 Eu2 Ti2 140.0(2) . . ?
N4 Eu2 Ti3 139.5(2) . . ?
N4 Eu2 N1 62.8(3) . . ?
Eu1 Ti1 Eu2 106.88(6) . . ?
Ti4 Ti1 Eu1 67.55(7) . . ?
Ti4 Ti1 Eu2 67.67(7) . . ?
O4 Ti1 Eu1 163.0(3) . . ?
O4 Ti1 Eu2 79.6(2) . . ?
O4 Ti1 Ti4 128.9(3) . . ?
O4 Ti1 O21 79.5(4) . . ?
O14 Ti1 Eu1 30.7(3) . . ?
O14 Ti1 Eu2 99.4(3) . . ?
O14 Ti1 Ti4 40.4(3) . . ?
O14 Ti1 O4 165.7(4) . . ?
O14 Ti1 O22 80.5(3) . . ?
O14 Ti1 O19 87.4(4) . . ?
O14 Ti1 O21 88.1(4) . . ?
O22 Ti1 Eu1 102.0(2) . . ?
O22 Ti1 Eu2 32.4(3) . . ?
O22 Ti1 Ti4 41.3(2) . . ?
O22 Ti1 O4 91.8(3) . . ?
O22 Ti1 O19 164.2(4) . . ?
O22 Ti1 O21 88.6(4) . . ?
O17 Ti1 Eu1 73.5(3) . . ?
O17 Ti1 Eu2 70.3(3) . . ?
O17 Ti1 Ti4 108.8(3) . . ?
O17 Ti1 O4 94.7(4) . . ?
O17 Ti1 O14 98.4(4) . . ?
O17 Ti1 O22 99.0(4) . . ?
O17 Ti1 O19 92.8(5) . . ?
O17 Ti1 O21 170.7(4) . . ?
O19 Ti1 Eu1 71.2(3) . . ?
O19 Ti1 Eu2 162.5(3) . . ?
O19 Ti1 Ti4 124.5(3) . . ?
O19 Ti1 O4 97.8(4) . . ?
O19 Ti1 O21 80.9(4) . . ?
O21 Ti1 Eu1 110.4(3) . . ?
O21 Ti1 Eu2 115.3(3) . . ?
O21 Ti1 Ti4 80.4(3) . . ?
Eu1 Ti4 Eu2 107.00(6) . . ?
Ti1 Ti4 Eu1 67.68(7) . . ?
Ti1 Ti4 Eu2 67.76(7) . . ?
O12 Ti4 Eu1 156.3(3) . . ?
O12 Ti4 Eu2 78.6(2) . . ?
O12 Ti4 Ti1 133.6(3) . . ?
O12 Ti4 O7 81.7(4) . . ?
O14 Ti4 Eu1 30.3(3) . . ?
O14 Ti4 Eu2 100.0(3) . . ?
O14 Ti4 Ti1 41.1(3) . . ?
O14 Ti4 O12 173.3(4) . . ?
O14 Ti4 O22 82.2(3) . . ?
O14 Ti4 O7 92.9(4) . . ?
O14 Ti4 O2 92.1(4) . . ?
O18 Ti4 Eu1 71.3(3) . . ?
O18 Ti4 Eu2 71.7(3) . . ?
O18 Ti4 Ti1 108.1(3) . . ?
O18 Ti4 O12 89.6(4) . . ?
O18 Ti4 O14 96.2(4) . . ?
O18 Ti4 O22 99.6(4) . . ?
O18 Ti4 O7 169.2(4) . . ?
O18 Ti4 O2 90.4(4) . . ?
O22 Ti4 Eu1 102.9(2) . . ?
O22 Ti4 Eu2 31.8(2) . . ?
O22 Ti4 Ti1 42.3(2) . . ?
O22 Ti4 O12 93.6(4) . . ?
O22 Ti4 O7 87.3(4) . . ?
O22 Ti4 O2 168.9(4) . . ?
O7 Ti4 Eu1 115.5(3) . . ?
O7 Ti4 Eu2 112.3(3) . . ?
O7 Ti4 Ti1 82.6(3) . . ?
O2 Ti4 Eu1 75.7(3) . . ?
O2 Ti4 Eu2 159.3(3) . . ?
O2 Ti4 Ti1 129.8(3) . . ?
O2 Ti4 O12 91.2(4) . . ?
O2 Ti4 O7 83.5(4) . . ?
Eu2 Ti2 Eu1 106.66(6) . . ?
Ti3 Ti2 Eu1 67.29(7) . . ?
Ti3 Ti2 Eu2 67.45(7) . . ?
O16 Ti2 Eu1 111.3(2) . . ?
O16 Ti2 Eu2 116.5(2) . . ?
O16 Ti2 Ti3 82.8(3) . . ?
O20 Ti2 Eu1 31.0(2) . . ?
O20 Ti2 Eu2 101.4(2) . . ?
O20 Ti2 Ti3 41.5(2) . . ?
O20 Ti2 O16 87.9(4) . . ?
O20 Ti2 O26 167.4(4) . . ?
O20 Ti2 O11 94.7(3) . . ?
O26 Ti2 Eu1 161.6(3) . . ?
O26 Ti2 Eu2 75.4(3) . . ?
O26 Ti2 Ti3 128.2(3) . . ?
O26 Ti2 O16 82.8(4) . . ?
O17 Ti2 Eu1 72.5(3) . . ?
O17 Ti2 Eu2 70.5(3) . . ?
O17 Ti2 Ti3 107.8(3) . . ?
O17 Ti2 O16 169.3(4) . . ?
O17 Ti2 O20 98.9(4) . . ?
O17 Ti2 O26 91.6(4) . . ?
O17 Ti2 O9 96.1(4) . . ?
O17 Ti2 O11 88.6(4) . . ?
O9 Ti2 Eu1 100.5(3) . . ?
O9 Ti2 Eu2 30.3(3) . . ?
O9 Ti2 Ti3 41.5(2) . . ?
O9 Ti2 O16 93.1(4) . . ?
O9 Ti2 O20 81.8(3) . . ?
O9 Ti2 O26 90.1(4) . . ?
O9 Ti2 O11 174.6(4) . . ?
O11 Ti2 Eu1 78.1(3) . . ?
O11 Ti2 Eu2 155.2(3) . . ?
O11 Ti2 Ti3 134.1(3) . . ?
O11 Ti2 O16 82.6(4) . . ?
O11 Ti2 O26 92.6(4) . . ?
Eu2 Ti3 Eu1 107.29(6) . . ?
Ti2 Ti3 Eu1 68.12(7) . . ?
Ti2 Ti3 Eu2 67.75(7) . . ?
O10 Ti3 Eu1 113.8(2) . . ?
O10 Ti3 Eu2 111.9(2) . . ?
O10 Ti3 Ti2 80.2(2) . . ?
O18 Ti3 Eu1 71.3(3) . . ?
O18 Ti3 Eu2 72.5(3) . . ?
O18 Ti3 Ti2 109.1(3) . . ?
O18 Ti3 O10 170.7(4) . . ?
O18 Ti3 O20 98.6(4) . . ?
O18 Ti3 O13 93.4(4) . . ?
O18 Ti3 O9 98.6(4) . . ?
O18 Ti3 O23 93.7(4) . . ?
O20 Ti3 Eu1 31.5(3) . . ?
O20 Ti3 Eu2 101.9(2) . . ?
O20 Ti3 Ti2 41.8(2) . . ?
O20 Ti3 O10 88.6(4) . . ?
O20 Ti3 O13 164.5(4) . . ?
O20 Ti3 O9 80.9(3) . . ?
O20 Ti3 O23 92.6(3) . . ?
O13 Ti3 Eu1 163.5(3) . . ?
O13 Ti3 Eu2 72.4(3) . . ?
O13 Ti3 Ti2 124.5(3) . . ?
O13 Ti3 O10 80.6(4) . . ?
O9 Ti3 Eu1 100.3(3) . . ?
O9 Ti3 Eu2 31.5(3) . . ?
O9 Ti3 Ti2 40.4(2) . . ?
O9 Ti3 O10 88.2(4) . . ?
O9 Ti3 O13 87.7(4) . . ?
O9 Ti3 O23 166.8(4) . . ?
O23 Ti3 Eu1 79.1(3) . . ?
O23 Ti3 Eu2 161.2(3) . . ?
O23 Ti3 Ti2 130.2(3) . . ?
O23 Ti3 O10 80.1(4) . . ?
O23 Ti3 O13 96.3(4) . . ?
C40 O1 Eu2 143.7(9) . . ?
C40 O4 Ti1 128.6(8) . . ?
C22 O6 Eu2 140.7(8) . . ?
C42 O8 Eu1 131.6(8) . . ?
C36 O10 Ti3 126.6(9) . . ?
C22 O12 Ti4 125.8(8) . . ?
Ti1 O14 Eu1 124.7(4) . . ?
Ti4 O14 Eu1 125.8(4) . . ?
Ti4 O14 Ti1 98.5(4) . . ?
C36 O16 Ti2 123.8(9) . . ?
Ti3 O18 Ti4 142.6(5) . . ?
Ti2 O20 Eu1 124.1(4) . . ?
Ti3 O20 Eu1 123.4(4) . . ?
Ti3 O20 Ti2 96.7(4) . . ?
Ti1 O22 Eu2 121.7(4) . . ?
Ti4 O22 Eu2 123.4(4) . . ?
Ti4 O22 Ti1 96.5(4) . . ?
C30 O24 Eu2 130.5(8) . . ?
C32 O26 Ti2 134.5(10) . . ?
C30 O13 Ti3 134.2(8) . . ?
C44 O7 Ti4 123.6(8) . . ?
C70 O15 Eu1 130.5(8) . . ?
C42 O2 Ti4 134.5(9) . . ?
C78 C1 H1 119.5 . . ?
C78 C1 C59 121.1(13) . . ?
C59 C1 H1 119.5 . . ?
Ti1 O17 Ti2 143.5(5) . . ?
N1 C6 H6 117.3 . . ?
N1 C6 C12 125.5(13) . . ?
C12 C6 H6 117.3 . . ?
N4 C8 H8 116.8 . . ?
N4 C8 C62 126.5(12) . . ?
C62 C8 H8 116.8 . . ?
Ti2 O9 Eu2 126.0(4) . . ?
Ti2 O9 Ti3 98.1(4) . . ?
Ti3 O9 Eu2 123.2(4) . . ?
C70 O19 Ti1 136.5(9) . . ?
C6 N1 Eu2 121.5(8) . . ?
C6 N1 C58 116.8(11) . . ?
C58 N1 Eu2 121.7(9) . . ?
C16 C10 H10 120.3 . . ?
C88 C10 H10 120.3 . . ?
C88 C10 C16 119.4(13) . . ?
C6 C12 H12 121.0 . . ?
C6 C12 C102 118.0(12) . . ?
C102 C12 H12 121.0 . . ?
C32 O5 Eu2 136.1(9) . . ?
C8 N4 Eu2 119.3(8) . . ?
C8 N4 C100 117.2(10) . . ?
C100 N4 Eu2 123.1(8) . . ?
C44 O21 Ti1 128.4(9) . . ?
C104 O11 Ti2 132.4(8) . . ?
C10 C16 H16 120.0 . . ?
C78 C16 C10 120.0(13) . . ?
C78 C16 H16 120.0 . . ?
C68 O23 Ti3 130.3(8) . . ?
C4 C18 C43 120.0 . . ?
C4 C18 C44 120.8(8) . . ?
C43 C18 C44 119.1(8) . . ?
C18 C4 H4 120.0 . . ?
C105 C4 C18 120.0 . . ?
C105 C4 H4 120.0 . . ?
C4 C105 H105 120.0 . . ?
C28 C105 C4 120.0 . . ?
C28 C105 H105 120.0 . . ?
C105 C28 H28 120.0 . . ?
C105 C28 C112 120.0 . . ?
C112 C28 H28 120.0 . . ?
C28 C112 H112 120.0 . . ?
C28 C112 C43 120.0 . . ?
C43 C112 H112 120.0 . . ?
C18 C43 H43 120.0 . . ?
C112 C43 C18 120.0 . . ?
C112 C43 H43 120.0 . . ?
O6 C22 O12 127.0(11) . . ?
O6 C22 C56 117.2(11) . . ?
O12 C22 C56 115.8(12) . . ?
C31 N6 Eu1 120.6(8) . . ?
C79 N6 Eu1 117.7(8) . . ?
C79 N6 C31 117.4(11) . . ?
C34 C26 C76 120.0 . . ?
C34 C26 C104 121.1(7) . . ?
C76 C26 C104 118.4(7) . . ?
C26 C34 H34 120.0 . . ?
C26 C34 C73 120.0 . . ?
C73 C34 H34 120.0 . . ?
C34 C73 H73 120.0 . . ?
C113 C73 C34 120.0 . . ?
C113 C73 H73 120.0 . . ?
C73 C113 H113 120.0 . . ?
C90 C113 C73 120.0 . . ?
C90 C113 H113 120.0 . . ?
C113 C90 H90 120.0 . . ?
C113 C90 C76 120.0 . . ?
C76 C90 H90 120.0 . . ?
C26 C76 H76 120.0 . . ?
C90 C76 C26 120.0 . . ?
C90 C76 H76 120.0 . . ?
O24 C30 O13 127.3(11) . . ?
O24 C30 C82 116.3(11) . . ?
O24 C30 C82A 125.6(17) . . ?
O13 C30 C82 116.4(11) . . ?
O13 C30 C82A 107.1(17) . . ?
O26 C32 C94 112.4(14) . . ?
O26 C32 C94A 116.4(15) . . ?
O5 C32 O26 125.7(14) . . ?
O5 C32 C94 121.9(13) . . ?
O5 C32 C94A 117.1(13) . . ?
O10 C36 O16 126.2(15) . . ?
O10 C36 C108 115.2(12) . . ?
O16 C36 C108 118.6(12) . . ?
C108 C38 H38 120.0 . . ?
C108 C38 C86 120.0 . . ?
C86 C38 H38 120.0 . . ?
C38 C108 C36 119.5(9) . . ?
C99 C108 C36 120.5(9) . . ?
C99 C108 C38 120.0 . . ?
C108 C99 H99 120.0 . . ?
C14 C99 C108 120.0 . . ?
C14 C99 H99 120.0 . . ?
C99 C14 H14 120.0 . . ?
C99 C14 C33 120.0 . . ?
C33 C14 H14 120.0 . . ?
C14 C33 H33 120.0 . . ?
C14 C33 C86 120.0 . . ?
C86 C33 H33 120.0 . . ?
C38 C86 H86 120.0 . . ?
C33 C86 C38 120.0 . . ?
C33 C86 H86 120.0 . . ?
O1 C40 O4 123.1(12) . . ?
O1 C40 C48 121.1(11) . . ?
O4 C40 C48 115.8(10) . . ?
O8 C42 O2 126.4(11) . . ?
O8 C42 C52 121.0(11) . . ?
O8 C42 C109 111.2(14) . . ?
O2 C42 C52 112.4(11) . . ?
O2 C42 C109 121.6(15) . . ?
C104 O3 Eu1 142.8(8) . . ?
O7 C44 O21 124.4(12) . . ?
O7 C44 C18 117.4(11) . . ?
O21 C44 C18 118.2(11) . . ?
C41 N3 Eu1 119.7(10) . . ?
C41 N3 C23 119.5(13) . . ?
C23 N3 Eu1 119.0(8) . . ?
C81 C56 C22 120.3(8) . . ?
C81 C56 C60 120.0 . . ?
C60 C56 C22 119.7(8) . . ?
C56 C81 H81 120.0 . . ?
C56 C81 C9 120.0 . . ?
C9 C81 H81 120.0 . . ?
C81 C9 H9 120.0 . . ?
C81 C9 C15 120.0 . . ?
C15 C9 H9 120.0 . . ?
C9 C15 H15 120.0 . . ?
C9 C15 C106 120.0 . . ?
C106 C15 H15 120.0 . . ?
C15 C106 H106 120.0 . . ?
C60 C106 C15 120.0 . . ?
C60 C106 H106 120.0 . . ?
C56 C60 H60 120.0 . . ?
C106 C60 C56 120.0 . . ?
C106 C60 H60 120.0 . . ?
N1 C58 C100 115.8(11) . . ?
N1 C58 C19 122.8(12) . . ?
C19 C58 C100 121.4(11) . . ?
C8 C62 C67 116.3(11) . . ?
C8 C62 C49 127.1(11) . . ?
C67 C62 C49 116.6(9) . . ?
O23 C68 C78 119.8(12) . . ?
O23 C68 O25 122.0(11) . . ?
O25 C68 C78 118.2(11) . . ?
O15 C70 O19 125.2(13) . . ?
O15 C70 C20 124.1(13) . . ?
O15 C70 C20A 111.9(14) . . ?
O19 C70 C20 110.6(13) . . ?
O19 C70 C20A 122.8(14) . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C35 C74 H74A 109.5 . . ?
C35 C74 H74B 109.5 . . ?
C35 C74 H74C 109.5 . . ?
C1 C78 C16 119.0(11) . . ?
C1 C78 C68 120.3(12) . . ?
C16 C78 C68 120.7(12) . . ?
C72 C82 C30 118.5(9) . . ?
C72 C82 C92 120.0 . . ?
C92 C82 C30 121.5(9) . . ?
C82 C72 H72 120.0 . . ?
C82 C72 C98 120.0 . . ?
C98 C72 H72 120.0 . . ?
C72 C98 H98 120.0 . . ?
C96 C98 C72 120.0 . . ?
C96 C98 H98 120.0 . . ?
C98 C96 H96 120.0 . . ?
C98 C96 C50 120.0 . . ?
C50 C96 H96 120.0 . . ?
C96 C50 H50 120.0 . . ?
C92 C50 C96 120.0 . . ?
C92 C50 H50 120.0 . . ?
C82 C92 H92 120.0 . . ?
C50 C92 C82 120.0 . . ?
C50 C92 H92 120.0 . . ?
C20 C84 H84 120.0 . . ?
C20 C84 C101 120.0 . . ?
C101 C84 H84 120.0 . . ?
C84 C20 C70 119.9(12) . . ?
C84 C20 C64 120.0 . . ?
C64 C20 C70 120.1(12) . . ?
C20 C64 H64 120.0 . . ?
C66 C64 C20 120.0 . . ?
C66 C64 H64 120.0 . . ?
C64 C66 H66 120.0 . . ?
C64 C66 C51 120.0 . . ?
C51 C66 H66 120.0 . . ?
C66 C51 H51 120.0 . . ?
C66 C51 C101 120.0 . . ?
C101 C51 H51 120.0 . . ?
C84 C101 H101 120.0 . . ?
C51 C101 C84 120.0 . . ?
C51 C101 H101 120.0 . . ?
C10 C88 H88 120.1 . . ?
C59 C88 C10 119.8(13) . . ?
C59 C88 H88 120.1 . . ?
N4 C100 C58 116.3(10) . . ?
N4 C100 C57 120.9(10) . . ?
C57 C100 C58 122.8(10) . . ?
C12 C102 H102 120.9 . . ?
C12 C102 C19 118.1(11) . . ?
C19 C102 H102 120.9 . . ?
O11 C104 C26 118.1(11) . . ?
O3 C104 O11 122.4(12) . . ?
O3 C104 C26 119.5(10) . . ?
C68 O25 Eu1 143.2(8) . . ?
C61 C110 C77 116.3(14) . . ?
C61 C110 C39 109.8(16) . . ?
C61 C110 C49 118.6(11) . . ?
C77 C110 C49 82.8(11) . . ?
C39 C110 C77 114.1(12) . . ?
C39 C110 C49 113.1(13) . . ?
C100 C57 H57 119.5 . . ?
C67 C57 C100 121.0(10) . . ?
C67 C57 H57 119.5 . . ?
C1 C59 H59 119.7 . . ?
C88 C59 C1 120.7(15) . . ?
C88 C59 H59 119.7 . . ?
C110 C61 H61A 109.5 . . ?
C110 C61 H61B 109.5 . . ?
C110 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N6 C31 C5 121.5(11) . . ?
N6 C31 C23 116.4(11) . . ?
C5 C31 C23 122.0(11) . . ?
H2A C2 H2B 111.7 . . ?
C77 C2 H2A 114.7 . . ?
C77 C2 H2B 114.7 . . ?
C49 C2 H2A 114.7 . . ?
C49 C2 H2B 114.7 . . ?
C49 C2 C77 83.9(11) . . ?
C5 C65 C85 125.9(19) . . ?
C5 C65 C87 117(2) . . ?
C87 C65 C85 116.5(18) . . ?
C62 C67 C83 117.7(10) . . ?
C57 C67 C62 118.1(9) . . ?
C57 C67 C83 124.2(10) . . ?
C94 C69 H69 120.0 . . ?
C94 C69 C53 120.0 . . ?
C53 C69 H69 120.0 . . ?
C69 C94 C32 118.7(13) . . ?
C46 C94 C32 120.6(13) . . ?
C46 C94 C69 120.0 . . ?
C94 C46 H46 120.0 . . ?
C94 C46 C93 120.0 . . ?
C93 C46 H46 120.0 . . ?
C46 C93 H93 120.0 . . ?
C46 C93 C47 120.0 . . ?
C47 C93 H93 120.0 . . ?
C93 C47 H47 120.0 . . ?
C53 C47 C93 120.0 . . ?
C53 C47 H47 120.0 . . ?
C69 C53 H53 120.0 . . ?
C47 C53 C69 120.0 . . ?
C47 C53 H53 120.0 . . ?
C74 C35 C75 101(2) . . ?
C74 C35 C97 111(2) . . ?
C71 C35 C74 112(2) . . ?
C71 C35 C75 116(3) . . ?
C71 C35 C97 126(3) . . ?
C97 C35 C75 84.7(17) . . ?
C35 C71 H71A 109.5 . . ?
C35 C71 H71B 109.5 . . ?
C35 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C91 C37 H37 120.3 . . ?
C91 C37 C23 119.5(14) . . ?
C23 C37 H37 120.3 . . ?
C35 C75 H75 116.3 . . ?
C85 C75 C35 106(2) . . ?
C85 C75 H75 116.3 . . ?
C85 C75 C7 110(2) . . ?
C7 C75 C35 87.5(18) . . ?
C7 C75 H75 116.3 . . ?
C58 C19 C102 118.6(11) . . ?
C58 C19 H19 120.7 . . ?
C102 C19 H19 120.7 . . ?
C110 C77 H77 113.9 . . ?
C2 C77 C110 88.1(11) . . ?
C2 C77 H77 113.9 . . ?
C83 C77 C110 114.1(12) . . ?
C83 C77 C2 110.3(14) . . ?
C83 C77 H77 113.9 . . ?
C110 C39 H39A 109.5 . . ?
C110 C39 H39B 109.5 . . ?
C110 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N6 C79 H79 117.9 . . ?
N6 C79 H79A 117.8 . . ?
N6 C79 C87 124.2(14) . . ?
N6 C79 C87A 124.3(13) . . ?
C87 C79 H79 117.9 . . ?
C87A C79 H79A 117.8 . . ?
C31 C5 H5A 120.1 . . ?
C31 C5 H5B 119.9 . . ?
C65 C5 C31 119.8(14) . . ?
C65 C5 H5A 120.1 . . ?
C65A C5 C31 120.3(13) . . ?
C65A C5 H5B 119.9 . . ?
N3 C41 H41 118.7 . . ?
N3 C41 C3 122.6(15) . . ?
C3 C41 H41 118.7 . . ?
C67 C83 C77 109.4(10) . . ?
C67 C83 H83A 109.8 . . ?
C67 C83 H83B 109.8 . . ?
C77 C83 H83A 109.8 . . ?
C77 C83 H83B 109.8 . . ?
H83A C83 H83B 108.2 . . ?
C65 C85 H85A 108.6 . . ?
C65 C85 H85B 108.6 . . ?
C75 C85 C65 115(2) . . ?
C75 C85 H85A 108.6 . . ?
C75 C85 H85B 108.6 . . ?
H85A C85 H85B 107.6 . . ?
C65 C87 C97 115.9(19) . . ?
C79 C87 C65 115(2) . . ?
C79 C87 C97 124.5(18) . . ?
C52 C11 H11 120.0 . . ?
C52 C11 C25 120.0 . . ?
C25 C11 H11 120.0 . . ?
C11 C52 C42 120.4(10) . . ?
C21 C52 C42 119.6(10) . . ?
C21 C52 C11 120.0 . . ?
C52 C21 H21 120.0 . . ?
C63 C21 C52 120.0 . . ?
C63 C21 H21 120.0 . . ?
C21 C63 H63 120.0 . . ?
C21 C63 C45 120.0 . . ?
C45 C63 H63 120.0 . . ?
C63 C45 H45 120.0 . . ?
C25 C45 C63 120.0 . . ?
C25 C45 H45 120.0 . . ?
C11 C25 H25 120.0 . . ?
C45 C25 C11 120.0 . . ?
C45 C25 H25 120.0 . . ?
C37 C91 H91 120.3 . . ?
C3 C91 C37 119.3(13) . . ?
C3 C91 H91 120.3 . . ?
N3 C23 C31 117.0(11) . . ?
N3 C23 C37 119.5(12) . . ?
C37 C23 C31 123.6(12) . . ?
C24 C95 H95 120.0 . . ?
C24 C95 C48 120.0 . . ?
C48 C95 H95 120.0 . . ?
C95 C24 H24 120.0 . . ?
C95 C24 C54 120.0 . . ?
C54 C24 H24 120.0 . . ?
C24 C54 H54 120.0 . . ?
C27 C54 C24 120.0 . . ?
C27 C54 H54 120.0 . . ?
C54 C27 H27 120.0 . . ?
C54 C27 C29 120.0 . . ?
C29 C27 H27 120.0 . . ?
C27 C29 H29 120.0 . . ?
C48 C29 C27 120.0 . . ?
C48 C29 H29 120.0 . . ?
C95 C48 C40 121.9(7) . . ?
C29 C48 C40 118.0(7) . . ?
C29 C48 C95 120.0 . . ?
C41 C3 H3 120.4 . . ?
C91 C3 C41 119.1(15) . . ?
C91 C3 H3 120.4 . . ?
C35 C97 H97 116.4 . . ?
C35 C97 C7 86.0(18) . . ?
C87 C97 C35 110(2) . . ?
C87 C97 H97 116.4 . . ?
C87 C97 C7 108(2) . . ?
C7 C97 H97 116.4 . . ?
C62 C49 C110 110.6(10) . . ?
C62 C49 C2 107.8(11) . . ?
C62 C49 H49 115.4 . . ?
C110 C49 H49 115.4 . . ?
C2 C49 C110 89.4(11) . . ?
C2 C49 H49 115.4 . . ?
C109 C107 H107 120.0 . . ?
C109 C107 C13 120.0 . . ?
C13 C107 H107 120.0 . . ?
C107 C109 C42 118.6(18) . . ?
C111 C109 C42 120.5(17) . . ?
C111 C109 C107 120.0 . . ?
C109 C111 H111 120.0 . . ?
C109 C111 C55 120.0 . . ?
C55 C111 H111 120.0 . . ?
C111 C55 H55 120.0 . . ?
C111 C55 C103 120.0 . . ?
C103 C55 H55 120.0 . . ?
C55 C103 H103 120.0 . . ?
C13 C103 C55 120.0 . . ?
C13 C103 H103 120.0 . . ?
C107 C13 H13 120.0 . . ?
C103 C13 C107 120.0 . . ?
C103 C13 H13 120.0 . . ?
C75 C7 C97 87.9(19) . . ?
C75 C7 H7A 114.0 . . ?
C75 C7 H7B 114.0 . . ?
C97 C7 H7A 114.0 . . ?
C97 C7 H7B 114.0 . . ?
H7A C7 H7B 111.2 . . ?
C94A C69A H69A 120.0 . . ?
C94A C69A C53A 120.0 . . ?
C53A C69A H69A 120.0 . . ?
C69A C94A C32 119.6(15) . . ?
C69A C94A C46A 120.0 . . ?
C46A C94A C32 120.1(14) . . ?
C94A C46A H46A 120.0 . . ?
C93A C46A C94A 120.0 . . ?
C93A C46A H46A 120.0 . . ?
C46A C93A H93A 120.0 . . ?
C47A C93A C46A 120.0 . . ?
C47A C93A H93A 120.0 . . ?
C93A C47A H47A 120.0 . . ?
C93A C47A C53A 120.0 . . ?
C53A C47A H47A 120.0 . . ?
C69A C53A H53A 120.0 . . ?
C47A C53A C69A 120.0 . . ?
C47A C53A H53A 120.0 . . ?
C64A C20A C70 121.6(17) . . ?
C64A C20A C84A 119.3(15) . . ?
C84A C20A C70 119.1(17) . . ?
C20A C64A H64A 120.4 . . ?
C20A C64A C66A 119.2(18) . . ?
C66A C64A H64A 120.4 . . ?
C64A C66A H66A 120.0 . . ?
C51A C66A C64A 119.9(19) . . ?
C51A C66A H66A 120.0 . . ?
C20A C84A H84A 119.2 . . ?
C20A C84A C114 121.5(18) . . ?
C114 C84A H84A 119.2 . . ?
C84A C114 H114 120.8 . . ?
C51A C114 C84A 118.5(19) . . ?
C51A C114 H114 120.8 . . ?
C66A C51A C114 121.5(19) . . ?
C66A C51A H51A 119.2 . . ?
C114 C51A H51A 119.2 . . ?
C72A C82A C30 121(2) . . ?
C72A C82A C92A 120.0 . . ?
C92A C82A C30 119(2) . . ?
C82A C72A H72A 120.0 . . ?
C98A C72A C82A 120.0 . . ?
C98A C72A H72A 120.0 . . ?
C72A C98A H98A 120.0 . . ?
C72A C98A C96A 120.0 . . ?
C96A C98A H98A 120.0 . . ?
C98A C96A H96A 120.0 . . ?
C50A C96A C98A 120.0 . . ?
C50A C96A H96A 120.0 . . ?
C96A C50A H50A 120.0 . . ?
C96A C50A C92A 120.0 . . ?
C92A C50A H50A 120.0 . . ?
C82A C92A H92A 120.0 . . ?
C50A C92A C82A 120.0 . . ?
C50A C92A H92A 120.0 . . ?
H74D C74A H74E 109.5 . . ?
H74D C74A H74F 109.5 . . ?
H74E C74A H74F 109.5 . . ?
C35A C74A H74D 109.5 . . ?
C35A C74A H74E 109.5 . . ?
C35A C74A H74F 109.5 . . ?
C74A C35A C75A 106.1(19) . . ?
C74A C35A C97A 108.5(17) . . ?
C71A C35A C74A 112.2(19) . . ?
C71A C35A C75A 118(2) . . ?
C71A C35A C97A 124(2) . . ?
C97A C35A C75A 84.7(15) . . ?
C35A C71A H71D 109.5 . . ?
C35A C71A H71E 109.5 . . ?
C35A C71A H71F 109.5 . . ?
H71D C71A H71E 109.5 . . ?
H71D C71A H71F 109.5 . . ?
H71E C71A H71F 109.5 . . ?
C35A C75A H75A 116.0 . . ?
C85A C75A C35A 108(2) . . ?
C85A C75A H75A 116.0 . . ?
C7A C75A C35A 88.7(15) . . ?
C7A C75A H75A 116.0 . . ?
C7A C75A C85A 109(2) . . ?
C75A C85A H85C 109.0 . . ?
C75A C85A H85D 109.0 . . ?
C75A C85A C65A 113.0(17) . . ?
H85C C85A H85D 107.8 . . ?
C65A C85A H85C 109.0 . . ?
C65A C85A H85D 109.0 . . ?
C35A C97A H97A 117.4 . . ?
C35A C97A C7A 86.2(15) . . ?
C7A C97A H97A 117.4 . . ?
C87A C97A C35A 106.3(17) . . ?
C87A C97A H97A 117.4 . . ?
C87A C97A C7A 107.7(17) . . ?
C75A C7A C97A 88.1(17) . . ?
C75A C7A H7AA 114.0 . . ?
C75A C7A H7AB 114.0 . . ?
C97A C7A H7AA 114.0 . . ?
C97A C7A H7AB 114.0 . . ?
H7AA C7A H7AB 111.2 . . ?
C5 C65A C85A 122.9(17) . . ?
C5 C65A C87A 117.1(17) . . ?
C87A C65A C85A 117.0(16) . . ?
C79 C87A C97A 125.5(15) . . ?
C79 C87A C65A 117.0(16) . . ?
C65A C87A C97A 117.5(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 Ti1 O14 Ti4 145.3(8) . . . . ?
Eu1 Ti1 O17 Ti2 -53.4(8) . . . . ?
Eu1 Ti4 O14 Ti1 -144.8(8) . . . . ?
Eu1 Ti4 O18 Ti3 59.3(8) . . . . ?
Eu1 Ti4 O22 Eu2 -101.5(4) . . . . ?
Eu1 Ti4 O22 Ti1 33.6(3) . . . . ?
Eu1 Ti2 O17 Ti1 53.3(9) . . . . ?
Eu1 Ti2 O9 Eu2 -105.1(5) . . . . ?
Eu1 Ti2 O9 Ti3 36.8(4) . . . . ?
Eu1 Ti3 O18 Ti4 -59.1(8) . . . . ?
Eu1 O8 C42 O2 33.8(18) . . . . ?
Eu1 O8 C42 C52 -152.5(11) . . . . ?
Eu1 O8 C42 C109 -135.7(17) . . . . ?
Eu1 O15 C70 O19 -8(2) . . . . ?
Eu1 O15 C70 C20 171.2(17) . . . . ?
Eu1 O15 C70 C20A 169.8(17) . . . . ?
Eu1 N6 C31 C5 154.8(10) . . . . ?
Eu1 N6 C31 C23 -21.4(16) . . . . ?
Eu1 N6 C79 C87 -159(3) . . . . ?
Eu1 N6 C79 C87A -153(2) . . . . ?
Eu1 O3 C104 O11 -2(2) . . . . ?
Eu1 O3 C104 C26 178.1(9) . . . . ?
Eu1 N3 C41 C3 166.5(13) . . . . ?
Eu1 N3 C23 C31 12.9(17) . . . . ?
Eu1 N3 C23 C37 -167.1(12) . . . . ?
Eu2 Ti1 O14 Eu1 -107.3(4) . . . . ?
Eu2 Ti1 O14 Ti4 38.0(4) . . . . ?
Eu2 Ti1 O17 Ti2 61.9(8) . . . . ?
Eu2 Ti4 O14 Eu1 106.6(5) . . . . ?
Eu2 Ti4 O14 Ti1 -38.1(4) . . . . ?
Eu2 Ti4 O18 Ti3 -56.6(8) . . . . ?
Eu2 Ti4 O22 Ti1 135.1(6) . . . . ?
Eu2 Ti2 O17 Ti1 -62.2(8) . . . . ?
Eu2 Ti2 O9 Ti3 141.9(8) . . . . ?
Eu2 Ti3 O18 Ti4 56.7(8) . . . . ?
Eu2 O1 C40 O4 -29(2) . . . . ?
Eu2 O1 C40 C48 152.6(10) . . . . ?
Eu2 O6 C22 O12 3(2) . . . . ?
Eu2 O6 C22 C56 -176.6(7) . . . . ?
Eu2 O24 C30 O13 15(2) . . . . ?
Eu2 O24 C30 C82 -168.9(11) . . . . ?
Eu2 O24 C30 C82A -169(3) . . . . ?
Eu2 N1 C58 C100 2.8(16) . . . . ?
Eu2 N1 C58 C19 -174.9(10) . . . . ?
Eu2 O5 C32 O26 -22(3) . . . . ?
Eu2 O5 C32 C94 160.6(18) . . . . ?
Eu2 O5 C32 C94A 147.6(17) . . . . ?
Eu2 N4 C100 C58 6.2(15) . . . . ?
Eu2 N4 C100 C57 -172.4(10) . . . . ?
Ti1 Ti4 O14 Eu1 144.8(8) . . . . ?
Ti1 Ti4 O18 Ti3 1.5(9) . . . . ?
Ti1 Ti4 O22 Eu2 -135.1(6) . . . . ?
Ti1 O4 C40 O1 0.8(18) . . . . ?
Ti1 O4 C40 C48 178.9(7) . . . . ?
Ti1 O19 C70 O15 -33(2) . . . . ?
Ti1 O19 C70 C20 147.5(17) . . . . ?
Ti1 O19 C70 C20A 149(2) . . . . ?
Ti1 O21 C44 O7 -5.4(17) . . . . ?
Ti1 O21 C44 C18 174.8(7) . . . . ?
Ti4 Ti1 O14 Eu1 -145.3(8) . . . . ?
Ti4 Ti1 O17 Ti2 5.2(10) . . . . ?
Ti4 O12 C22 O6 27.2(18) . . . . ?
Ti4 O12 C22 C56 -153.2(8) . . . . ?
Ti4 O7 C44 O21 -2.0(16) . . . . ?
Ti4 O7 C44 C18 177.8(7) . . . . ?
Ti4 O2 C42 O8 -2(2) . . . . ?
Ti4 O2 C42 C52 -176.4(12) . . . . ?
Ti4 O2 C42 C109 166.3(18) . . . . ?
Ti2 Ti3 O18 Ti4 -1.4(10) . . . . ?
Ti2 O16 C36 O10 1.9(18) . . . . ?
Ti2 O16 C36 C108 -179.2(7) . . . . ?
Ti2 O26 C32 O5 -4(3) . . . . ?
Ti2 O26 C32 C94 174.0(16) . . . . ?
Ti2 O26 C32 C94A -173.3(17) . . . . ?
Ti2 O11 C104 C26 162.1(8) . . . . ?
Ti2 O11 C104 O3 -18(2) . . . . ?
Ti3 Ti2 O17 Ti1 -5.0(10) . . . . ?
Ti3 Ti2 O9 Eu2 -141.9(8) . . . . ?
Ti3 O10 C36 O16 4.3(19) . . . . ?
Ti3 O10 C36 C108 -174.6(7) . . . . ?
Ti3 O13 C30 O24 26(2) . . . . ?
Ti3 O13 C30 C82 -150.6(13) . . . . ?
Ti3 O13 C30 C82A -151(3) . . . . ?
Ti3 O23 C68 C78 178.8(8) . . . . ?
Ti3 O23 C68 O25 0.9(18) . . . . ?
O1 C40 C48 C95 179.2(10) . . . . ?
O1 C40 C48 C29 2.7(15) . . . . ?
O4 Ti1 O14 Eu1 168.0(12) . . . . ?
O4 Ti1 O14 Ti4 -46.7(17) . . . . ?
O4 Ti1 O17 Ti2 139.1(9) . . . . ?
O4 C40 C48 C95 1.1(14) . . . . ?
O4 C40 C48 C29 -175.4(8) . . . . ?
O6 C22 C56 C81 -5.7(15) . . . . ?
O6 C22 C56 C60 173.4(9) . . . . ?
O8 C42 C52 C11 0.3(19) . . . . ?
O8 C42 C52 C21 -176.8(11) . . . . ?
O8 C42 C109 C107 29(2) . . . . ?
O8 C42 C109 C111 -161.6(15) . . . . ?
O10 C36 C108 C38 -19.9(14) . . . . ?
O10 C36 C108 C99 160.2(10) . . . . ?
O12 Ti4 O18 Ti3 -134.8(9) . . . . ?
O12 Ti4 O22 Eu2 61.5(5) . . . . ?
O12 Ti4 O22 Ti1 -163.4(4) . . . . ?
O12 C22 C56 C81 174.7(8) . . . . ?
O12 C22 C56 C60 -6.3(13) . . . . ?
O14 Ti1 O17 Ti2 -35.1(10) . . . . ?
O14 Ti4 O18 Ti3 41.9(9) . . . . ?
O14 Ti4 O22 Eu2 -123.7(5) . . . . ?
O14 Ti4 O22 Ti1 11.4(4) . . . . ?
O16 Ti2 O17 Ti1 165.7(15) . . . . ?
O16 Ti2 O9 Eu2 142.5(5) . . . . ?
O16 Ti2 O9 Ti3 -75.6(4) . . . . ?
O16 C36 C108 C38 161.1(10) . . . . ?
O16 C36 C108 C99 -18.8(15) . . . . ?
O18 Ti4 O14 Eu1 34.2(6) . . . . ?
O18 Ti4 O14 Ti1 -110.5(4) . . . . ?
O18 Ti4 O22 Eu2 -28.7(5) . . . . ?
O18 Ti4 O22 Ti1 106.4(4) . . . . ?
O20 Ti2 O17 Ti1 36.8(10) . . . . ?
O20 Ti2 O9 Eu2 -130.0(6) . . . . ?
O20 Ti2 O9 Ti3 11.9(4) . . . . ?
O20 Ti3 O18 Ti4 -43.2(9) . . . . ?
O22 Ti1 O14 Eu1 -133.8(6) . . . . ?
O22 Ti1 O14 Ti4 11.5(4) . . . . ?
O22 Ti1 O17 Ti2 46.6(10) . . . . ?
O22 Ti4 O14 Eu1 133.1(6) . . . . ?
O22 Ti4 O14 Ti1 -11.7(4) . . . . ?
O22 Ti4 O18 Ti3 -41.2(9) . . . . ?
O24 C30 C82 C72 22.0(19) . . . . ?
O24 C30 C82 C92 -159.1(12) . . . . ?
O24 C30 C82A C72A 9(5) . . . . ?
O24 C30 C82A C92A -164(2) . . . . ?
O26 Ti2 O17 Ti1 -136.1(9) . . . . ?
O26 Ti2 O9 Eu2 59.8(6) . . . . ?
O26 Ti2 O9 Ti3 -158.3(5) . . . . ?
O26 C32 C94 C69 -172.0(16) . . . . ?
O26 C32 C94 C46 -1(3) . . . . ?
O26 C32 C94A C69A 144.4(18) . . . . ?
O26 C32 C94A C46A -29(3) . . . . ?
O13 Ti3 O18 Ti4 127.0(9) . . . . ?
O13 C30 C82 C72 -161.3(11) . . . . ?
O13 C30 C82 C92 18(2) . . . . ?
O13 C30 C82A C72A -174(3) . . . . ?
O13 C30 C82A C92A 13(4) . . . . ?
O7 Ti4 O14 Eu1 -140.1(5) . . . . ?
O7 Ti4 O14 Ti1 75.2(4) . . . . ?
O7 Ti4 O18 Ti3 -170.3(16) . . . . ?
O7 Ti4 O22 Eu2 143.0(5) . . . . ?
O7 Ti4 O22 Ti1 -81.9(4) . . . . ?
O15 C70 C20 C84 167.1(14) . . . . ?
O15 C70 C20 C64 -13(3) . . . . ?
O15 C70 C20A C64A -17(3) . . . . ?
O15 C70 C20A C84A 162(2) . . . . ?
O2 Ti4 O14 Eu1 -56.5(6) . . . . ?
O2 Ti4 O14 Ti1 158.8(5) . . . . ?
O2 Ti4 O18 Ti3 134.0(9) . . . . ?
O2 Ti4 O22 Eu2 177.0(18) . . . . ?
O2 Ti4 O22 Ti1 -48(2) . . . . ?
O2 C42 C52 C11 174.8(12) . . . . ?
O2 C42 C52 C21 -2.3(17) . . . . ?
O2 C42 C109 C107 -141.3(16) . . . . ?
O2 C42 C109 C111 28(3) . . . . ?
O17 Ti1 O14 Eu1 -36.0(6) . . . . ?
O17 Ti1 O14 Ti4 109.3(4) . . . . ?
O17 Ti2 O9 Eu2 -31.9(6) . . . . ?
O17 Ti2 O9 Ti3 110.0(5) . . . . ?
C6 N1 C58 C100 -177.6(12) . . . . ?
C6 N1 C58 C19 5(2) . . . . ?
C6 C12 C102 C19 3(2) . . . . ?
C8 N4 C100 C58 178.4(11) . . . . ?
C8 N4 C100 C57 -0.2(18) . . . . ?
C8 C62 C67 C57 3.1(18) . . . . ?
C8 C62 C67 C83 -177.4(12) . . . . ?
C8 C62 C49 C110 130.7(13) . . . . ?
C8 C62 C49 C2 -133.1(13) . . . . ?
O9 Ti2 O17 Ti1 -45.8(10) . . . . ?
O9 Ti3 O18 Ti4 38.9(9) . . . . ?
O19 Ti1 O14 Eu1 56.4(6) . . . . ?
O19 Ti1 O14 Ti4 -158.3(5) . . . . ?
O19 Ti1 O17 Ti2 -122.9(9) . . . . ?
O19 C70 C20 C84 -14(2) . . . . ?
O19 C70 C20 C64 166.3(14) . . . . ?
O19 C70 C20A C64A 160(2) . . . . ?
O19 C70 C20A C84A -20(4) . . . . ?
N1 C6 C12 C102 -1(2) . . . . ?
N1 C58 C100 N4 -5.7(17) . . . . ?
N1 C58 C100 C57 172.9(13) . . . . ?
N1 C58 C19 C102 -3(2) . . . . ?
C10 C16 C78 C1 -2(2) . . . . ?
C10 C16 C78 C68 178.9(13) . . . . ?
C10 C88 C59 C1 -3(3) . . . . ?
C12 C6 N1 Eu2 177.3(11) . . . . ?
C12 C6 N1 C58 -2(2) . . . . ?
C12 C102 C19 C58 -1(2) . . . . ?
O5 C32 C94 C69 6(3) . . . . ?
O5 C32 C94 C46 176.4(16) . . . . ?
O5 C32 C94A C69A -26(3) . . . . ?
O5 C32 C94A C46A 160.2(17) . . . . ?
N4 C8 C62 C67 -1.0(19) . . . . ?
N4 C8 C62 C49 178.7(12) . . . . ?
N4 C100 C57 C67 2(2) . . . . ?
O21 Ti1 O14 Eu1 137.3(5) . . . . ?
O21 Ti1 O14 Ti4 -77.3(4) . . . . ?
O11 Ti2 O17 Ti1 131.3(9) . . . . ?
C16 C10 C88 C59 3(3) . . . . ?
O23 Ti3 O18 Ti4 -136.4(9) . . . . ?
O23 C68 C78 C1 4.5(18) . . . . ?
O23 C68 C78 C16 -176.7(12) . . . . ?
O23 C68 O25 Eu1 31(2) . . . . ?
C18 C4 C105 C28 0.0 . . . . ?
C4 C18 C43 C112 0.0 . . . . ?
C4 C18 C44 O7 20.0(14) . . . . ?
C4 C18 C44 O21 -160.2(9) . . . . ?
C4 C105 C28 C112 0.0 . . . . ?
C105 C28 C112 C43 0.0 . . . . ?
C28 C112 C43 C18 0.0 . . . . ?
C43 C18 C4 C105 0.0 . . . . ?
C43 C18 C44 O7 -163.3(9) . . . . ?
C43 C18 C44 O21 16.5(13) . . . . ?
C22 C56 C81 C9 179.0(9) . . . . ?
C22 C56 C60 C106 -179.0(9) . . . . ?
N6 C31 C5 C65 -11(3) . . . . ?
N6 C31 C5 C65A 8(3) . . . . ?
N6 C31 C23 N3 5.2(19) . . . . ?
N6 C31 C23 C37 -174.8(15) . . . . ?
N6 C79 C87 C65 16(6) . . . . ?
N6 C79 C87 C97 171(3) . . . . ?
N6 C79 C87A C97A 168(2) . . . . ?
N6 C79 C87A C65A -12(5) . . . . ?
C26 C34 C73 C113 0.0 . . . . ?
C34 C26 C76 C90 0.0 . . . . ?
C34 C26 C104 O11 174.5(9) . . . . ?
C34 C26 C104 O3 -5.4(16) . . . . ?
C34 C73 C113 C90 0.0 . . . . ?
C73 C113 C90 C76 0.0 . . . . ?
C113 C90 C76 C26 0.0 . . . . ?
C76 C26 C34 C73 0.0 . . . . ?
C76 C26 C104 O11 2.2(15) . . . . ?
C76 C26 C104 O3 -177.7(10) . . . . ?
C30 C82 C72 C98 179.0(19) . . . . ?
C30 C82 C92 C50 -179(2) . . . . ?
C30 C82A C72A C98A -173(5) . . . . ?
C30 C82A C92A C50A 173(5) . . . . ?
C32 C94 C46 C93 -170(3) . . . . ?
C32 C94A C46A C93A 174(3) . . . . ?
C36 C108 C99 C14 179.9(10) . . . . ?
C38 C108 C99 C14 0.0 . . . . ?
C108 C38 C86 C33 0.0 . . . . ?
C108 C99 C14 C33 0.0 . . . . ?
C99 C14 C33 C86 0.0 . . . . ?
C14 C33 C86 C38 0.0 . . . . ?
C86 C38 C108 C36 -179.9(10) . . . . ?
C86 C38 C108 C99 0.0 . . . . ?
C42 C52 C21 C63 177.1(17) . . . . ?
C42 C109 C111 C55 -169(3) . . . . ?
C44 C18 C4 C105 176.7(10) . . . . ?
C44 C18 C43 C112 -176.7(10) . . . . ?
N3 C41 C3 C91 4(3) . . . . ?
C56 C81 C9 C15 0.0 . . . . ?
C81 C56 C60 C106 0.0 . . . . ?
C81 C9 C15 C106 0.0 . . . . ?
C9 C15 C106 C60 0.0 . . . . ?
C15 C106 C60 C56 0.0 . . . . ?
C60 C56 C81 C9 0.0 . . . . ?
C58 C100 C57 C67 -176.1(12) . . . . ?
C62 C8 N4 Eu2 172.1(10) . . . . ?
C62 C8 N4 C100 -0.4(18) . . . . ?
C62 C67 C83 C77 -2.2(19) . . . . ?
C70 C20 C64 C66 180(3) . . . . ?
C70 C20A C64A C66A 178(3) . . . . ?
C70 C20A C84A C114 -178(3) . . . . ?
C74 C35 C75 C85 167(3) . . . . ?
C74 C35 C75 C7 -82(2) . . . . ?
C74 C35 C97 C87 -179(3) . . . . ?
C74 C35 C97 C7 74(3) . . . . ?
C78 C1 C59 C88 1(2) . . . . ?
C78 C68 O25 Eu1 -146.6(11) . . . . ?
C82 C72 C98 C96 0.0 . . . . ?
C72 C82 C92 C50 0.0 . . . . ?
C72 C98 C96 C50 0.0 . . . . ?
C98 C96 C50 C92 0.0 . . . . ?
C96 C50 C92 C82 0.0 . . . . ?
C92 C82 C72 C98 0.0 . . . . ?
C84 C20 C64 C66 0.0 . . . . ?
C20 C84 C101 C51 0.0 . . . . ?
C20 C64 C66 C51 0.0 . . . . ?
C64 C66 C51 C101 0.0 . . . . ?
C66 C51 C101 C84 0.0 . . . . ?
C101 C84 C20 C70 -180(3) . . . . ?
C101 C84 C20 C64 0.0 . . . . ?
C88 C10 C16 C78 0(2) . . . . ?
C100 C58 C19 C102 179.2(12) . . . . ?
C100 C57 C67 C62 -4(2) . . . . ?
C100 C57 C67 C83 176.7(13) . . . . ?
C104 C26 C34 C73 -172.2(10) . . . . ?
C104 C26 C76 C90 172.4(10) . . . . ?
O25 C68 C78 C1 -177.6(12) . . . . ?
O25 C68 C78 C16 1.2(18) . . . . ?
C110 C77 C83 C67 50.0(19) . . . . ?
C57 C67 C83 C77 177.3(14) . . . . ?
C59 C1 C78 C16 1(2) . . . . ?
C59 C1 C78 C68 -179.7(13) . . . . ?
C61 C110 C77 C2 147.3(13) . . . . ?
C61 C110 C77 C83 35.9(19) . . . . ?
C61 C110 C49 C62 -36.9(17) . . . . ?
C61 C110 C49 C2 -145.8(15) . . . . ?
C31 N6 C79 C87 -2(3) . . . . ?
C31 N6 C79 C87A 4(3) . . . . ?
C31 C5 C65A C85A -176(2) . . . . ?
C31 C5 C65A C87A -17(4) . . . . ?
C2 C77 C83 C67 -47.4(16) . . . . ?
C65 C87 C97 C35 -49(4) . . . . ?
C65 C87 C97 C7 43(4) . . . . ?
C67 C62 C49 C110 -49.6(14) . . . . ?
C67 C62 C49 C2 46.6(15) . . . . ?
C69 C94 C46 C93 0.0 . . . . ?
C94 C69 C53 C47 0.0 . . . . ?
C94 C46 C93 C47 0.0 . . . . ?
C46 C93 C47 C53 0.0 . . . . ?
C93 C47 C53 C69 0.0 . . . . ?
C53 C69 C94 C32 171(3) . . . . ?
C53 C69 C94 C46 0.0 . . . . ?
C35 C75 C85 C65 54(4) . . . . ?
C35 C75 C7 C97 -27.8(18) . . . . ?
C35 C97 C7 C75 28.5(19) . . . . ?
C71 C35 C75 C85 45(3) . . . . ?
C71 C35 C75 C7 156(3) . . . . ?
C71 C35 C97 C87 -38(4) . . . . ?
C71 C35 C97 C7 -145(3) . . . . ?
C37 C91 C3 C41 -8(3) . . . . ?
C75 C35 C97 C87 81(2) . . . . ?
C75 C35 C97 C7 -26.6(18) . . . . ?
C19 C58 C100 N4 172.0(13) . . . . ?
C19 C58 C100 C57 -9(2) . . . . ?
C77 C110 C49 C62 79.2(11) . . . . ?
C77 C110 C49 C2 -29.6(10) . . . . ?
C77 C2 C49 C62 -82.0(12) . . . . ?
C77 C2 C49 C110 29.5(11) . . . . ?
C39 C110 C77 C2 -83.2(15) . . . . ?
C39 C110 C77 C83 165.4(14) . . . . ?
C39 C110 C49 C62 -167.7(12) . . . . ?
C39 C110 C49 C2 83.5(14) . . . . ?
C79 N6 C31 C5 -1.2(19) . . . . ?
C79 N6 C31 C23 -177.3(12) . . . . ?
C79 C87 C97 C35 156(4) . . . . ?
C79 C87 C97 C7 -112(4) . . . . ?
C5 C31 C23 N3 -170.9(14) . . . . ?
C5 C31 C23 C37 9(2) . . . . ?
C5 C65 C85 C75 -179(3) . . . . ?
C5 C65 C87 C79 -26(6) . . . . ?
C5 C65 C87 C97 176(3) . . . . ?
C5 C65A C87A C79 18(5) . . . . ?
C5 C65A C87A C97A -162(3) . . . . ?
C41 N3 C23 C31 177.6(13) . . . . ?
C41 N3 C23 C37 -2(2) . . . . ?
C85 C65 C5 C31 -166(3) . . . . ?
C85 C65 C87 C79 163(3) . . . . ?
C85 C65 C87 C97 6(6) . . . . ?
C85 C75 C7 C97 78(3) . . . . ?
C87 C65 C5 C31 24(5) . . . . ?
C87 C65 C85 C75 -10(6) . . . . ?
C87 C97 C7 C75 -81(2) . . . . ?
C11 C52 C21 C63 0.0 . . . . ?
C52 C11 C25 C45 0.0 . . . . ?
C52 C21 C63 C45 0.0 . . . . ?
C21 C63 C45 C25 0.0 . . . . ?
C63 C45 C25 C11 0.0 . . . . ?
C25 C11 C52 C42 -177.1(17) . . . . ?
C25 C11 C52 C21 0.0 . . . . ?
C91 C37 C23 N3 -2(3) . . . . ?
C91 C37 C23 C31 177.8(16) . . . . ?
C23 N3 C41 C3 2(2) . . . . ?
C23 C31 C5 C65 165(2) . . . . ?
C23 C31 C5 C65A -176(2) . . . . ?
C23 C37 C91 C3 8(3) . . . . ?
C95 C24 C54 C27 0.0 . . . . ?
C24 C95 C48 C40 -176.5(10) . . . . ?
C24 C95 C48 C29 0.0 . . . . ?
C24 C54 C27 C29 0.0 . . . . ?
C54 C27 C29 C48 0.0 . . . . ?
C27 C29 C48 C40 176.6(9) . . . . ?
C27 C29 C48 C95 0.0 . . . . ?
C48 C95 C24 C54 0.0 . . . . ?
C97 C35 C75 C85 -83(2) . . . . ?
C97 C35 C75 C7 28.1(18) . . . . ?
C49 C62 C67 C57 -176.7(12) . . . . ?
C49 C62 C67 C83 2.8(17) . . . . ?
C49 C110 C77 C2 28.9(9) . . . . ?
C49 C110 C77 C83 -82.5(14) . . . . ?
C49 C2 C77 C110 -29.6(10) . . . . ?
C49 C2 C77 C83 85.4(12) . . . . ?
C107 C109 C111 C55 0.0 . . . . ?
C109 C107 C13 C103 0.0 . . . . ?
C109 C111 C55 C103 0.0 . . . . ?
C111 C55 C103 C13 0.0 . . . . ?
C55 C103 C13 C107 0.0 . . . . ?
C13 C107 C109 C42 170(3) . . . . ?
C13 C107 C109 C111 0.0 . . . . ?
C7 C75 C85 C65 -39(4) . . . . ?
C69A C94A C46A C93A 0.0 . . . . ?
C94A C69A C53A C47A 0.0 . . . . ?
C94A C46A C93A C47A 0.0 . . . . ?
C46A C93A C47A C53A 0.0 . . . . ?
C93A C47A C53A C69A 0.0 . . . . ?
C53A C69A C94A C32 -174(3) . . . . ?
C53A C69A C94A C46A 0.0 . . . . ?
C20A C64A C66A C51A 3(4) . . . . ?
C20A C84A C114 C51A -1(4) . . . . ?
C64A C20A C84A C114 1(4) . . . . ?
C64A C66A C51A C114 -4(5) . . . . ?
C84A C20A C64A C66A -2(4) . . . . ?
C84A C114 C51A C66A 3(5) . . . . ?
C82A C72A C98A C96A 0.0 . . . . ?
C72A C82A C92A C50A 0.0 . . . . ?
C72A C98A C96A C50A 0.0 . . . . ?
C98A C96A C50A C92A 0.0 . . . . ?
C96A C50A C92A C82A 0.0 . . . . ?
C92A C82A C72A C98A 0.0 . . . . ?
C74A C35A C75A C85A 168.9(18) . . . . ?
C74A C35A C75A C7A -81.3(19) . . . . ?
C74A C35A C97A C7A 80(2) . . . . ?
C74A C35A C97A C87A -172(2) . . . . ?
C35A C75A C85A C65A 47(3) . . . . ?
C35A C75A C7A C97A -26.3(15) . . . . ?
C35A C97A C7A C75A 26.7(16) . . . . ?
C35A C97A C87A C79 132(3) . . . . ?
C35A C97A C87A C65A -47(3) . . . . ?
C71A C35A C75A C85A 42(3) . . . . ?
C71A C35A C75A C7A 152(2) . . . . ?
C71A C35A C97A C7A -145(3) . . . . ?
C71A C35A C97A C87A -37(3) . . . . ?
C75A C35A C97A C7A -24.9(15) . . . . ?
C75A C35A C97A C87A 82.5(18) . . . . ?
C75A C85A C65A C5 161(3) . . . . ?
C75A C85A C65A C87A 1(4) . . . . ?
C85A C75A C7A C97A 82(2) . . . . ?
C85A C65A C87A C79 179(3) . . . . ?
C85A C65A C87A C97A -1(5) . . . . ?
C97A C35A C75A C85A -83.4(19) . . . . ?
C97A C35A C75A C7A 26.5(15) . . . . ?
C7A C75A C85A C65A -48(3) . . . . ?
C7A C97A C87A C79 -136(3) . . . . ?
C7A C97A C87A C65A 44(3) . . . . ?
C87A C97A C7A C75A -79.2(19) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 53 electrons were 
found in a volume of 202Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
1[C2H3N], 1[C2H3N], 1[H2O] per Unit Cell 
which account for 54 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.109 0.225 0.238 106 27 '1 MeCN'
2 -0.071 0.525 0.800 96 26 '1 MeCN,1 H2O'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.576
_oxdiff_exptl_absorpt_empirical_full_min 0.712
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9485
2 0.0515

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6
_database_code_depnum_ccdc_archive 'CCDC 2214397'
loop_
_audit_author_name
_audit_author_address
'Xiang-Jian kong'
;Xiamen University
China
;
_audit_update_record             
;
2022-11-29 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C144 H166 Eu2 N4 O26 Ti4'
_chemical_formula_sum            'C144 H166 Eu2 N4 O26 Ti4'
_chemical_formula_weight         2864.32
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Eu Ti C O N'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2191 1.8069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   17.4057(2)
_cell_length_b                   21.3759(3)
_cell_length_c                   22.6058(3)
_cell_angle_alpha                89.6750(10)
_cell_angle_beta                 75.5190(10)
_cell_angle_gamma                70.3620(10)
_cell_volume                     7641.52(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    61831
_cell_measurement_temperature    100.00(13)
_cell_measurement_theta_max      74.0860
_cell_measurement_theta_min      2.7840
_shelx_estimated_absorpt_T_max   0.567
_shelx_estimated_absorpt_T_min   0.298
_exptl_absorpt_coefficient_mu    7.989
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            104418
_diffrn_reflns_point_group_measured_fraction_full 0.673
_diffrn_reflns_point_group_measured_fraction_max 0.635
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.456
_diffrn_reflns_theta_min         2.026
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     22.00 114.00   0.50    0.12    --   42.36  53.00-103.00  184
  2  ω     94.00 161.00   0.50    0.40    --  104.75  53.00-103.00  134
  3  ω    124.00 177.00   0.50    0.40    --  104.75  45.00   0.00  106
  4  ω     81.00 175.00   0.50    0.40    --  104.75  30.00  30.00  188
  5  ω     83.00 109.00   0.50    0.40    --  104.75  45.00   0.00   52
  6  ω     44.00 105.00   0.50    0.40    --  104.75 -77.00-150.00  122
  7  ω     34.00  72.00   0.50    0.40    --  104.75 -61.00   0.00   76
  8  ω     36.00  61.00   0.50    0.40    --  104.75 -61.00  60.00   50
  9  ω     31.00  61.00   0.50    0.40    --  104.75 -53.00 111.00   60
 10  ω     69.00 119.00   0.50    0.40    --  104.75-134.00  -9.32  100
 11  ω     87.00 112.00   0.50    0.40    --  104.75-125.00  90.00   50
 12  ω     41.00  73.00   0.50    0.40    --  104.75-125.00  90.00   64
 13  ω     56.00 112.00   0.50    0.40    --  104.75-125.00  60.00  112
 14  ω     69.00 112.00   0.50    0.40    --  104.75-125.00  30.00   86
 15  ω     65.00 111.00   0.50    0.40    --  104.75-125.00 -60.00   92
 16  ω     30.00 103.00   0.50    0.40    --  104.75 -95.00 -60.00  146
 17  ω     36.00  61.00   0.50    0.40    --  104.75-125.00-180.00   50
 18  ω     77.00 102.00   0.50    0.40    --  104.75 -95.00-180.00   50
 19  ω     63.00  95.00   0.50    0.40    --  104.75 -95.00-150.00   64
 20  ω    -36.00  23.00   0.50    0.12    --   42.36 -19.00 -30.00  118
 21  ω    -10.00  65.00   0.50    0.12    --   42.36 -57.00 -30.00  150
 22  ω    -29.00   4.00   0.50    0.12    --   42.36 -53.00 111.00   66
 23  ω     12.00  37.00   0.50    0.12    --   42.36 -53.00 111.00   50
 24  ω     79.00 178.00   0.50    0.40    --  104.75 125.00 -90.00  198
 25  ω    -24.00  38.00   0.50    0.12    --  -42.36  19.00-150.00  124
 26  ω    -56.00 -27.00   0.50    0.12    --  -42.36  53.00-103.00   58
 27  ω    -18.00  31.00   0.50    0.12    --  -42.36  53.00-103.00   98
 28  ω    -63.00 -25.00   0.50    0.40    --  -99.00  61.00-120.00   76
 29  ω    -52.00 -26.00   0.50    0.40    --  -99.00  53.00-103.00   52
 30  ω    -49.00 -24.00   0.50    0.40    --  -99.00  45.00 -60.00   50
 31  ω    -57.00 -29.00   0.50    0.40    --  -99.00  61.00 -30.00   56
 32  ω    -49.00 -23.00   0.50    0.40    --  -99.00  45.00   0.00   52
 33  ω    -49.00 -24.00   0.50    0.40    --  -99.00  45.00  30.00   50
 34  ω    -97.00 -62.00   0.50    0.40    --  -99.00  77.00  60.00   70
 35  ω   -116.00 -41.00   0.50    0.40    --  -99.00 131.00  35.43  150
 36  ω    -90.00 -31.00   0.50    0.40    --  -99.00 125.00  30.00  118
 37  ω    -64.00 -35.00   0.50    0.12    --  -42.36 125.00  30.00   58
 38  ω    -94.00 -69.00   0.50    0.12    --  -42.36 125.00  30.00   50
 39  ω   -110.00 -49.00   0.50    0.40    --  -99.00 125.00 120.00  122
 40  ω   -103.00 -77.00   0.50    0.40    --  -99.00 125.00 150.00   52
 41  ω    -74.00 -29.00   0.50    0.40    --  -99.00 125.00 150.00   90
 42  ω   -109.00 -27.00   0.50    0.40    --  -99.00 115.00 144.00  164
 43  ω   -116.00 -23.00   0.50    0.12    --  -42.36 -53.00 111.00  186
 44  ω   -172.00 -78.00   0.50    0.40    --  -99.00 -53.00 111.00  188
 45  ω   -168.00-141.00   0.50    0.40    --  -99.00-125.00   0.00   54
 46  ω   -117.00 -83.00   0.50    0.40    --  -99.00-125.00   0.00   68
 47  ω   -172.00 -97.00   0.50    0.40    --  -99.00 -95.00-150.00  150
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0073939000
_diffrn_orient_matrix_UB_12      0.0567405000
_diffrn_orient_matrix_UB_13      0.0451619000
_diffrn_orient_matrix_UB_21      -0.0946030000
_diffrn_orient_matrix_UB_22      0.0323234000
_diffrn_orient_matrix_UB_23      0.0029999000
_diffrn_orient_matrix_UB_31      -0.0220421000
_diffrn_orient_matrix_UB_32      -0.0404323000
_diffrn_orient_matrix_UB_33      0.0542434000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.331
_reflns_Friedel_fraction_full    0.349
_reflns_Friedel_fraction_max     0.316
_reflns_number_gt                36701
_reflns_number_total             39672
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.720
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.040(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3694
_refine_ls_number_reflns         39672
_refine_ls_number_restraints     4970
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0320
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0475P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0819
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.960(2)
 0.040(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C43-C275 = C345-C275 = C275-C173
 1.52 with sigma of 0.01
 C173-C43
 2.45 with sigma of 0.01
 C43-C345
 2.45 with sigma of 0.01
 C345-C173
 2.45 with sigma of 0.01
 C122-C124 \\sim C311-C153
 with sigma of 0.02
 C255-C73 \\sim C315-C39
 with sigma of 0.04
 C309-C39 \\sim C309-C157 \\sim C309-C315 \\sim C39-C315 \\sim C157-C315
 with sigma of 0.02
 C139-C291 \\sim C85-C169
 with sigma of 0.02
 C342-C255 \\sim C313-C315
 with sigma of 0.02
 C111-C299 \\sim C159-C161
 with sigma of 0.02
 C253-C139 \\sim C337-C85
 with sigma of 0.04
 C313-C309 \\sim C313-C39 \\sim C313-C157 \\sim C313-C315
 with sigma of 0.01
 C2-C139 \\sim C341-C85
 with sigma of 0.04
 C130-C255 \\sim C309-C315
 with sigma of 0.04
 C255-C301 \\sim C315-C157
 with sigma of 0.04
 C122-C132 \\sim C311-C155
 with sigma of 0.02
 C139-C297 \\sim C85-C339
 with sigma of 0.04
 C131-C151 \\sim C5-C81
 with sigma of 0.04
 C151-C303 \\sim C81-C323
 with sigma of 0.04
 C32-C37 \\sim C317-C37
 with sigma of 0.04
 C299-C151 \\sim C161-C81
 with sigma of 0.04
 C154-C124 \\sim C154-C153
 with sigma of 0.02
 C59-C303 \\sim C321-C323
 with sigma of 0.02
 C342-C73 \\sim C313-C39
 with sigma of 0.02
 C131-C303 \\sim C5-C323
 with sigma of 0.04
 C59-C151 \\sim C321-C81
 with sigma of 0.02
 C124-C126 \\sim C153-C307
 with sigma of 0.02
 C299-C303 \\sim C161-C323
 with sigma of 0.04
 C130-C255 \\sim C130-C73 \\sim C130-C301 \\sim C255-C73 \\sim C255-C301
 with sigma of 0.02
 C342-C130 \\sim C342-C255 \\sim C342-C73 \\sim C342-C301
 with sigma of 0.01
 C342-C130 \\sim C313-C309
 with sigma of 0.02
 C235-C65 \\sim C79-C319
 with sigma of 0.04
 C130-C73 \\sim C309-C39
 with sigma of 0.04
 C73-C301 \\sim C39-C157
 with sigma of 0.04
 C32-C120 \\sim C317-C325
 with sigma of 0.02
 C342-C301 \\sim C313-C157
 with sigma of 0.02
 C59-C299 \\sim C321-C161
 with sigma of 0.02
 C130-C128 \\sim C309-C77
 with sigma of 0.02
 C111-C235 \\sim C159-C79
 with sigma of 0.04
 C130-C132 \\sim C309-C155
 with sigma of 0.02
 C131-C37 \\sim C5-C37
 with sigma of 0.04
 C32-C235 \\sim C317-C79
 with sigma of 0.02
 C128-C126 \\sim C77-C307
 with sigma of 0.02
 C235-C37 \\sim C79-C37
 with sigma of 0.02
 C65-C299 \\sim C319-C161
 with sigma of 0.02
 C32-C192 \\sim C317-C192
 with sigma of 0.04
 C120-C111 \\sim C325-C159
 with sigma of 0.04
 C111-C65 \\sim C159-C319
 with sigma of 0.04
 C122-C154 \\sim C311-C154
 with sigma of 0.04
 C122-C130 \\sim C311-C309
 with sigma of 0.04
 C122-C126 \\sim C311-C307
 with sigma of 0.04
 C154-C126 \\sim C154-C307
 with sigma of 0.04
 C124-C128 \\sim C153-C77
 with sigma of 0.04
 C124-C132 \\sim C153-C155
 with sigma of 0.04
 C342-C128 \\sim C313-C77
 with sigma of 0.04
 C32-C111 \\sim C317-C159
 with sigma of 0.02
 C342-C132 \\sim C313-C155
 with sigma of 0.04
 C120-C192 \\sim C325-C192
 with sigma of 0.02
 C235-C131 \\sim C79-C5
 with sigma of 0.02
 C59-C131 \\sim C321-C5
 with sigma of 0.02
 C65-C131 \\sim C319-C5
 with sigma of 0.02
 C130-C126 \\sim C309-C307
 with sigma of 0.04
 C130-C301 \\sim C309-C157
 with sigma of 0.04
 C32-C131 \\sim C317-C5
 with sigma of 0.04
 C32-C299 \\sim C317-C161
 with sigma of 0.04
 C120-C235 \\sim C325-C79
 with sigma of 0.04
 C111-C59 \\sim C159-C321
 with sigma of 0.04
 C235-C59 \\sim C79-C321
 with sigma of 0.04
 C59-C65 \\sim C321-C319
 with sigma of 0.04
 C128-C132 \\sim C77-C155
 with sigma of 0.04
 C131-C299 \\sim C5-C161
 with sigma of 0.04
 C12-C114 \\sim C327-C41
 with sigma of 0.02
 C103-C275 \\sim C173-C275
 with sigma of 0.02
 C146-C291 \\sim C146-C169
 with sigma of 0.04
 C251-C2 \\sim C171-C341
 with sigma of 0.02
 C184-C273 \\sim C165-C331
 with sigma of 0.02
 C207-C253 \\sim C21-C337
 with sigma of 0.02
 C208-C314 \\sim C333-C329
 with sigma of 0.02
 C208-C49 \\sim C333-C335
 with sigma of 0.02
 C251-C291 \\sim C171-C169
 with sigma of 0.04
 C208-C241 \\sim C333-C167
 with sigma of 0.02
 C208-C247 \\sim C333-C83
 with sigma of 0.02
 C146-C253 \\sim C146-C337
 with sigma of 0.02
 C262-C273 \\sim C163-C331
 with sigma of 0.02
 C253-C291 \\sim C337-C169
 with sigma of 0.02
 C12-C166 \\sim C327-C166
 with sigma of 0.04
 C146-C207 \\sim C146-C21
 with sigma of 0.04
 C12-C314 \\sim C327-C329
 with sigma of 0.04
 C207-C291 \\sim C21-C169
 with sigma of 0.04
 C12-C273 \\sim C327-C331
 with sigma of 0.04
 C114-C184 \\sim C41-C165
 with sigma of 0.04
 C114-C208 \\sim C41-C333
 with sigma of 0.04
 C338-C275 \\sim C43-C275
 with sigma of 0.02
 C114-C262 \\sim C41-C163
 with sigma of 0.04
 C208-C314 \\sim C208-C49 \\sim C208-C241 \\sim C208-C247
 with sigma of 0.01
 C166-C273 \\sim C166-C331
 with sigma of 0.04
 C184-C208 \\sim C165-C333
 with sigma of 0.04
 C207-C2 \\sim C21-C341
 with sigma of 0.02
 C184-C262 \\sim C165-C163
 with sigma of 0.04
 C314-C49 \\sim C329-C335
 with sigma of 0.04
 C314-C241 \\sim C329-C167
 with sigma of 0.04
 C2-C291 \\sim C341-C169
 with sigma of 0.02
 C314-C247 \\sim C329-C83
 with sigma of 0.04
 C291-C297 \\sim C169-C339
 with sigma of 0.02
 C314-C273 \\sim C329-C331
 with sigma of 0.04
 C146-C251 \\sim C146-C171
 with sigma of 0.04
 C207-C251 \\sim C21-C171
 with sigma of 0.04
 C49-C241 \\sim C335-C167
 with sigma of 0.04
 C113-C251 \\sim C113-C171
 with sigma of 0.04
 C49-C247 \\sim C335-C83
 with sigma of 0.04
 C253-C2 \\sim C337-C341
 with sigma of 0.04
 C253-C297 \\sim C337-C339
 with sigma of 0.04
 C241-C247 \\sim C167-C83
 with sigma of 0.04
 C2-C297 \\sim C341-C339
 with sigma of 0.04
 C329-C83 \\sim C329-C167 \\sim C167-C335
 with sigma of 0.02
 C3-C275 \\sim C345-C275
 with sigma of 0.02
 C333-C329 \\sim C333-C83 \\sim C333-C167 \\sim C333-C335
 with sigma of 0.01
 C12-C262 \\sim C327-C163
 with sigma of 0.02
 C314-C241 \\sim C314-C247 \\sim C49-C241
 with sigma of 0.02
 C114-C314 \\sim C41-C329
 with sigma of 0.02
 C166-C262 \\sim C166-C163
 with sigma of 0.02
 C184-C314 \\sim C165-C329
 with sigma of 0.02
 C242-C246 \\sim C1A-C246
 with sigma of 0.02
 C246-C290 \\sim C246-C74
 with sigma of 0.02
 C246-C289 \\sim C246-C1B
 with sigma of 0.02
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
C146 \\sim C207 \\sim C251 \\sim C253 \\sim C2 \\sim C139 \\sim C9 \\sim C291
\\sim C297 \\sim C21 \\sim C337 \\sim C169 \\sim C339 \\sim C85 \\sim C341
\\sim C171: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
C342 \\sim C130 \\sim C255 \\sim C73 \\sim C132 \\sim C301 \\sim C309 \\sim C39
\\sim C155 \\sim C313 \\sim C157 \\sim C315 \\sim C124 \\sim C128 \\sim C126
\\sim C153 \\sim C77 \\sim C307 \\sim C122 \\sim C311: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C235 \\sim C59 \\sim C65 \\sim C131 \\sim C303 \\sim C319 \\sim C5 \\sim C321
\\sim C161 \\sim C81 \\sim C323 \\sim C32 \\sim C79 \\sim C317 \\sim C299 \\sim
C159 \\sim C111 \\sim C325 \\sim C120: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C12 \\sim C114 \\sim C184 \\sim C208 \\sim C262 \\sim C314 \\sim C49 \\sim C241
\\sim C247 \\sim C273 \\sim C163 \\sim C327 \\sim C41 \\sim C329 \\sim C165
\\sim C331 \\sim C83 \\sim C333 \\sim C167 \\sim C335: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
C338 \\sim C3 \\sim C103 \\sim C275 \\sim C43 \\sim C345 \\sim C173: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C267 \\sim C69 \\sim C217 \\sim C293 \\sim C205 \\sim C257 \\sim C123: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C242 \\sim C246 \\sim C290 \\sim C289 \\sim C74 \\sim C1A \\sim C1B: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C39) \\sim Ueq, Uanis(C315) \\sim Ueq, Uanis(C157) \\sim Ueq, Uanis(C73)
\\sim Ueq, Uanis(C301) \\sim Ueq, Uanis(C255) \\sim Ueq: with sigma of 0.005
and sigma for terminal atoms of 0.01
Uanis(C255) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C173) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
6. Others
 Sof(C153)=Sof(C307)=Sof(H307)=Sof(C77)=Sof(H77)=Sof(C309)=Sof(C155)=Sof(H155)=
 Sof(C311)=Sof(H311)=Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=Sof(C313)=Sof(C157)=
 Sof(H15D)=Sof(H15E)=Sof(H15F)=Sof(C315)=Sof(H31D)=Sof(H31E)=Sof(H31F)=1-FVAR(1)
 Sof(C122)=Sof(H122)=Sof(C124)=Sof(C126)=Sof(H126)=Sof(C128)=Sof(H128)=
 Sof(C130)=Sof(C132)=Sof(H132)=Sof(C342)=Sof(C255)=Sof(H25C)=Sof(H25D)=
 Sof(H25E)=Sof(C73)=Sof(H73A)=Sof(H73B)=Sof(H73C)=Sof(C301)=Sof(H30A)=Sof(H30B)=
 Sof(H30C)=FVAR(1)
 Sof(H37A)=Sof(C79)=Sof(C317)=Sof(C159)=Sof(H15G)=Sof(H15H)=Sof(C319)=
 Sof(H31G)=Sof(H31H)=Sof(C5)=Sof(H5)=Sof(C321)=Sof(C161)=Sof(H161)=Sof(C323)=
 Sof(H32J)=Sof(H32K)=Sof(H32L)=Sof(C81)=Sof(H81A)=Sof(H81B)=Sof(H81C)=Sof(C325)=
 Sof(H325)=1-FVAR(2)
 Sof(C32)=Sof(C120)=Sof(H120)=Sof(C111)=Sof(H11A)=Sof(H11B)=Sof(C235)=Sof(C59)=
 Sof(C65)=Sof(H65A)=Sof(H65B)=Sof(C131)=Sof(H131)=Sof(H37)=Sof(C299)=Sof(H299)=
 Sof(C151)=Sof(H15A)=Sof(H15B)=Sof(H15C)=Sof(C303)=Sof(H30D)=Sof(H30E)=
 Sof(H30F)=FVAR(2)
 Sof(C163)=Sof(C327)=Sof(H327)=Sof(C41)=Sof(H41)=Sof(C329)=Sof(C165)=Sof(H165)=
 Sof(C331)=Sof(H331)=Sof(C83)=Sof(H83A)=Sof(H83B)=Sof(H83C)=Sof(C333)=Sof(C167)=
 Sof(H16G)=Sof(H16H)=Sof(H16I)=Sof(C335)=Sof(H33M)=Sof(H33N)=Sof(H33O)=1-FVAR(3)
 Sof(C12)=Sof(H12)=Sof(C114)=Sof(H114)=Sof(C184)=Sof(H184)=Sof(C208)=Sof(C262)=
 Sof(C314)=Sof(C49)=Sof(H49A)=Sof(H49B)=Sof(H49C)=Sof(C241)=Sof(H24G)=Sof(H24H)=
 Sof(H24I)=Sof(C247)=Sof(H24J)=Sof(H24K)=Sof(H24L)=Sof(C273)=Sof(H273)=FVAR(3)
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(C337)=Sof(H337)=Sof(C169)=Sof(C339)=
 Sof(H33D)=Sof(H33E)=Sof(H33F)=Sof(C85)=Sof(H85A)=Sof(H85B)=Sof(H85C)=Sof(C341)=
 Sof(H341)=Sof(C171)=Sof(H17D)=Sof(H17E)=1-FVAR(4)
 Sof(C207)=Sof(H20D)=Sof(H20E)=Sof(C251)=Sof(H25A)=Sof(H25B)=Sof(C253)=
 Sof(H253)=Sof(C2)=Sof(H2)=Sof(C139)=Sof(H13A)=Sof(H13B)=Sof(H13C)=Sof(C291)=
 Sof(C297)=Sof(H29G)=Sof(H29H)=Sof(H29I)=FVAR(4)
 Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=Sof(C345)=Sof(H34A)=Sof(H34B)=
 Sof(H34C)=Sof(C173)=Sof(H17F)=Sof(H17G)=Sof(H17H)=1-FVAR(5)
 Sof(C338)=Sof(H33A)=Sof(H33B)=Sof(H33C)=Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(H3C)=
 Sof(C103)=Sof(H10A)=Sof(H10B)=Sof(H10C)=FVAR(5)
 Sof(C74)=Sof(H74A)=Sof(H74B)=Sof(H74C)=Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(H1AC)=
 Sof(C1B)=Sof(H1BA)=Sof(H1BB)=Sof(H1BC)=1-FVAR(6)
 Sof(C242)=Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C290)=Sof(H29A)=Sof(H29B)=
 Sof(H29C)=Sof(C289)=Sof(H28D)=Sof(H28E)=Sof(H28F)=FVAR(6)
7.a Ternary CH refined with riding coordinates:
 C302(H302), C197(H197), C253(H253), C2(H2), C131(H131), C135(H135), C17(H17),
 C299(H299), C5(H5), C161(H161), C337(H337), C341(H341)
7.b Secondary CH2 refined with riding coordinates:
 C276(H27A,H27B), C344(H34D,H34E), C183(H18A,H18B), C207(H20D,H20E), C111(H11A,
 H11B), C251(H25A,H25B), C65(H65A,H65B), C67(H67A,H67B), C159(H15G,H15H),
 C319(H31G,H31H), C21(H21A,H21B), C171(H17D,H17E)
7.c Me refined with riding coordinates:
 C315(H31D,H31E,H31F)
7.d Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C8(H8), C12(H12), C24(H24), C30(H30), C36(H36), C38(H38),
 C44(H44), C46(H46), C52(H52), C58(H58), C60(H60), C62(H62), C64(H64), C68(H68),
  C70(H70), C82(H82), C90(H90), C94(H94), C110(H110), C112(H112), C114(H114),
 C116(H116), C118(H118), C120(H120), C122(H122), C126(H126), C128(H128),
 C132(H132), C142(H142), C144(H144), C150(H150), C152(H152), C156(H156),
 C158(H158), C160(H160), C164(H164), C176(H176), C178(H178), C180(H180),
 C182(H182), C184(H184), C188(H188), C194(H194), C212(H212), C218(H218),
 C220(H220), C224(H224), C230(H230), C234(H234), C236(H236), C238(H238),
 C248(H248), C250(H250), C254(H254), C256(H256), C258(H258), C260(H260),
 C264(H264), C268(H268), C274(H274), C278(H278), C282(H282), C294(H294),
 C298(H298), C306(H306), C318(H318), C326(H326), C330(H330), C334(H334),
 C346(H346), C87(H87), C45(H45), C181(H181), C91(H91), C185(H185), C95(H95),
 C97(H97), C195(H195), C99(H99), C199(H199), C203(H203), C51(H51), C221(H221),
 C113(H113), C229(H229), C233(H233), C348(H348), C121(H121), C123(H123),
 C125(H125), C257(H257), C129(H129), C261(H261), C263(H263), C133(H133),
 C269(H269), C271(H271), C273(H273), C277(H277), C281(H281), C285(H285),
 C37(H37), C37(H37A), C307(H307), C77(H77), C155(H155), C311(H311), C325(H325),
 C327(H327), C41(H41), C165(H165), C331(H331)
7.e Fitted hexagon refined as free rotating group:
 C122(C124,C126,C128,C130,C132), C153(C307,C77,C309,C155,C311)
7.f Idealised Me refined as rotating group:
 C16(H16D,H16E,H16F), C20(H20A,H20B,H20C), C78(H78A,H78B,H78C), C92(H92A,H92B,
 H92C), C134(H13D,H13E,H13F), C138(H13G,H13H,H13I), C162(H16A,H16B,H16C),
 C170(H17A,H17B,H17C), C190(H19D,H19E,H19F), C198(H19A,H19B,H19C), C200(H20F,
 H20G,H20H), C202(H20I,H20J,H20K), C206(H20L,H20M,H20N), C226(H22D,H22E,H22F),
 C232(H23A,H23B,H23C), C240(H24A,H24B,H24C), C242(H24D,H24E,H24F), C290(H29A,
 H29B,H29C), C316(H31A,H31B,H31C), C320(H32A,H32B,H32C), C324(H32D,H32E,H32F),
 C328(H32G,H32H,H32I), C332(H33G,H33H,H33I), C338(H33A,H33B,H33C), C11(H11F,
 H11G,H11H), C177(H17I,H17J,H17K), C89(H89A,H89B,H89C), C23(H23J,H23K,H23L),
 C191(H19G,H19H,H19I), C3(H3A,H3B,H3C), C49(H49A,H49B,H49C), C201(H20O,H20P,
 H20Q), C103(H10A,H10B,H10C), C53(H53A,H53B,H53C), C213(H21C,H21D,H21E),
 C107(H10D,H10E,H10F), C215(H21F,H21G,H21H), C217(H21I,H21J,H21K), C55(H55A,
 H55B,H55C), C7(H7A,H7B,H7C), C225(H22A,H22B,H22C), C57(H57A,H57B,H57C),
 C115(H11C,H11D,H11E), C231(H23D,H23E,H23F), C239(H23G,H23H,H23I), C241(H24G,
 H24H,H24I), C61(H61A,H61B,H61C), C247(H24J,H24K,H24L), C31(H31I,H31J,H31K),
 C127(H12A,H12B,H12C), C255(H25C,H25D,H25E), C33(H33J,H33K,H33L), C265(H26A,
 H26B,H26C), C69(H69A,H69B,H69C), C139(H13A,H13B,H13C), C283(H28G,H28H,H28I),
 C71(H71A,H71B,H71C), C143(H14A,H14B,H14C), C287(H28A,H28B,H28C), C289(H28D,
 H28E,H28F), C145(H14D,H14E,H14F), C73(H73A,H73B,H73C), C293(H29J,H29K,H29L),
 C295(H29D,H29E,H29F), C297(H29G,H29H,H29I), C301(H30A,H30B,H30C), C151(H15A,
 H15B,H15C), C303(H30D,H30E,H30F), C39(H39A,H39B,H39C), C157(H15D,H15E,H15F),
 C323(H32J,H32K,H32L), C81(H81A,H81B,H81C), C83(H83A,H83B,H83C), C167(H16G,H16H,
 H16I), C335(H33M,H33N,H33O), C339(H33D,H33E,H33F), C85(H85A,H85B,H85C),
 C43(H43A,H43B,H43C), C345(H34A,H34B,H34C), C173(H17F,H17G,H17H), C74(H74A,H74B,
 H74C), C1A(H1AA,H1AB,H1AC), C1B(H1BA,H1BB,H1BC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.46433(2) 0.14126(2) 0.18522(2) 0.02010(7) Uani 1 1 d . U . . .
Eu4 Eu 0.52496(2) 0.84530(2) 0.67097(2) 0.01973(7) Uani 1 1 d . U . . .
Eu2 Eu 0.48336(2) 0.62650(2) 0.83620(2) 0.01942(7) Uani 1 1 d . U . . .
Eu3 Eu 0.55072(2) 0.33663(2) 0.32506(2) 0.02066(7) Uani 1 1 d . U . . .
Ti1 Ti 0.48316(6) 0.31191(5) 0.18471(5) 0.02184(19) Uani 1 1 d . U . . .
Ti4 Ti 0.64474(6) 0.68351(5) 0.72437(4) 0.02131(19) Uani 1 1 d . U . . .
Ti6 Ti 0.49386(6) 0.79903(5) 0.83515(4) 0.02058(19) Uani 1 1 d . U . . .
Ti8 Ti 0.36864(6) 0.29433(4) 0.29244(4) 0.02159(19) Uani 1 1 d . U . . .
Ti2 Ti 0.64622(6) 0.18476(5) 0.21699(4) 0.02227(19) Uani 1 1 d . U . . .
Ti5 Ti 0.51486(6) 0.67340(5) 0.67262(4) 0.0209(2) Uani 1 1 d . U . . .
Ti3 Ti 0.36379(6) 0.78876(4) 0.78405(4) 0.02083(19) Uani 1 1 d . U . . .
Ti7 Ti 0.53185(6) 0.16675(5) 0.32511(5) 0.0223(2) Uani 1 1 d . U . . .
O1 O 0.4502(2) 0.33838(17) 0.27028(16) 0.0226(7) Uani 1 1 d . U . . .
O4 O 0.5288(2) 0.38828(18) 0.15944(17) 0.0254(7) Uani 1 1 d . U . . .
O6 O 0.5374(2) 0.87628(18) 0.84070(17) 0.0244(7) Uani 1 1 d . U . . .
O8 O 0.5952(2) 0.22269(17) 0.29767(17) 0.0236(7) Uani 1 1 d . U . . .
O10 O 0.4646(2) 0.67951(18) 0.93717(17) 0.0253(7) Uani 1 1 d . U . . .
O12 O 0.5883(2) 0.25402(17) 0.17995(17) 0.0253(7) Uani 1 1 d . U . . .
O14 O 0.7228(2) 0.61452(18) 0.64994(17) 0.0257(7) Uani 1 1 d . U . . .
O16 O 0.5208(2) 0.75943(18) 0.91157(17) 0.0260(8) Uani 1 1 d . U . . .
O18 O 0.7339(2) 0.10628(18) 0.24786(18) 0.0286(8) Uani 1 1 d . U . . .
O20 O 0.2789(2) 0.25289(18) 0.29973(17) 0.0257(7) Uani 1 1 d . U . . .
O22 O 0.7023(2) 0.12799(18) 0.13695(17) 0.0264(8) Uani 1 1 d . U . . .
O24 O 0.4434(2) 0.83405(17) 0.77038(16) 0.0210(7) Uani 1 1 d . U . . .
C1 C 0.5591(3) 0.9105(3) 0.7972(3) 0.0229(10) Uani 1 1 d . U . . .
O26 O 0.3726(2) 0.38707(18) 0.17645(18) 0.0277(8) Uani 1 1 d . U . . .
O28 O 0.7193(2) 0.61778(18) 0.77060(18) 0.0268(8) Uani 1 1 d . U . . .
O30 O 0.6215(2) 0.60611(18) 0.60933(18) 0.0276(8) Uani 1 1 d . U . . .
O32 O 0.5829(3) 0.27649(18) 0.41135(17) 0.0268(8) Uani 1 1 d . U . . .
O34 O 0.3866(2) 0.86589(18) 0.65757(17) 0.0242(7) Uani 1 1 d . U . . .
O36 O 0.4301(2) 0.74310(17) 0.83520(17) 0.0226(7) Uani 1 1 d . U . . .
O38 O 0.7307(2) 0.72947(18) 0.69318(18) 0.0266(8) Uani 1 1 d . U . . .
O40 O 0.6788(2) 0.81140(19) 0.63611(18) 0.0268(8) Uani 1 1 d . U . . .
O42 O 0.4880(3) 0.28276(19) 0.09813(17) 0.0271(8) Uani 1 1 d . U . . .
O44 O 0.4134(2) 0.72610(17) 0.71900(16) 0.0221(7) Uani 1 1 d . U . . .
O46 O 0.4289(3) 0.58332(19) 0.76571(17) 0.0273(8) Uani 1 1 d . U . . .
O48 O 0.2779(2) 0.74345(18) 0.81676(17) 0.0267(8) Uani 1 1 d . U . . .
O50 O 0.3895(2) 0.86581(18) 0.89864(17) 0.0256(7) Uani 1 1 d . U . . .
O52 O 0.5951(2) 0.11629(18) 0.10524(18) 0.0263(7) Uani 1 1 d . U . . .
O13 O 0.3126(2) 0.18021(18) 0.21831(18) 0.0263(8) Uani 1 1 d . U . . .
O27 O 0.5645(2) 0.63863(17) 0.73770(17) 0.0229(7) Uani 1 1 d . U . . .
O7 O 0.4895(2) 0.71400(18) 0.59628(17) 0.0253(8) Uani 1 1 d . U . . .
O29 O 0.5960(2) 0.74587(18) 0.78910(17) 0.0244(7) Uani 1 1 d . U . . .
O15 O 0.5788(2) 0.72943(17) 0.67269(16) 0.0222(7) Uani 1 1 d . U . . .
O31 O 0.3306(2) 0.66104(18) 0.87347(17) 0.0251(7) Uani 1 1 d . U . . .
C4 C 0.6580(6) 0.4118(4) 0.4724(3) 0.0511(18) Uani 1 1 d . U . . .
H4 H 0.706396 0.392660 0.487418 0.061 Uiso 1 1 calc R U . . .
O2 O 0.4183(2) 0.09329(18) 0.27754(17) 0.0260(7) Uani 1 1 d . U . . .
O33 O 0.5481(3) 0.79197(19) 0.56851(17) 0.0276(8) Uani 1 1 d . U . . .
O17 O 0.4322(2) 0.20165(17) 0.09909(17) 0.0251(7) Uani 1 1 d . U . . .
O35 O 0.6198(2) 0.60623(19) 0.85013(18) 0.0267(8) Uani 1 1 d . U . . .
O9 O 0.2897(2) 0.85309(18) 0.73747(18) 0.0258(8) Uani 1 1 d . U . . .
C6 C 0.2658(4) 0.9823(3) 0.6320(3) 0.0314(11) Uani 1 1 d . U . . .
H6 H 0.321172 0.969257 0.605273 0.038 Uiso 1 1 calc R U . . .
O37 O 0.5741(2) 0.89378(18) 0.74179(17) 0.0260(7) Uani 1 1 d . U . . .
N1 N 0.5809(3) 0.5036(2) 0.7964(2) 0.0265(9) Uani 1 1 d . U . . .
O19 O 0.6440(2) 0.09245(18) 0.33297(18) 0.0279(8) Uani 1 1 d . U . . .
C8 C 0.6176(4) 0.7282(3) 0.4471(3) 0.0364(13) Uani 1 1 d . U . . .
H8 H 0.636040 0.763325 0.456026 0.044 Uiso 1 1 calc R U . . .
C10 C 0.6969(4) 0.5938(3) 0.6087(3) 0.0258(11) Uani 1 1 d . U . . .
O39 O 0.5967(3) 0.38507(18) 0.23235(18) 0.0275(8) Uani 1 1 d . U . . .
C12 C 0.8387(9) 0.4994(7) 0.7971(9) 0.034(2) Uani 0.564(8) 1 d D U P A 1
H12 H 0.856631 0.518535 0.760448 0.041 Uiso 0.564(8) 1 calc R U P A 1
O5 O 0.4273(2) 0.22447(17) 0.32978(17) 0.0241(7) Uani 1 1 d . U . . .
C14 C 0.2654(3) 0.2095(2) 0.2690(2) 0.0234(10) Uani 1 1 d . U . . .
C16 C 0.3377(5) 1.1329(4) 0.8709(4) 0.0569(19) Uani 1 1 d . U . . .
H16D H 0.365164 1.097218 0.894130 0.085 Uiso 1 1 calc R U . . .
H16E H 0.331443 1.176119 0.889712 0.085 Uiso 1 1 calc R U . . .
H16F H 0.372468 1.126581 0.828484 0.085 Uiso 1 1 calc R U . . .
C18 C 0.4916(4) 0.0074(3) 0.0902(3) 0.0262(11) Uani 1 1 d . U . . .
O41 O 0.4199(3) 0.3607(2) 0.40471(18) 0.0305(8) Uani 1 1 d . U . . .
C20 C 0.6309(5) 0.6862(3) 0.1074(4) 0.0513(17) Uani 1 1 d . U . . .
H20A H 0.573199 0.693600 0.104662 0.077 Uiso 1 1 calc R U . . .
H20B H 0.649291 0.722216 0.089208 0.077 Uiso 1 1 calc R U . . .
H20C H 0.632015 0.685566 0.150491 0.077 Uiso 1 1 calc R U . . .
O21 O 0.7024(2) 0.29804(18) 0.29182(18) 0.0260(7) Uani 1 1 d . U . . .
C22 C 0.7165(4) 0.0793(3) 0.2976(3) 0.0272(11) Uani 1 1 d . U . . .
C24 C 0.9070(4) 0.4873(3) 0.5025(3) 0.0398(13) Uani 1 1 d . U . . .
H24 H 0.964425 0.468409 0.503471 0.048 Uiso 1 1 calc R U . . .
C26 C 0.5396(4) 0.4760(3) 0.9001(3) 0.0285(11) Uani 1 1 d . U . . .
O43 O 0.7380(2) 0.22574(18) 0.20946(17) 0.0261(7) Uani 1 1 d . U . . .
N4 N 0.5557(3) 0.0162(2) 0.1704(2) 0.0264(9) Uani 1 1 d . U . . .
O11 O 0.5273(3) 0.19567(19) 0.41083(17) 0.0278(8) Uani 1 1 d . U . . .
C28 C 0.4134(4) 0.0153(3) 0.3515(2) 0.0258(11) Uani 1 1 d . U . . .
C30 C 0.1764(4) 0.6343(3) 0.8976(3) 0.0300(12) Uani 1 1 d . U . . .
H30 H 0.213014 0.615082 0.922877 0.036 Uiso 1 1 calc R U . . .
N6 N 0.4751(3) 0.5365(2) 0.9097(2) 0.0272(9) Uani 1 1 d . U . . .
C32 C 0.3325(11) 0.5828(8) 0.3896(9) 0.055(3) Uani 0.452(7) 1 d D U P B 1
O45 O 0.2863(2) 0.86121(18) 0.85784(17) 0.0255(7) Uani 1 1 d . U . . .
C34 C 0.5308(3) 0.7426(3) 0.5563(2) 0.0245(10) Uani 1 1 d . U . . .
O23 O 0.3120(2) 0.35006(18) 0.37394(18) 0.0272(8) Uani 1 1 d . U . . .
C36 C 0.4911(4) -0.0226(3) 0.0360(3) 0.0316(12) Uani 1 1 d . U . . .
H36 H 0.536781 -0.061343 0.016140 0.038 Uiso 1 1 calc R U . . .
C38 C 0.6146(4) -0.0072(3) 0.2018(3) 0.0341(12) Uani 1 1 d . U . . .
H38 H 0.611722 0.019379 0.236364 0.041 Uiso 1 1 calc R U . . .
O47 O 0.5647(2) 0.14080(17) 0.23910(17) 0.0220(7) Uani 1 1 d . U . . .
C40 C 0.3736(5) 0.8489(4) 1.2032(3) 0.0494(17) Uani 1 1 d . U . . .
C42 C 0.9689(4) 0.3212(3) 0.1579(3) 0.0421(14) Uani 1 1 d . U . . .
C44 C 0.1475(4) 0.4709(3) 0.2289(3) 0.0406(14) Uani 1 1 d . U . . .
H44 H 0.134624 0.449708 0.265261 0.049 Uiso 1 1 calc R U . . .
C46 C 0.4423(4) -0.0867(3) 0.4023(3) 0.0345(13) Uani 1 1 d . U . . .
H46 H 0.480610 -0.121088 0.418307 0.041 Uiso 1 1 calc R U . . .
C48 C 0.8840(4) 0.4774(3) 0.4486(3) 0.0350(12) Uani 1 1 d . U . . .
N8 N 0.4306(3) 0.0653(2) 0.1164(2) 0.0257(9) Uani 1 1 d . U . . .
C50 C 0.3179(4) 1.1006(3) 0.7401(3) 0.0309(11) Uani 1 1 d . U . . .
C52 C 0.0655(4) 0.2066(3) 0.3809(3) 0.0392(13) Uani 1 1 d . U . . .
H52 H 0.033135 0.225034 0.421259 0.047 Uiso 1 1 calc R U . . .
C54 C 0.4264(4) 1.0169(3) 0.6648(3) 0.0286(11) Uani 1 1 d . U . . .
C56 C 0.9477(4) 0.4342(3) 0.3911(3) 0.0401(13) Uani 1 1 d . U . . .
C58 C 0.5934(6) 0.4680(4) 0.5032(3) 0.0535(19) Uani 1 1 d . U . . .
H58 H 0.595676 0.487295 0.540150 0.064 Uiso 1 1 calc R U . . .
C60 C 0.4523(4) 0.8381(3) 1.0910(3) 0.0372(13) Uani 1 1 d . U . . .
H60 H 0.467947 0.874617 1.100275 0.045 Uiso 1 1 calc R U . . .
C62 C 0.6222(3) 0.4862(2) 0.7374(2) 0.0269(10) Uani 1 1 d . U . . .
H62 H 0.617494 0.520302 0.709937 0.032 Uiso 1 1 calc R U . . .
C64 C 0.8470(4) 0.5241(3) 0.5539(3) 0.0366(13) Uani 1 1 d . U . . .
H64 H 0.863496 0.530065 0.589834 0.044 Uiso 1 1 calc R U . . .
C66 C 0.2295(3) 0.4536(3) 0.1941(3) 0.0285(11) Uani 1 1 d . U . . .
C68 C 0.6487(4) 0.6950(3) 0.3887(3) 0.0400(14) Uani 1 1 d . U . . .
H68 H 0.689052 0.706994 0.358634 0.048 Uiso 1 1 calc R U . . .
C70 C 0.4678(4) -0.0357(3) 0.3757(3) 0.0334(12) Uani 1 1 d . U . . .
H70 H 0.522911 -0.035683 0.373878 0.040 Uiso 1 1 calc R U . . .
C72 C 0.7638(4) 0.5521(3) 0.5533(3) 0.0290(11) Uani 1 1 d . U . . .
O3 O 0.2819(2) 0.37327(18) 0.26031(17) 0.0258(7) Uani 1 1 d . U . . .
C76 C 0.4412(3) 0.2548(3) 0.0809(2) 0.0246(10) Uani 1 1 d . U . . .
C78 C 0.5866(5) 1.1687(3) 0.9389(3) 0.0395(14) Uani 1 1 d . U . . .
H78A H 0.535432 1.162620 0.964181 0.059 Uiso 1 1 calc R U . . .
H78B H 0.586711 1.213022 0.949639 0.059 Uiso 1 1 calc R U . . .
H78C H 0.636609 1.134575 0.946203 0.059 Uiso 1 1 calc R U . . .
C80 C 0.7104(4) 0.1183(3) 0.5555(3) 0.0322(12) Uani 1 1 d . U . . .
C82 C 0.8217(4) 0.0298(3) 0.0533(3) 0.0506(17) Uani 1 1 d . U . . .
H82 H 0.838569 0.052926 0.080634 0.061 Uiso 1 1 calc R U . . .
N12 N 0.5855(3) 0.4107(2) 0.3951(2) 0.0302(10) Uani 1 1 d . U . . .
C84 C 0.6191(4) 0.1891(3) 0.4746(3) 0.0279(11) Uani 1 1 d . U . . .
C86 C 0.7347(4) 0.7767(3) 0.6602(2) 0.0253(10) Uani 1 1 d . U . . .
C88 C 0.4177(5) 0.3103(3) 0.6424(3) 0.0451(16) Uani 1 1 d . U . . .
C90 C 0.4789(4) 0.8097(3) 1.0315(3) 0.0313(12) Uani 1 1 d . U . . .
H90 H 0.511907 0.827169 1.000400 0.038 Uiso 1 1 calc R U . . .
C92 C 1.0382(5) 0.4102(4) 0.3971(3) 0.0518(16) Uani 1 1 d . U . . .
H92A H 1.053032 0.448553 0.406668 0.078 Uiso 1 1 calc R U . . .
H92B H 1.076851 0.386200 0.358326 0.078 Uiso 1 1 calc R U . . .
H92C H 1.042814 0.380241 0.430005 0.078 Uiso 1 1 calc R U . . .
C94 C 0.3081(4) -0.0369(3) 0.3815(3) 0.0314(12) Uani 1 1 d . U . . .
H94 H 0.252457 -0.036277 0.384111 0.038 Uiso 1 1 calc R U . . .
C96 C 0.5767(3) 0.4075(3) 0.1847(3) 0.0250(10) Uani 1 1 d . U . . .
C98 C 0.1948(3) 0.6783(2) 0.8566(2) 0.0237(10) Uani 1 1 d . U . . .
C100 C 0.4256(4) 0.3771(3) 0.6592(3) 0.0362(13) Uani 1 1 d . U . . .
C102 C 0.3140(3) 1.0499(2) 0.7788(2) 0.0287(10) Uani 1 1 d . U . . .
C104 C 0.3135(4) 0.8831(3) 0.6910(2) 0.0250(10) Uani 1 1 d . U . . .
C106 C 0.5600(4) 0.7107(3) 0.4926(2) 0.0269(11) Uani 1 1 d . U . . .
C110 C 0.2164(4) 0.9710(3) 1.0565(3) 0.0318(11) Uani 1 1 d . U . . .
H110 H 0.233700 0.974134 1.092673 0.038 Uiso 1 1 calc R U . . .
C112 C 0.6523(4) 0.3836(3) 0.4197(3) 0.0341(13) Uani 1 1 d . U . . .
H112 H 0.696251 0.343875 0.399912 0.041 Uiso 1 1 calc R U . . .
C114 C 0.8950(8) 0.4429(6) 0.8150(7) 0.041(2) Uani 0.564(8) 1 d D U P A 1
H114 H 0.950673 0.423291 0.789091 0.050 Uiso 0.564(8) 1 calc R U P A 1
N14 N 0.5436(3) 0.9331(2) 0.5958(2) 0.0289(9) Uani 1 1 d . U . . .
C116 C 0.5639(3) 1.0248(2) 0.7761(3) 0.0254(10) Uani 1 1 d . U . . .
H116 H 0.558267 1.017924 0.736101 0.030 Uiso 1 1 calc R U . . .
C118 C 0.5748(4) 0.9861(3) 0.8741(3) 0.0311(12) Uani 1 1 d . U . . .
H118 H 0.576666 0.952509 0.901853 0.037 Uiso 1 1 calc R U . . .
C120 C 0.399(2) 0.5580(14) 0.4171(15) 0.054(4) Uani 0.452(7) 1 d D U P B 1
H120 H 0.402608 0.581416 0.451302 0.065 Uiso 0.452(7) 1 calc R U P B 1
C122 C 0.2979(3) 0.4632(4) 0.4970(4) 0.039(2) Uani 0.529(5) 1 d DG U P C 1
H122 H 0.355929 0.453121 0.495186 0.046 Uiso 0.529(5) 1 calc R U P C 1
C124 C 0.2743(4) 0.4270(4) 0.4583(4) 0.040(2) Uani 0.529(5) 1 d DG U P C 1
C126 C 0.1894(5) 0.4417(5) 0.4610(4) 0.046(2) Uani 0.529(5) 1 d DG U P C 1
H126 H 0.173279 0.416969 0.434541 0.055 Uiso 0.529(5) 1 calc R U P C 1
C128 C 0.1279(3) 0.4926(5) 0.5024(4) 0.052(3) Uani 0.529(5) 1 d DG U P C 1
H128 H 0.069872 0.502640 0.504258 0.063 Uiso 0.529(5) 1 calc R U P C 1
C130 C 0.1515(4) 0.5288(4) 0.5411(4) 0.052(2) Uani 0.529(5) 1 d DG U P C 1
C132 C 0.2364(5) 0.5141(4) 0.5384(4) 0.045(2) Uani 0.529(5) 1 d DG U P C 1
H132 H 0.252521 0.538794 0.564904 0.054 Uiso 0.529(5) 1 calc R U P C 1
C134 C 0.0997(4) 1.1105(3) 1.1211(3) 0.0467(15) Uani 1 1 d . U . . .
H13D H 0.099139 1.135323 1.084486 0.070 Uiso 1 1 calc R U . . .
H13E H 0.157054 1.094614 1.126606 0.070 Uiso 1 1 calc R U . . .
H13F H 0.060717 1.139816 1.157107 0.070 Uiso 1 1 calc R U . . .
C136 C 0.2460(4) 0.9433(3) 0.6795(3) 0.0271(10) Uani 1 1 d . U . . .
C138 C 0.4845(9) 0.2539(4) 0.6634(7) 0.119(5) Uani 1 1 d . U . . .
H13G H 0.540993 0.254517 0.642978 0.179 Uiso 1 1 calc R U . . .
H13H H 0.480626 0.210926 0.652605 0.179 Uiso 1 1 calc R U . . .
H13I H 0.474650 0.260261 0.707890 0.179 Uiso 1 1 calc R U . . .
C140 C 0.9619(4) 0.8249(3) 0.6385(3) 0.0392(14) Uani 1 1 d . U . . .
O49 O 0.4724(2) 0.59564(18) 0.66618(17) 0.0250(8) Uani 1 1 d . U . . .
C142 C 0.4751(4) 1.0315(3) 0.5522(3) 0.0357(13) Uani 1 1 d . U . . .
H142 H 0.430954 1.073472 0.557462 0.043 Uiso 1 1 calc R U . . .
C144 C 0.8740(4) 0.2606(3) 0.1542(3) 0.0361(13) Uani 1 1 d . U . . .
H144 H 0.859904 0.229946 0.132426 0.043 Uiso 1 1 calc R U . . .
C146 C 0.6794(4) -0.0688(3) 0.1857(3) 0.0417(13) Uani 1 1 d D U . . .
C148 C 0.8241(4) 0.2882(3) 0.2117(3) 0.0295(11) Uani 1 1 d . U . . .
C150 C 0.5951(4) 0.9474(3) 0.4895(3) 0.0376(14) Uani 1 1 d . U . . .
H150 H 0.635964 0.930768 0.451311 0.045 Uiso 1 1 calc R U . . .
C152 C 0.9148(4) 0.3508(3) 0.2154(3) 0.0391(13) Uani 1 1 d . U . . .
H152 H 0.927371 0.382709 0.236781 0.047 Uiso 1 1 calc R U . . .
C154 C 0.3439(4) 0.3719(3) 0.4103(3) 0.0303(12) Uani 1 1 d D U . . .
C156 C 0.7761(4) -0.0377(3) -0.0276(3) 0.0373(12) Uani 1 1 d . U . . .
H156 H 0.758998 -0.060381 -0.055083 0.045 Uiso 1 1 calc R U . . .
C158 C 0.8443(4) 0.3351(3) 0.2417(3) 0.0358(12) Uani 1 1 d . U . . .
H158 H 0.808935 0.356294 0.280564 0.043 Uiso 1 1 calc R U . . .
C160 C 0.6675(4) 0.2153(3) 0.4994(3) 0.0291(11) Uani 1 1 d . U . . .
H160 H 0.670727 0.257606 0.488897 0.035 Uiso 1 1 calc R U . . .
C162 C 0.0387(5) 0.6777(4) 0.1595(5) 0.081(3) Uani 1 1 d . U . . .
H16A H 0.038600 0.680089 0.202848 0.121 Uiso 1 1 calc R U . . .
H16B H -0.008325 0.715352 0.152682 0.121 Uiso 1 1 calc R U . . .
H16C H 0.092251 0.679679 0.134019 0.121 Uiso 1 1 calc R U . . .
C164 C 0.7397(4) 0.5446(3) 0.5010(3) 0.0384(13) Uani 1 1 d . U . . .
H164 H 0.682345 0.564841 0.500113 0.046 Uiso 1 1 calc R U . . .
C166 C 0.6949(4) 0.5887(3) 0.8165(3) 0.0255(10) Uani 1 1 d D U . . .
C168 C 0.7368(3) 0.0482(3) 0.0548(2) 0.0299(11) Uani 1 1 d . U . . .
C170 C 1.0982(6) 0.3002(5) 0.0672(5) 0.087(3) Uani 1 1 d . U . . .
H17A H 1.059609 0.307726 0.040791 0.131 Uiso 1 1 calc R U . . .
H17B H 1.122153 0.252297 0.071236 0.131 Uiso 1 1 calc R U . . .
H17C H 1.143920 0.317047 0.049010 0.131 Uiso 1 1 calc R U . . .
C172 C 1.0440(5) 0.8408(4) 0.6306(3) 0.0500(18) Uani 1 1 d . U . . .
C174 C 0.5663(3) 0.9745(3) 0.8165(3) 0.0256(11) Uani 1 1 d . U . . .
C176 C 0.3342(4) 0.0134(3) 0.3533(3) 0.0305(12) Uani 1 1 d . U . . .
H176 H 0.297396 0.046557 0.335232 0.037 Uiso 1 1 calc R U . . .
C178 C 0.5991(4) 0.9113(3) 0.5407(3) 0.0335(12) Uani 1 1 d . U . . .
H178 H 0.643031 0.869379 0.536514 0.040 Uiso 1 1 calc R U . . .
C180 C 0.7116(4) 0.1805(3) 0.5396(3) 0.0298(11) Uani 1 1 d . U . . .
H180 H 0.743634 0.200069 0.556723 0.036 Uiso 1 1 calc R U . . .
C182 C 0.1041(4) 0.6177(3) 0.9023(3) 0.0329(12) Uani 1 1 d . U . . .
H182 H 0.091657 0.588079 0.931610 0.040 Uiso 1 1 calc R U . . .
C184 C 0.7881(7) 0.4451(6) 0.9072(7) 0.042(2) Uani 0.564(8) 1 d D U P A 1
H184 H 0.769800 0.426814 0.944227 0.051 Uiso 0.564(8) 1 calc R U P A 1
C188 C 0.4340(6) 0.4222(4) 0.6182(3) 0.055(2) Uani 1 1 d . U . . .
H188 H 0.436274 0.412119 0.576777 0.066 Uiso 1 1 calc R U . . .
C190 C 1.0696(4) 0.8365(4) 0.6906(3) 0.0428(15) Uani 1 1 d . U . . .
H19D H 1.023117 0.866931 0.722665 0.064 Uiso 1 1 calc R U . . .
H19E H 1.119928 0.849112 0.685161 0.064 Uiso 1 1 calc R U . . .
H19F H 1.082076 0.790782 0.702622 0.064 Uiso 1 1 calc R U . . .
C192 C 0.4583(4) 0.4976(3) 0.3916(3) 0.0349(13) Uani 1 1 d D U . . .
C194 C 0.0718(4) 0.6858(3) 0.8229(3) 0.0359(12) Uani 1 1 d . U . . .
H194 H 0.037041 0.702878 0.795964 0.043 Uiso 1 1 calc R U . . .
C196 C 0.3359(5) -0.1449(3) 0.4373(3) 0.0399(14) Uani 1 1 d . U . . .
C198 C 0.6841(6) 0.6215(4) 0.0064(3) 0.058(2) Uani 1 1 d . U . . .
H19A H 0.724275 0.580164 -0.017336 0.087 Uiso 1 1 calc R U . . .
H19B H 0.697612 0.659643 -0.011506 0.087 Uiso 1 1 calc R U . . .
H19C H 0.626567 0.625783 0.005369 0.087 Uiso 1 1 calc R U . . .
C200 C 0.9418(5) 0.4752(4) 0.3359(3) 0.0550(18) Uani 1 1 d . U . . .
H20F H 0.885133 0.486441 0.329669 0.083 Uiso 1 1 calc R U . . .
H20G H 0.983971 0.449109 0.299251 0.083 Uiso 1 1 calc R U . . .
H20H H 0.952589 0.516203 0.343212 0.083 Uiso 1 1 calc R U . . .
C202 C 1.1139(6) 0.7906(7) 0.5808(4) 0.087(3) Uani 1 1 d . U . . .
H20I H 1.128129 0.746082 0.595695 0.131 Uiso 1 1 calc R U . . .
H20J H 1.164183 0.803700 0.570881 0.131 Uiso 1 1 calc R U . . .
H20K H 1.094088 0.789954 0.543924 0.131 Uiso 1 1 calc R U . . .
C204 C 0.3625(4) -0.0888(3) 0.4062(2) 0.0306(11) Uani 1 1 d . U . . .
C206 C 0.6725(4) 1.1646(3) 0.8325(3) 0.0404(14) Uani 1 1 d . U . . .
H20L H 0.718521 1.125614 0.838574 0.061 Uiso 1 1 calc R U . . .
H20M H 0.680278 1.205350 0.845129 0.061 Uiso 1 1 calc R U . . .
H20N H 0.672769 1.164341 0.789117 0.061 Uiso 1 1 calc R U . . .
C208 C 0.9355(6) 0.3524(4) 0.8852(5) 0.049(2) Uani 0.564(8) 1 d D U P A 1
C210 C 0.4577(4) 0.7561(3) 1.0168(3) 0.0285(11) Uani 1 1 d . U . . .
C212 C 0.9338(4) -0.0447(3) 0.2904(3) 0.0423(14) Uani 1 1 d . U . . .
H212 H 0.988595 -0.059140 0.262671 0.051 Uiso 1 1 calc R U . . .
C216 C 0.1872(4) 0.1935(3) 0.2970(3) 0.0268(10) Uani 1 1 d . U . . .
C218 C 0.5554(4) 0.4376(3) 0.9487(3) 0.0341(12) Uani 1 1 d . U . . .
H218 H 0.600985 0.396352 0.941789 0.041 Uiso 1 1 calc R U . . .
C220 C 0.4026(5) 0.3478(4) 0.0161(3) 0.0488(17) Uani 1 1 d . U . . .
H220 H 0.439176 0.365315 0.029797 0.059 Uiso 1 1 calc R U . . .
C222 C 0.6727(4) 0.1014(3) 0.1015(3) 0.0272(11) Uani 1 1 d . U . . .
C224 C 0.6402(4) 0.3887(3) 0.8163(3) 0.0359(13) Uani 1 1 d . U . . .
H224 H 0.646920 0.355966 0.844944 0.043 Uiso 1 1 calc R U . . .
C226 C 0.4504(5) 0.8452(4) 1.2254(3) 0.0490(16) Uani 1 1 d . U . . .
H22D H 0.483931 0.798422 1.227041 0.074 Uiso 1 1 calc R U . . .
H22E H 0.431788 0.868588 1.266394 0.074 Uiso 1 1 calc R U . . .
H22F H 0.484930 0.866224 1.197029 0.074 Uiso 1 1 calc R U . . .
C228 C 0.6215(4) 0.6445(3) 0.3735(3) 0.0369(13) Uani 1 1 d . U . . .
C230 C 0.2741(3) 0.9321(3) 1.0059(3) 0.0279(11) Uani 1 1 d . U . . .
H230 H 0.330994 0.910001 1.007076 0.033 Uiso 1 1 calc R U . . .
C232 C 0.2471(5) -0.1400(4) 0.4367(3) 0.0469(16) Uani 1 1 d . U . . .
H23A H 0.206312 -0.099039 0.460791 0.070 Uiso 1 1 calc R U . . .
H23B H 0.235148 -0.178652 0.454611 0.070 Uiso 1 1 calc R U . . .
H23C H 0.242477 -0.139016 0.394373 0.070 Uiso 1 1 calc R U . . .
C234 C 0.6883(4) 0.4600(3) 0.1529(3) 0.0287(11) Uani 1 1 d . U . . .
H234 H 0.725023 0.425395 0.169788 0.034 Uiso 1 1 calc R U . . .
O25 O 0.4203(2) 0.25562(17) 0.21205(17) 0.0232(7) Uani 1 1 d . U . . .
C236 C 0.1421(4) 0.7042(3) 0.8183(3) 0.0305(11) Uani 1 1 d . U . . .
H236 H 0.154219 0.734279 0.789397 0.037 Uiso 1 1 calc R U . . .
C238 C 0.2989(4) 0.2969(3) -0.0259(3) 0.0328(12) Uani 1 1 d . U . . .
H238 H 0.263970 0.278287 -0.040458 0.039 Uiso 1 1 calc R U . . .
C240 C 0.8540(5) 0.0688(5) 0.5700(4) 0.085(3) Uani 1 1 d . U . . .
H24A H 0.873542 0.039715 0.531909 0.127 Uiso 1 1 calc R U . . .
H24B H 0.886798 0.047494 0.598666 0.127 Uiso 1 1 calc R U . . .
H24C H 0.861661 0.111525 0.560984 0.127 Uiso 1 1 calc R U . . .
C242 C 0.9748(18) -0.1337(17) 0.4337(9) 0.074(6) Uani 0.41(3) 1 d D U P D 1
H24D H 1.018118 -0.173149 0.442268 0.111 Uiso 0.41(3) 1 calc R U P D 1
H24E H 0.919267 -0.138476 0.447838 0.111 Uiso 0.41(3) 1 calc R U P D 1
H24F H 0.974557 -0.093915 0.455301 0.111 Uiso 0.41(3) 1 calc R U P D 1
C244 C 0.4359(4) 0.5005(3) 0.6933(3) 0.0280(11) Uani 1 1 d . U . . .
C246 C 0.9948(5) -0.1265(3) 0.3637(4) 0.0508(16) Uani 1 1 d D U . . .
C248 C 0.3738(4) 1.0833(3) 0.6827(3) 0.0321(12) Uani 1 1 d . U . . .
H248 H 0.376714 1.116671 0.655092 0.038 Uiso 1 1 calc R U . . .
C250 C 0.2457(4) 0.4845(4) 0.1407(3) 0.0490(18) Uani 1 1 d . U . . .
H250 H 0.301600 0.471464 0.114779 0.059 Uiso 1 1 calc R U . . .
C252 C 0.8061(4) 0.3525(3) 0.6373(3) 0.0395(12) Uani 1 1 d . U . . .
C254 C 0.4249(4) 0.5560(3) 0.9661(3) 0.0307(11) Uani 1 1 d . U . . .
H254 H 0.378789 0.596954 0.972443 0.037 Uiso 1 1 calc R U . . .
O51 O 0.4882(2) 0.08916(18) 0.34881(17) 0.0258(8) Uani 1 1 d . U . . .
C256 C 0.4395(5) 0.4829(4) 0.6346(3) 0.0472(18) Uani 1 1 d . U . . .
H256 H 0.446002 0.512863 0.604070 0.057 Uiso 1 1 calc R U . . .
C258 C 0.9058(4) 0.8521(3) 0.6036(3) 0.0348(13) Uani 1 1 d . U . . .
H258 H 0.918008 0.881561 0.574002 0.042 Uiso 1 1 calc R U . . .
C260 C 0.5039(4) 0.4604(3) 1.0069(3) 0.0385(14) Uani 1 1 d . U . . .
H260 H 0.514890 0.435455 1.040656 0.046 Uiso 1 1 calc R U . . .
C262 C 0.7573(11) 0.5266(14) 0.8334(14) 0.032(2) Uani 0.564(8) 1 d D U P A 1
N16 N 0.4263(3) 0.9699(2) 0.7039(2) 0.0255(9) Uani 1 1 d . U . . .
C264 C 0.3439(4) 0.2628(3) 0.0144(3) 0.0289(11) Uani 1 1 d . U . . .
H264 H 0.339574 0.221373 0.026923 0.035 Uiso 1 1 calc R U . . .
C266 C 0.4028(4) 0.8144(3) 1.1382(3) 0.0367(13) Uani 1 1 d . U . . .
C268 C 0.8409(4) -0.0500(3) 0.3847(4) 0.0480(16) Uani 1 1 d . U . . .
H268 H 0.830377 -0.067535 0.423426 0.058 Uiso 1 1 calc R U . . .
C270 C 0.8133(4) 0.7930(3) 0.6521(3) 0.0269(11) Uani 1 1 d . U . . .
C272 C 0.4419(4) 0.0701(2) 0.3236(2) 0.0237(10) Uani 1 1 d . U . . .
C274 C 0.6595(7) 0.0931(4) 0.5316(4) 0.062(2) Uani 1 1 d . U . . .
H274 H 0.655114 0.051298 0.542985 0.075 Uiso 1 1 calc R U . . .
C276 C 0.7362(5) 0.3000(3) 0.7288(3) 0.0448(15) Uani 1 1 d . U . . .
H27A H 0.785265 0.284717 0.746648 0.054 Uiso 1 1 calc R U . . .
H27B H 0.703215 0.269958 0.739949 0.054 Uiso 1 1 calc R U . . .
C278 C 0.4269(7) 0.3938(4) 0.7174(3) 0.064(2) Uani 1 1 d . U . . .
H278 H 0.423903 0.362574 0.747179 0.077 Uiso 1 1 calc R U . . .
C280 C 0.6636(4) 0.5620(3) 0.1016(3) 0.0303(11) Uani 1 1 d . U . . .
C282 C 0.5696(3) 1.0851(3) 0.7947(3) 0.0282(11) Uani 1 1 d . U . . .
H282 H 0.567167 1.118875 0.766979 0.034 Uiso 1 1 calc R U . . .
C284 C 0.7623(5) 0.0804(3) 0.5981(3) 0.0397(14) Uani 1 1 d . U . . .
C286 C 0.2745(3) 0.6938(2) 0.8485(2) 0.0234(10) Uani 1 1 d . U . . .
C288 C 0.2495(4) 0.9249(3) 0.9524(2) 0.0253(10) Uani 1 1 d . U . . .
C290 C 1.0780(15) -0.1171(19) 0.3397(16) 0.062(6) Uani 0.41(3) 1 d D U P D 1
H29A H 1.078046 -0.077715 0.361707 0.092 Uiso 0.41(3) 1 calc R U P D 1
H29B H 1.087145 -0.110829 0.295852 0.092 Uiso 0.41(3) 1 calc R U P D 1
H29C H 1.123384 -0.156529 0.345877 0.092 Uiso 0.41(3) 1 calc R U P D 1
C292 C 0.7886(4) 0.0260(3) 0.3132(3) 0.0285(11) Uani 1 1 d . U . . .
C294 C 0.3665(4) 0.0905(3) 0.0922(3) 0.0307(12) Uani 1 1 d . U . . .
H294 H 0.323151 0.130679 0.111604 0.037 Uiso 1 1 calc R U . . .
C296 C 0.4824(3) 0.7286(3) 0.9505(2) 0.0241(10) Uani 1 1 d . U . . .
C298 C 0.7159(4) 0.5096(3) 0.1253(3) 0.0315(12) Uani 1 1 d . U . . .
H298 H 0.772095 0.507597 0.122547 0.038 Uiso 1 1 calc R U . . .
C300 C 0.9216(4) -0.0725(3) 0.3461(3) 0.0369(13) Uani 1 1 d . U . . .
C302 C 0.7672(4) 0.2976(3) 0.6590(3) 0.0405(12) Uani 1 1 d . U . . .
H302 H 0.801099 0.252048 0.638104 0.049 Uiso 1 1 calc R U . . .
C304 C 0.5595(4) -0.0216(3) 0.1223(3) 0.0270(11) Uani 1 1 d . U . . .
C306 C 0.5807(4) 1.0459(3) 0.8923(3) 0.0321(12) Uani 1 1 d . U . . .
H306 H 0.586192 1.052269 0.932421 0.038 Uiso 1 1 calc R U . . .
C308 C 0.3947(4) 0.2892(3) 0.0359(2) 0.0258(10) Uani 1 1 d . U . . .
N9 N 0.4620(3) 0.4623(2) 0.3401(3) 0.0344(10) Uani 1 1 d . U . . .
C310 C 0.6899(5) 0.6199(3) 0.0729(3) 0.0397(14) Uani 1 1 d . U . . .
C312 C 0.2504(5) 0.3952(4) -0.0873(3) 0.0484(16) Uani 1 1 d . U . . .
C314 C 0.8723(7) 0.4150(5) 0.8687(6) 0.041(2) Uani 0.564(8) 1 d D U P A 1
C316 C 0.2790(7) 0.4501(5) -0.1139(4) 0.080(3) Uani 1 1 d . U . . .
H31A H 0.270655 0.483215 -0.080908 0.120 Uiso 1 1 calc R U . . .
H31B H 0.245930 0.471420 -0.142458 0.120 Uiso 1 1 calc R U . . .
H31C H 0.339029 0.431906 -0.135858 0.120 Uiso 1 1 calc R U . . .
C318 C 0.5300(5) 1.0081(3) 0.4954(3) 0.0410(14) Uani 1 1 d . U . . .
H318 H 0.523544 1.033019 0.460900 0.049 Uiso 1 1 calc R U . . .
C320 C 0.7806(5) 0.6117(4) 0.0729(4) 0.0522(18) Uani 1 1 d . U . . .
H32A H 0.785277 0.611497 0.115231 0.078 Uiso 1 1 calc R U . . .
H32B H 0.795387 0.648746 0.053665 0.078 Uiso 1 1 calc R U . . .
H32C H 0.819345 0.569479 0.049858 0.078 Uiso 1 1 calc R U . . .
C322 C 0.0982(4) 0.5543(3) 0.1610(3) 0.0417(14) Uani 1 1 d . U . . .
C324 C -0.0205(5) 0.0760(4) 0.3833(4) 0.061(2) Uani 1 1 d . U . . .
H32D H -0.072259 0.067055 0.402842 0.092 Uiso 1 1 calc R U . . .
H32E H 0.018734 0.062996 0.409329 0.092 Uiso 1 1 calc R U . . .
H32F H 0.006093 0.050351 0.343259 0.092 Uiso 1 1 calc R U . . .
C326 C 0.7753(4) -0.0026(4) 0.3682(4) 0.0506(18) Uani 1 1 d . U . . .
H326 H 0.720005 0.010671 0.395116 0.061 Uiso 1 1 calc R U . . .
C328 C -0.0978(6) 0.1688(5) 0.3308(5) 0.074(2) Uani 1 1 d . U . . .
H32G H -0.065742 0.145295 0.290393 0.111 Uiso 1 1 calc R U . . .
H32H H -0.116088 0.216969 0.327417 0.111 Uiso 1 1 calc R U . . .
H32I H -0.147485 0.155580 0.346240 0.111 Uiso 1 1 calc R U . . .
C330 C 0.3574(6) 0.3819(3) -0.0240(3) 0.0524(18) Uani 1 1 d . U . . .
H330 H 0.363482 0.422708 -0.037036 0.063 Uiso 1 1 calc R U . . .
C332 C -0.0620(4) 0.6362(4) 0.8150(3) 0.0435(15) Uani 1 1 d . U . . .
H33G H -0.079747 0.683674 0.808288 0.065 Uiso 1 1 calc R U . . .
H33H H -0.110296 0.620876 0.820178 0.065 Uiso 1 1 calc R U . . .
H33I H -0.016748 0.610767 0.779475 0.065 Uiso 1 1 calc R U . . .
C334 C 0.8816(4) -0.0213(4) 0.0129(4) 0.068(2) Uani 1 1 d . U . . .
H334 H 0.939200 -0.032923 0.013313 0.082 Uiso 1 1 calc R U . . .
C336 C 0.0504(4) 0.6430(3) 0.8655(3) 0.0323(12) Uani 1 1 d . U . . .
C338 C 1.0002(9) -0.0951(9) -0.1064(8) 0.090(4) Uani 0.80(4) 1 d D U P E 1
H33A H 1.034802 -0.128143 -0.141062 0.136 Uiso 0.80(4) 1 calc R U P E 1
H33B H 1.035122 -0.092077 -0.079326 0.136 Uiso 0.80(4) 1 calc R U P E 1
H33C H 0.977514 -0.051513 -0.121694 0.136 Uiso 0.80(4) 1 calc R U P E 1
C342 C 0.0785(6) 0.5898(5) 0.5827(5) 0.059(3) Uani 0.529(5) 1 d D U P C 1
C344 C 0.2603(4) 1.1706(3) 0.7645(3) 0.0453(15) Uani 1 1 d . U . . .
H34D H 0.226515 1.190123 0.735342 0.054 Uiso 1 1 calc R U . . .
H34E H 0.294890 1.198255 0.767869 0.054 Uiso 1 1 calc R U . . .
C346 C 0.8714(5) 0.7634(4) 0.6844(4) 0.057(2) Uani 1 1 d . U . . .
H346 H 0.861428 0.731311 0.711651 0.069 Uiso 1 1 calc R U . . .
C347 C -0.0424(5) 0.1509(4) 0.3747(3) 0.0482(15) Uani 1 1 d . U . . .
C87 C 0.1378(4) 0.2215(3) 0.3545(3) 0.0344(12) Uani 1 1 d . U . . .
H87 H 0.153226 0.251125 0.376428 0.041 Uiso 1 1 calc R U . . .
C175 C 1.0487(5) 0.3374(4) 0.1318(4) 0.0593(19) Uani 1 1 d . U . . .
C11 C 0.3242(7) 0.9223(5) 1.2007(3) 0.090(3) Uani 1 1 d . U . . .
H11F H 0.307338 0.945674 1.241511 0.135 Uiso 1 1 calc R U . . .
H11G H 0.273639 0.926316 1.187050 0.135 Uiso 1 1 calc R U . . .
H11H H 0.359835 0.942024 1.171745 0.135 Uiso 1 1 calc R U . . .
C177 C -0.0991(5) 0.6733(4) 0.9263(4) 0.0555(18) Uani 1 1 d . U . . .
H17I H -0.107656 0.719643 0.917116 0.083 Uiso 1 1 calc R U . . .
H17J H -0.080862 0.665506 0.964200 0.083 Uiso 1 1 calc R U . . .
H17K H -0.152208 0.664814 0.931485 0.083 Uiso 1 1 calc R U . . .
C89 C 0.7351(6) 0.1228(4) 0.6594(3) 0.0504(17) Uani 1 1 d . U . . .
H89A H 0.772597 0.100995 0.685064 0.076 Uiso 1 1 calc R U . . .
H89B H 0.676759 0.127259 0.680644 0.076 Uiso 1 1 calc R U . . .
H89C H 0.738494 0.167029 0.651730 0.076 Uiso 1 1 calc R U . . .
C179 C 0.3120(4) 0.8812(3) 0.8992(3) 0.0253(10) Uani 1 1 d . U . . .
C45 C 0.1646(5) 0.1492(3) 0.2663(3) 0.0413(15) Uani 1 1 d . U . . .
H45 H 0.199285 0.127950 0.227316 0.050 Uiso 1 1 calc R U . . .
C181 C 0.1806(4) 0.5346(4) 0.1244(4) 0.0540(19) Uani 1 1 d . U . . .
H181 H 0.192991 0.555553 0.087835 0.065 Uiso 1 1 calc R U . . .
C91 C 0.5323(4) 0.6607(3) 0.4772(3) 0.0346(13) Uani 1 1 d . U . . .
H91 H 0.493189 0.647501 0.507346 0.042 Uiso 1 1 calc R U . . .
C183 C 0.1654(4) 1.1143(3) 0.8242(3) 0.0399(13) Uani 1 1 d . U . . .
H18A H 0.113232 1.119423 0.856845 0.048 Uiso 1 1 calc R U . . .
H18B H 0.159436 1.103865 0.783339 0.048 Uiso 1 1 calc R U . . .
C23 C 0.8590(4) 0.3700(3) 0.6731(3) 0.0495(15) Uani 1 1 d . U . . .
H23J H 0.830107 0.375855 0.716897 0.074 Uiso 1 1 calc R U . . .
H23K H 0.867506 0.411553 0.660065 0.074 Uiso 1 1 calc R U . . .
H23L H 0.913927 0.334058 0.665597 0.074 Uiso 1 1 calc R U . . .
C185 C 0.4362(4) 0.5197(3) 1.0164(3) 0.0362(13) Uani 1 1 d . U . . .
H185 H 0.398572 0.535031 1.055935 0.043 Uiso 1 1 calc R U . . .
C93 C -0.0299(4) 0.6255(3) 0.8724(3) 0.0414(14) Uani 1 1 d . U . . .
C187 C 0.3039(4) 0.3578(3) -0.0453(3) 0.0351(12) Uani 1 1 d . U . . .
C47 C 0.5738(4) 0.2238(3) 0.4290(2) 0.0257(10) Uani 1 1 d . U . . .
C95 C 0.1665(4) 0.9585(3) 0.9513(3) 0.0299(11) Uani 1 1 d . U . . .
H95 H 0.148610 0.954151 0.915581 0.036 Uiso 1 1 calc R U . . .
C191 C 0.7354(6) 0.6151(4) 0.2716(3) 0.065(2) Uani 1 1 d . U . . .
H19G H 0.778234 0.598946 0.294424 0.097 Uiso 1 1 calc R U . . .
H19H H 0.726082 0.662064 0.264857 0.097 Uiso 1 1 calc R U . . .
H19I H 0.754824 0.588741 0.231922 0.097 Uiso 1 1 calc R U . . .
C3 C 0.8969(7) -0.1410(6) -0.1186(5) 0.043(2) Uani 0.80(4) 1 d D U P E 1
H3A H 0.876075 -0.105399 -0.144160 0.065 Uiso 0.80(4) 1 calc R U P E 1
H3B H 0.850520 -0.155796 -0.097135 0.065 Uiso 0.80(4) 1 calc R U P E 1
H3C H 0.942269 -0.178618 -0.144475 0.065 Uiso 0.80(4) 1 calc R U P E 1
C193 C 0.5884(4) 1.1623(3) 0.8709(3) 0.0334(12) Uani 1 1 d . U . . .
C97 C 0.5535(4) 0.5125(3) 0.1318(3) 0.0289(11) Uani 1 1 d . U . . .
H97 H 0.498026 0.513573 0.133251 0.035 Uiso 1 1 calc R U . . .
C195 C 0.7998(4) 0.5071(3) 0.4494(3) 0.0415(14) Uani 1 1 d . U . . .
H195 H 0.782524 0.501803 0.413680 0.050 Uiso 1 1 calc R U . . .
C49 C 0.9018(7) 0.3329(6) 0.9491(6) 0.066(3) Uani 0.564(8) 1 d D U P A 1
H49A H 0.900031 0.365492 0.980212 0.099 Uiso 0.564(8) 1 calc R U P A 1
H49B H 0.939072 0.288582 0.954697 0.099 Uiso 0.564(8) 1 calc R U P A 1
H49C H 0.844699 0.332128 0.953425 0.099 Uiso 0.564(8) 1 calc R U P A 1
C197 C 0.2475(3) 1.0683(2) 0.8383(2) 0.0329(10) Uani 1 1 d . U . . .
H197 H 0.242540 1.030978 0.864055 0.040 Uiso 1 1 calc R U . . .
C99 C 0.0825(4) 0.5199(3) 0.2110(3) 0.0456(16) Uani 1 1 d . U . . .
H99 H 0.025751 0.529548 0.234404 0.055 Uiso 1 1 calc R U . . .
C199 C 0.5258(5) 0.4954(4) 0.4790(3) 0.0447(16) Uani 1 1 d . U . . .
H199 H 0.479965 0.533626 0.499741 0.054 Uiso 1 1 calc R U . . .
C25 C 0.0284(4) 0.6104(4) 0.1420(3) 0.0533(18) Uani 1 1 d . U . . .
C201 C 0.3290(6) 0.3111(5) 0.6759(4) 0.075(3) Uani 1 1 d . U . . .
H20O H 0.325722 0.305577 0.719441 0.113 Uiso 1 1 calc R U . . .
H20P H 0.317785 0.274504 0.657944 0.113 Uiso 1 1 calc R U . . .
H20Q H 0.286839 0.353677 0.671768 0.113 Uiso 1 1 calc R U . . .
C101 C 0.8608(4) -0.0572(3) -0.0292(3) 0.0480(15) Uani 1 1 d . U . . .
C203 C 0.6151(6) 0.1272(4) 0.4918(4) 0.063(2) Uani 1 1 d . U . . .
H203 H 0.581389 0.108432 0.475858 0.075 Uiso 1 1 calc R U . . .
C51 C 0.7148(3) 0.0148(3) 0.0134(2) 0.0308(11) Uani 1 1 d . U . . .
H51 H 0.657292 0.027472 0.012665 0.037 Uiso 1 1 calc R U . . .
C205 C 0.1223(4) 1.0606(3) 0.6607(3) 0.0397(13) Uani 1 1 d . U . . .
C103 C 0.9636(11) -0.1700(7) -0.0317(6) 0.088(4) Uani 0.80(4) 1 d D U P E 1
H10A H 1.009223 -0.207671 -0.057282 0.132 Uiso 0.80(4) 1 calc R U P E 1
H10B H 0.917497 -0.184949 -0.009919 0.132 Uiso 0.80(4) 1 calc R U P E 1
H10C H 0.985118 -0.152405 -0.001879 0.132 Uiso 0.80(4) 1 calc R U P E 1
C207 C 0.8278(7) -0.1286(6) 0.1743(6) 0.058(2) Uani 0.708(17) 1 d D U P F 1
H20D H 0.834780 -0.104424 0.136987 0.070 Uiso 0.708(17) 1 calc R U P F 1
H20E H 0.877125 -0.137808 0.191531 0.070 Uiso 0.708(17) 1 calc R U P F 1
C13 C 0.5788(4) 1.0972(3) 0.8527(3) 0.0283(11) Uani 1 1 d . U . . .
C209 C 0.6073(4) 0.4607(3) 0.1558(2) 0.0242(10) Uani 1 1 d . U . . .
C105 C 0.2992(3) 0.4009(2) 0.2124(3) 0.0250(10) Uani 1 1 d . U . . .
C211 C 0.4840(4) 0.9937(3) 0.6025(3) 0.0296(11) Uani 1 1 d . U . . .
C53 C 0.6723(6) 0.5323(3) 0.3131(3) 0.0548(19) Uani 1 1 d . U . . .
H53A H 0.691300 0.509800 0.271659 0.082 Uiso 1 1 calc R U . . .
H53B H 0.621877 0.523377 0.336212 0.082 Uiso 1 1 calc R U . . .
H53C H 0.717336 0.515495 0.333948 0.082 Uiso 1 1 calc R U . . .
C213 C 0.4268(6) 0.2990(4) 0.5748(4) 0.067(2) Uani 1 1 d . U . . .
H21C H 0.379769 0.332556 0.563423 0.101 Uiso 1 1 calc R U . . .
H21D H 0.426296 0.254412 0.565856 0.101 Uiso 1 1 calc R U . . .
H21E H 0.480402 0.302805 0.551340 0.101 Uiso 1 1 calc R U . . .
C107 C 1.0233(6) 0.4126(4) 0.1224(5) 0.071(2) Uani 1 1 d . U . . .
H10D H 0.989806 0.438588 0.161509 0.106 Uiso 1 1 calc R U . . .
H10E H 0.989739 0.422872 0.092394 0.106 Uiso 1 1 calc R U . . .
H10F H 1.074403 0.424125 0.107307 0.106 Uiso 1 1 calc R U . . .
C215 C 1.0331(7) 0.9107(6) 0.6098(6) 0.110(4) Uani 1 1 d . U . . .
H21F H 1.021752 0.913049 0.569343 0.165 Uiso 1 1 calc R U . . .
H21G H 1.085018 0.920308 0.607285 0.165 Uiso 1 1 calc R U . . .
H21H H 0.985697 0.943458 0.639340 0.165 Uiso 1 1 calc R U . . .
C217 C 0.0838(6) 1.1847(4) 0.6604(5) 0.072(2) Uani 1 1 d . U . . .
H21I H 0.080492 1.191160 0.704032 0.109 Uiso 1 1 calc R U . . .
H21J H 0.047120 1.225362 0.647800 0.109 Uiso 1 1 calc R U . . .
H21K H 0.142333 1.174983 0.636178 0.109 Uiso 1 1 calc R U . . .
C55 C 0.2582(7) 0.3481(5) -0.1403(4) 0.079(3) Uani 1 1 d . U . . .
H55A H 0.230228 0.373672 -0.169821 0.118 Uiso 1 1 calc R U . . .
H55B H 0.231338 0.315548 -0.124760 0.118 Uiso 1 1 calc R U . . .
H55C H 0.318127 0.324700 -0.160581 0.118 Uiso 1 1 calc R U . . .
C221 C 0.4324(6) 0.4534(4) 0.7347(3) 0.057(2) Uani 1 1 d . U . . .
H221 H 0.433888 0.462178 0.775464 0.068 Uiso 1 1 calc R U . . .
C111 C 0.2592(10) 0.6482(7) 0.4163(9) 0.059(3) Uani 0.452(7) 1 d D U P B 1
H11A H 0.230037 0.643592 0.458863 0.071 Uiso 0.452(7) 1 calc R U P B 1
H11B H 0.281482 0.685031 0.417228 0.071 Uiso 0.452(7) 1 calc R U P B 1
C223 C 0.5885(4) 0.4556(3) 0.8359(3) 0.0277(11) Uani 1 1 d . U . . .
C7 C -0.0182(5) 0.5544(4) 0.8906(5) 0.069(2) Uani 1 1 d . U . . .
H7A H -0.073189 0.548211 0.901460 0.103 Uiso 1 1 calc R U . . .
H7B H 0.005968 0.547106 0.925858 0.103 Uiso 1 1 calc R U . . .
H7C H 0.019966 0.522451 0.856009 0.103 Uiso 1 1 calc R U . . .
C225 C 0.7458(8) 0.0139(4) 0.6135(4) 0.080(3) Uani 1 1 d . U . . .
H22A H 0.758282 -0.013472 0.575354 0.120 Uiso 1 1 calc R U . . .
H22B H 0.686447 0.023971 0.635897 0.120 Uiso 1 1 calc R U . . .
H22C H 0.782341 -0.010373 0.638859 0.120 Uiso 1 1 calc R U . . .
C113 C 0.6212(4) -0.0841(3) 0.1035(3) 0.0374(13) Uani 1 1 d D U . . .
H113 H 0.621870 -0.110178 0.069369 0.045 Uiso 1 1 calc R U . . .
C227 C 0.5242(4) 0.4668(3) 0.4237(3) 0.0317(12) Uani 1 1 d . U . . .
C57 C 0.8540(4) 0.3380(3) 0.5694(3) 0.0468(14) Uani 1 1 d . U . . .
H57A H 0.910153 0.304406 0.564964 0.070 Uiso 1 1 calc R U . . .
H57B H 0.860091 0.379064 0.552838 0.070 Uiso 1 1 calc R U . . .
H57C H 0.822567 0.321234 0.546907 0.070 Uiso 1 1 calc R U . . .
C229 C 0.5616(5) 0.6298(3) 0.4176(3) 0.0360(14) Uani 1 1 d . U . . .
H229 H 0.539289 0.597707 0.407376 0.043 Uiso 1 1 calc R U . . .
C115 C 1.1041(5) 0.3207(5) 0.1764(5) 0.073(2) Uani 1 1 d . U . . .
H11C H 1.157491 0.327893 0.158166 0.109 Uiso 1 1 calc R U . . .
H11D H 1.115798 0.273976 0.185211 0.109 Uiso 1 1 calc R U . . .
H11E H 1.074624 0.349547 0.214629 0.109 Uiso 1 1 calc R U . . .
C231 C 0.3435(6) -0.1453(4) 0.5039(3) 0.056(2) Uani 1 1 d . U . . .
H23D H 0.400393 -0.147099 0.504060 0.084 Uiso 1 1 calc R U . . .
H23E H 0.333097 -0.184439 0.522066 0.084 Uiso 1 1 calc R U . . .
H23F H 0.301642 -0.104708 0.527855 0.084 Uiso 1 1 calc R U . . .
C29 C 0.2507(4) 1.1308(3) 0.8716(3) 0.0398(12) Uani 1 1 d . U . . .
C233 C 0.8321(4) 0.8378(3) 0.6104(3) 0.0351(13) Uani 1 1 d . U . . .
H233 H 0.794085 0.858552 0.586609 0.042 Uiso 1 1 calc R U . . .
C235 C 0.3380(11) 0.5492(8) 0.3347(10) 0.061(3) Uani 0.452(7) 1 d D U P B 1
C59 C 0.1746(12) 0.6036(9) 0.3632(12) 0.072(3) Uani 0.452(7) 1 d D U P B 1
C239 C -0.0597(4) 0.6133(4) 0.1788(4) 0.0511(17) Uani 1 1 d . U . . .
H23G H -0.065530 0.569707 0.173848 0.077 Uiso 1 1 calc R U . . .
H23H H -0.102751 0.647176 0.163843 0.077 Uiso 1 1 calc R U . . .
H23I H -0.067166 0.624760 0.222284 0.077 Uiso 1 1 calc R U . . .
C348 C 0.8683(4) 0.0037(3) 0.2743(3) 0.0352(12) Uani 1 1 d . U . . .
H348 H 0.878662 0.021527 0.235708 0.042 Uiso 1 1 calc R U . . .
C241 C 1.0186(6) 0.3639(6) 0.8819(6) 0.056(3) Uani 0.564(8) 1 d D U P A 1
H24G H 1.041468 0.374585 0.840471 0.084 Uiso 0.564(8) 1 calc R U P A 1
H24H H 1.059281 0.323404 0.891513 0.084 Uiso 0.564(8) 1 calc R U P A 1
H24I H 1.008192 0.400968 0.911557 0.084 Uiso 0.564(8) 1 calc R U P A 1
C121 C 0.9438(5) 0.7789(5) 0.6784(4) 0.074(3) Uani 1 1 d . U . . .
H121 H 0.981921 0.757756 0.702014 0.088 Uiso 1 1 calc R U . . .
C243 C 0.1325(4) 1.0061(3) 1.0562(3) 0.0314(11) Uani 1 1 d . U . . .
C61 C -0.0913(5) 0.1879(5) 0.4367(4) 0.067(2) Uani 1 1 d . U . . .
H61A H -0.142235 0.176319 0.451989 0.100 Uiso 1 1 calc R U . . .
H61B H -0.107448 0.235994 0.432994 0.100 Uiso 1 1 calc R U . . .
H61C H -0.055825 0.175327 0.465403 0.100 Uiso 1 1 calc R U . . .
C245 C 0.6808(4) 0.3716(3) 0.7547(3) 0.0347(12) Uani 1 1 d . U . . .
C123 C 0.1024(4) 1.0209(3) 0.7063(3) 0.0380(13) Uani 1 1 d . U . . .
H123 H 0.045874 1.032777 0.730950 0.046 Uiso 1 1 calc R U . . .
C247 C 0.9519(10) 0.2943(6) 0.8389(9) 0.069(4) Uani 0.564(8) 1 d D U P A 1
H24J H 0.898677 0.287196 0.840703 0.103 Uiso 0.564(8) 1 calc R U P A 1
H24K H 0.992182 0.253792 0.848893 0.103 Uiso 0.564(8) 1 calc R U P A 1
H24L H 0.975475 0.304773 0.797543 0.103 Uiso 0.564(8) 1 calc R U P A 1
C31 C 0.5809(7) 0.6351(5) 0.2769(4) 0.076(3) Uani 1 1 d . U . . .
H31I H 0.574763 0.681353 0.268466 0.115 Uiso 1 1 calc R U . . .
H31J H 0.527623 0.633677 0.303276 0.115 Uiso 1 1 calc R U . . .
H31K H 0.595401 0.608074 0.238229 0.115 Uiso 1 1 calc R U . . .
C125 C 0.0920(5) 0.1360(4) 0.2924(3) 0.0468(16) Uani 1 1 d . U . . .
H125 H 0.077240 0.105767 0.270659 0.056 Uiso 1 1 calc R U . . .
C251 C 0.7471(8) -0.1778(5) 0.1221(6) 0.055(3) Uani 0.708(17) 1 d D U P F 1
H25A H 0.782104 -0.183705 0.079226 0.066 Uiso 0.708(17) 1 calc R U P F 1
H25B H 0.718234 -0.211033 0.127057 0.066 Uiso 0.708(17) 1 calc R U P F 1
C63 C 0.0397(4) 0.1654(3) 0.3494(3) 0.0374(13) Uani 1 1 d . U . . .
C253 C 0.7431(7) -0.0967(5) 0.2213(6) 0.049(2) Uani 0.708(17) 1 d D U P F 1
H253 H 0.741807 -0.066779 0.255667 0.059 Uiso 0.708(17) 1 calc R U P F 1
C127 C 0.0750(5) 1.0112(4) 1.1703(3) 0.0524(17) Uani 1 1 d . U . . .
H12A H 0.032573 1.038634 1.206144 0.079 Uiso 1 1 calc R U . . .
H12B H 0.131274 0.999068 1.177323 0.079 Uiso 1 1 calc R U . . .
H12C H 0.062738 0.970704 1.163571 0.079 Uiso 1 1 calc R U . . .
C255 C 0.1136(9) 0.6202(7) 0.6281(6) 0.057(3) Uani 0.529(5) 1 d D U P C 1
H25C H 0.117062 0.593346 0.663205 0.086 Uiso 0.529(5) 1 calc R U P C 1
H25D H 0.075629 0.665989 0.642404 0.086 Uiso 0.529(5) 1 calc R U P C 1
H25E H 0.170000 0.620471 0.607079 0.086 Uiso 0.529(5) 1 calc R U P C 1
C2 C 0.8037(8) -0.1886(5) 0.1664(6) 0.055(2) Uani 0.708(17) 1 d D U P F 1
H2 H 0.851511 -0.232276 0.158844 0.067 Uiso 0.708(17) 1 calc R U P F 1
C257 C 0.2033(4) 1.0405(3) 0.6245(3) 0.0384(13) Uani 1 1 d . U . . .
H257 H 0.217594 1.067250 0.592849 0.046 Uiso 1 1 calc R U . . .
C129 C 0.9456(4) 0.2773(4) 0.1275(3) 0.0451(15) Uani 1 1 d . U . . .
H129 H 0.978964 0.257997 0.087539 0.054 Uiso 1 1 calc R U . . .
C65 C 0.2460(15) 0.6550(8) 0.3094(11) 0.075(3) Uani 0.452(7) 1 d D U P B 1
H65A H 0.210665 0.677777 0.282171 0.090 Uiso 0.452(7) 1 calc R U P B 1
H65B H 0.298192 0.666259 0.301803 0.090 Uiso 0.452(7) 1 calc R U P B 1
C261 C 0.5817(4) 0.5627(3) 0.1057(3) 0.0339(12) Uani 1 1 d . U . . .
H261 H 0.544314 0.598438 0.090361 0.041 Uiso 1 1 calc R U . . .
C131 C 0.2616(11) 0.5810(7) 0.3096(10) 0.071(3) Uani 0.452(7) 1 d D U P B 1
H131 H 0.261346 0.558365 0.271113 0.085 Uiso 0.452(7) 1 calc R U P B 1
C263 C 0.4229(4) 0.0048(3) 0.0114(3) 0.0360(13) Uani 1 1 d . U . . .
H263 H 0.420751 -0.015774 -0.024975 0.043 Uiso 1 1 calc R U . . .
C33 C 0.1956(4) 1.1438(4) 0.9378(3) 0.0522(15) Uani 1 1 d . U . . .
H33J H 0.137421 1.148926 0.938001 0.078 Uiso 1 1 calc R U . . .
H33K H 0.196347 1.184661 0.956694 0.078 Uiso 1 1 calc R U . . .
H33L H 0.217778 1.106142 0.960990 0.078 Uiso 1 1 calc R U . . .
C265 C 0.9219(5) 0.3736(3) 0.3828(3) 0.0460(15) Uani 1 1 d . U . . .
H26A H 0.918629 0.350641 0.420493 0.069 Uiso 1 1 calc R U . . .
H26B H 0.964115 0.342936 0.348694 0.069 Uiso 1 1 calc R U . . .
H26C H 0.866624 0.388339 0.373795 0.069 Uiso 1 1 calc R U . . .
C133 C 0.3579(4) 0.0621(3) 0.0400(3) 0.0347(12) Uani 1 1 d . U . . .
H133 H 0.309706 0.081290 0.024811 0.042 Uiso 1 1 calc R U . . .
C267 C 0.0547(5) 1.1257(3) 0.6499(4) 0.0558(17) Uani 1 1 d . U . . .
C67 C 0.6897(4) 0.3361(3) 0.6344(3) 0.0386(13) Uani 1 1 d . U . . .
H67A H 0.634599 0.336161 0.660268 0.046 Uiso 1 1 calc R U . . .
H67B H 0.696656 0.324246 0.590578 0.046 Uiso 1 1 calc R U . . .
C269 C 0.3715(3) 0.9864(3) 0.7589(2) 0.0282(11) Uani 1 1 d . U . . .
H269 H 0.371749 0.952415 0.786289 0.034 Uiso 1 1 calc R U . . .
C135 C 0.7117(3) 0.3996(2) 0.6467(2) 0.0330(10) Uani 1 1 d . U . . .
H135 H 0.700822 0.435154 0.617805 0.040 Uiso 1 1 calc R U . . .
C271 C 0.1094(4) 0.9990(3) 1.0032(3) 0.0337(12) Uani 1 1 d . U . . .
H271 H 0.052891 1.022307 1.001834 0.040 Uiso 1 1 calc R U . . .
C17 C 0.2014(4) 1.1717(3) 0.8268(3) 0.0423(12) Uani 1 1 d . U . . .
H17 H 0.158588 1.216316 0.844363 0.051 Uiso 1 1 calc R U . . .
C273 C 0.7336(8) 0.5017(6) 0.8893(6) 0.035(2) Uani 0.564(8) 1 d D U P A 1
H273 H 0.679053 0.523708 0.915873 0.042 Uiso 0.564(8) 1 calc R U P A 1
C137 C 0.6508(5) 0.6077(3) 0.3091(3) 0.0413(15) Uani 1 1 d . U . . .
C275 C 0.9305(4) -0.1152(4) -0.0723(4) 0.065(2) Uani 1 1 d D U . . .
C69 C -0.0317(5) 1.1383(4) 0.6922(5) 0.079(2) Uani 1 1 d . U . . .
H69A H -0.048915 1.099708 0.688253 0.118 Uiso 1 1 calc R U . . .
H69B H -0.072241 1.177970 0.681261 0.118 Uiso 1 1 calc R U . . .
H69C H -0.030172 1.145542 0.734593 0.118 Uiso 1 1 calc R U . . .
C277 C 0.1646(4) 0.9634(3) 0.7167(3) 0.0326(12) Uani 1 1 d . U . . .
H277 H 0.150489 0.938150 0.749763 0.039 Uiso 1 1 calc R U . . .
C139 C 0.6665(9) -0.1833(5) 0.2568(6) 0.061(3) Uani 0.708(17) 1 d D U P F 1
H13A H 0.640146 -0.166711 0.300007 0.091 Uiso 0.708(17) 1 calc R U P F 1
H13B H 0.678109 -0.231440 0.252278 0.091 Uiso 0.708(17) 1 calc R U P F 1
H13C H 0.628186 -0.160660 0.232030 0.091 Uiso 0.708(17) 1 calc R U P F 1
C279 C 0.4455(3) 0.5647(3) 0.7103(3) 0.0249(10) Uani 1 1 d . U . . .
C35 C 0.0722(4) 1.0511(3) 1.1133(3) 0.0360(12) Uani 1 1 d . U . . .
C281 C 0.4107(4) 0.7303(3) 1.0623(3) 0.0366(13) Uani 1 1 d . U . . .
H281 H 0.396599 0.692968 1.052862 0.044 Uiso 1 1 calc R U . . .
C141 C 0.6720(3) 0.4206(2) 0.7135(2) 0.0302(10) Uani 1 1 d . U . . .
C283 C 0.3199(5) 0.8182(5) 1.2481(3) 0.073(2) Uani 1 1 d . U . . .
H28G H 0.350996 0.770454 1.247901 0.109 Uiso 1 1 calc R U . . .
H28H H 0.267532 0.824134 1.236355 0.109 Uiso 1 1 calc R U . . .
H28I H 0.306173 0.839875 1.289360 0.109 Uiso 1 1 calc R U . . .
C71 C -0.0188(4) 1.0757(4) 1.1088(3) 0.0537(18) Uani 1 1 d . U . . .
H71A H -0.054894 1.106767 1.144592 0.081 Uiso 1 1 calc R U . . .
H71B H -0.038007 1.037718 1.107674 0.081 Uiso 1 1 calc R U . . .
H71C H -0.022073 1.098597 1.071355 0.081 Uiso 1 1 calc R U . . .
C285 C 0.3844(4) 0.7594(4) 1.1217(3) 0.0438(15) Uani 1 1 d . U . . .
H285 H 0.352400 0.741120 1.152651 0.053 Uiso 1 1 calc R U . . .
C143 C 0.1599(6) 0.4267(5) -0.0496(4) 0.083(3) Uani 1 1 d . U . . .
H14A H 0.156754 0.459441 -0.018107 0.125 Uiso 1 1 calc R U . . .
H14B H 0.139824 0.392047 -0.029825 0.125 Uiso 1 1 calc R U . . .
H14C H 0.124358 0.448889 -0.076328 0.125 Uiso 1 1 calc R U . . .
C287 C 0.0359(7) 0.6012(6) 0.0753(4) 0.098(4) Uani 1 1 d . U . . .
H28A H 0.092984 0.597545 0.051833 0.147 Uiso 1 1 calc R U . . .
H28B H -0.005613 0.639547 0.063557 0.147 Uiso 1 1 calc R U . . .
H28C H 0.025227 0.560428 0.066707 0.147 Uiso 1 1 calc R U . . .
C9 C 0.6816(4) -0.1075(3) 0.1358(3) 0.0457(14) Uani 1 1 d . U . . .
C289 C 0.9952(18) -0.1938(9) 0.3354(16) 0.066(5) Uani 0.41(3) 1 d D U P D 1
H28D H 1.031088 -0.231409 0.352356 0.099 Uiso 0.41(3) 1 calc R U P D 1
H28E H 1.017480 -0.197361 0.290778 0.099 Uiso 0.41(3) 1 calc R U P D 1
H28F H 0.937442 -0.194546 0.345594 0.099 Uiso 0.41(3) 1 calc R U P D 1
C145 C 0.5143(4) 1.2223(3) 0.8604(3) 0.0417(13) Uani 1 1 d . U . . .
H14D H 0.517487 1.222741 0.816518 0.063 Uiso 1 1 calc R U . . .
H14E H 0.518230 1.263835 0.875201 0.063 Uiso 1 1 calc R U . . .
H14F H 0.460470 1.218228 0.882848 0.063 Uiso 1 1 calc R U . . .
C291 C 0.7503(8) -0.1694(4) 0.2349(6) 0.052(2) Uani 0.708(17) 1 d D U P F 1
C73 C 0.0425(12) 0.6447(7) 0.5409(7) 0.080(4) Uani 0.529(5) 1 d D U P C 1
H73A H 0.088832 0.656193 0.514455 0.120 Uiso 0.529(5) 1 calc R U P C 1
H73B H 0.001494 0.684426 0.566632 0.120 Uiso 0.529(5) 1 calc R U P C 1
H73C H 0.014482 0.627708 0.515440 0.120 Uiso 0.529(5) 1 calc R U P C 1
C293 C 0.0510(7) 1.1210(5) 0.5825(4) 0.089(3) Uani 1 1 d . U . . .
H29J H 0.107359 1.113014 0.555073 0.134 Uiso 1 1 calc R U . . .
H29K H 0.011348 1.162823 0.574091 0.134 Uiso 1 1 calc R U . . .
H29L H 0.031860 1.084107 0.575521 0.134 Uiso 1 1 calc R U . . .
C147 C 0.7488(4) 0.2698(3) 0.2406(3) 0.0257(10) Uani 1 1 d . U . . .
C295 C 0.3980(5) -0.2125(3) 0.4015(3) 0.0447(15) Uani 1 1 d . U . . .
H29D H 0.391699 -0.214033 0.359659 0.067 Uiso 1 1 calc R U . . .
H29E H 0.385053 -0.249466 0.422363 0.067 Uiso 1 1 calc R U . . .
H29F H 0.456273 -0.216478 0.399829 0.067 Uiso 1 1 calc R U . . .
C37 C 0.4062(5) 0.4893(3) 0.3073(3) 0.0443(15) Uani 1 1 d D U . . .
H37 H 0.411609 0.469776 0.268086 0.053 Uiso 0.452(7) 1 calc R U P B 1
H37A H 0.403662 0.460545 0.276438 0.053 Uiso 0.548(7) 1 calc R U P B 2
C297 C 0.8003(9) -0.1963(6) 0.2821(7) 0.067(3) Uani 0.708(17) 1 d D U P F 1
H29G H 0.845294 -0.177340 0.277730 0.101 Uiso 0.708(17) 1 calc R U P F 1
H29H H 0.825394 -0.244978 0.275201 0.101 Uiso 0.708(17) 1 calc R U P F 1
H29I H 0.762293 -0.183770 0.323506 0.101 Uiso 0.708(17) 1 calc R U P F 1
C299 C 0.1976(11) 0.6638(7) 0.3770(9) 0.070(3) Uani 0.452(7) 1 d D U P B 1
H299 H 0.148603 0.706486 0.389999 0.084 Uiso 0.452(7) 1 calc R U P B 1
C301 C 0.0102(10) 0.5641(9) 0.6223(8) 0.080(4) Uani 0.529(5) 1 d D U P C 1
H30A H -0.005468 0.536915 0.595898 0.119 Uiso 0.529(5) 1 calc R U P C 1
H30B H -0.039813 0.602211 0.642619 0.119 Uiso 0.529(5) 1 calc R U P C 1
H30C H 0.032907 0.537096 0.653238 0.119 Uiso 0.529(5) 1 calc R U P C 1
C151 C 0.1601(11) 0.5559(9) 0.4190(11) 0.089(6) Uani 0.452(7) 1 d D U P B 1
H15A H 0.149058 0.517836 0.403738 0.134 Uiso 0.452(7) 1 calc R U P B 1
H15B H 0.111716 0.581666 0.452482 0.134 Uiso 0.452(7) 1 calc R U P B 1
H15C H 0.210913 0.539830 0.434017 0.134 Uiso 0.452(7) 1 calc R U P B 1
C303 C 0.0933(11) 0.6236(9) 0.3455(12) 0.092(4) Uani 0.452(7) 1 d D U P B 1
H30D H 0.097183 0.649579 0.309736 0.138 Uiso 0.452(7) 1 calc R U P B 1
H30E H 0.047305 0.650702 0.379791 0.138 Uiso 0.452(7) 1 calc R U P B 1
H30F H 0.081902 0.583608 0.335376 0.138 Uiso 0.452(7) 1 calc R U P B 1
C153 C 0.2889(5) 0.4044(5) 0.4729(3) 0.042(3) Uani 0.471(5) 1 d DG U P C 2
C307 C 0.2061(5) 0.4053(5) 0.4912(4) 0.048(2) Uani 0.471(5) 1 d DG U P C 2
H307 H 0.186502 0.381466 0.466453 0.057 Uiso 0.471(5) 1 calc R U P C 2
C77 C 0.1520(4) 0.4410(5) 0.5456(4) 0.058(3) Uani 0.471(5) 1 d DG U P C 2
H77 H 0.095381 0.441580 0.558096 0.070 Uiso 0.471(5) 1 calc R U P C 2
C309 C 0.1806(5) 0.4758(5) 0.5817(3) 0.057(2) Uani 0.471(5) 1 d DG U P C 2
C155 C 0.2634(5) 0.4750(5) 0.5635(4) 0.048(2) Uani 0.471(5) 1 d DG U P C 2
H155 H 0.283001 0.498804 0.588157 0.058 Uiso 0.471(5) 1 calc R U P C 2
C311 C 0.3175(4) 0.4393(5) 0.5090(4) 0.044(3) Uani 0.471(5) 1 d DG U P C 2
H311 H 0.374123 0.438690 0.496514 0.053 Uiso 0.471(5) 1 calc R U P C 2
C39 C 0.1404(16) 0.5794(9) 0.6552(9) 0.106(5) Uani 0.471(5) 1 d D U P C 2
H39A H 0.198767 0.573391 0.632755 0.159 Uiso 0.471(5) 1 calc R U P C 2
H39B H 0.132591 0.589866 0.698946 0.159 Uiso 0.471(5) 1 calc R U P C 2
H39C H 0.101394 0.616146 0.639598 0.159 Uiso 0.471(5) 1 calc R U P C 2
C313 C 0.1218(7) 0.5128(6) 0.6460(5) 0.074(3) Uani 0.471(5) 1 d D U P C 2
C157 C 0.0263(8) 0.5304(13) 0.6459(9) 0.098(5) Uani 0.471(5) 1 d D U P C 2
H15D H 0.013806 0.560650 0.614056 0.147 Uiso 0.471(5) 1 calc R U P C 2
H15E H -0.010312 0.552041 0.685984 0.147 Uiso 0.471(5) 1 calc R U P C 2
H15F H 0.015998 0.489409 0.637407 0.147 Uiso 0.471(5) 1 calc R U P C 2
C315 C 0.1356(13) 0.4703(9) 0.7033(7) 0.112(6) Uani 0.471(5) 1 d D U P C 2
H31D H 0.194513 0.458460 0.704941 0.168 Uiso 0.471(5) 1 calc R U P C 2
H31E H 0.097998 0.496885 0.741250 0.168 Uiso 0.471(5) 1 calc R U P C 2
H31F H 0.122774 0.429608 0.698948 0.168 Uiso 0.471(5) 1 calc R U P C 2
C79 C 0.3527(9) 0.5539(6) 0.3137(7) 0.055(3) Uani 0.548(7) 1 d D U P B 2
C317 C 0.3451(9) 0.5919(6) 0.3665(8) 0.058(3) Uani 0.548(7) 1 d D U P B 2
C159 C 0.2817(9) 0.6631(6) 0.3746(8) 0.068(3) Uani 0.548(7) 1 d D U P B 2
H15G H 0.237483 0.669398 0.413618 0.081 Uiso 0.548(7) 1 calc R U P B 2
H15H H 0.311111 0.695019 0.376973 0.081 Uiso 0.548(7) 1 calc R U P B 2
C319 C 0.3053(10) 0.6537(6) 0.2621(9) 0.074(3) Uani 0.548(7) 1 d D U P B 2
H31G H 0.361175 0.656057 0.261844 0.089 Uiso 0.548(7) 1 calc R U P B 2
H31H H 0.286175 0.674426 0.226612 0.089 Uiso 0.548(7) 1 calc R U P B 2
C5 C 0.2998(8) 0.5845(5) 0.2702(8) 0.060(2) Uani 0.548(7) 1 d D U P B 2
H5 H 0.307966 0.556333 0.232390 0.072 Uiso 0.548(7) 1 calc R U P B 2
C321 C 0.2052(9) 0.6231(6) 0.3091(8) 0.066(2) Uani 0.548(7) 1 d D U P B 2
C161 C 0.2404(11) 0.6778(6) 0.3222(9) 0.073(3) Uani 0.548(7) 1 d D U P B 2
H161 H 0.200505 0.724512 0.324364 0.087 Uiso 0.548(7) 1 calc R U P B 2
C323 C 0.1437(9) 0.6444(6) 0.2710(9) 0.081(4) Uani 0.548(7) 1 d D U P B 2
H32J H 0.169641 0.660076 0.232956 0.121 Uiso 0.548(7) 1 calc R U P B 2
H32K H 0.093045 0.680578 0.293857 0.121 Uiso 0.548(7) 1 calc R U P B 2
H32L H 0.127923 0.606562 0.261171 0.121 Uiso 0.548(7) 1 calc R U P B 2
C81 C 0.1698(12) 0.5838(9) 0.3659(11) 0.078(4) Uani 0.548(7) 1 d D U P B 2
H81A H 0.143539 0.555033 0.351337 0.117 Uiso 0.548(7) 1 calc R U P B 2
H81B H 0.127701 0.616324 0.398627 0.117 Uiso 0.548(7) 1 calc R U P B 2
H81C H 0.216802 0.556549 0.381634 0.117 Uiso 0.548(7) 1 calc R U P B 2
C325 C 0.3959(17) 0.5614(11) 0.4050(13) 0.054(3) Uani 0.548(7) 1 d D U P B 2
H325 H 0.387811 0.585370 0.442644 0.065 Uiso 0.548(7) 1 calc R U P B 2
C163 C 0.7659(14) 0.5287(18) 0.8274(18) 0.032(3) Uani 0.436(8) 1 d D U P A 2
C327 C 0.8438(12) 0.5103(10) 0.7852(11) 0.034(3) Uani 0.436(8) 1 d D U P A 2
H327 H 0.854426 0.537995 0.753459 0.041 Uiso 0.436(8) 1 calc R U P A 2
C41 C 0.9071(10) 0.4505(7) 0.7895(8) 0.035(2) Uani 0.436(8) 1 d D U P A 2
H41 H 0.960808 0.438306 0.760461 0.043 Uiso 0.436(8) 1 calc R U P A 2
C329 C 0.8935(8) 0.4093(6) 0.8345(8) 0.039(2) Uani 0.436(8) 1 d D U P A 2
C165 C 0.8106(9) 0.4287(7) 0.8769(8) 0.038(2) Uani 0.436(8) 1 d D U P A 2
H165 H 0.799670 0.402191 0.909673 0.045 Uiso 0.436(8) 1 calc R U P A 2
C331 C 0.7470(11) 0.4857(7) 0.8702(8) 0.034(3) Uani 0.436(8) 1 d D U P A 2
H331 H 0.690769 0.495374 0.894715 0.041 Uiso 0.436(8) 1 calc R U P A 2
C83 C 0.9250(14) 0.2864(8) 0.8344(11) 0.059(4) Uani 0.436(8) 1 d D U P A 2
H83A H 0.877387 0.289775 0.869822 0.089 Uiso 0.436(8) 1 calc R U P A 2
H83B H 0.969894 0.243165 0.831908 0.089 Uiso 0.436(8) 1 calc R U P A 2
H83C H 0.905846 0.290187 0.796845 0.089 Uiso 0.436(8) 1 calc R U P A 2
C333 C 0.9590(7) 0.3427(6) 0.8417(6) 0.050(3) Uani 0.436(8) 1 d D U P A 2
C167 C 1.0429(8) 0.3293(8) 0.7928(8) 0.071(5) Uani 0.436(8) 1 d D U P A 2
H16G H 1.032985 0.330104 0.751948 0.106 Uiso 0.436(8) 1 calc R U P A 2
H16H H 1.082756 0.285539 0.796827 0.106 Uiso 0.436(8) 1 calc R U P A 2
H16I H 1.066507 0.363853 0.798392 0.106 Uiso 0.436(8) 1 calc R U P A 2
C335 C 0.9715(13) 0.3436(10) 0.9060(7) 0.070(4) Uani 0.436(8) 1 d D U P A 2
H33M H 1.007312 0.369960 0.908203 0.105 Uiso 0.436(8) 1 calc R U P A 2
H33N H 0.998740 0.297894 0.915346 0.105 Uiso 0.436(8) 1 calc R U P A 2
H33O H 0.916439 0.363563 0.935845 0.105 Uiso 0.436(8) 1 calc R U P A 2
C21 C 0.8353(15) -0.1100(13) 0.1590(14) 0.054(3) Uani 0.292(17) 1 d D U P F 2
H21A H 0.886342 -0.114455 0.172908 0.064 Uiso 0.292(17) 1 calc R U P F 2
H21B H 0.831341 -0.080602 0.125055 0.064 Uiso 0.292(17) 1 calc R U P F 2
C337 C 0.7559(13) -0.0910(11) 0.2101(13) 0.051(3) Uani 0.292(17) 1 d D U P F 2
H337 H 0.754112 -0.063034 0.246064 0.061 Uiso 0.292(17) 1 calc R U P F 2
C169 C 0.7846(18) -0.1674(11) 0.2152(12) 0.057(3) Uani 0.292(17) 1 d D U P F 2
C339 C 0.840(2) -0.1893(13) 0.2587(14) 0.061(5) Uani 0.292(17) 1 d D U P F 2
H33D H 0.868603 -0.157230 0.261049 0.092 Uiso 0.292(17) 1 calc R U P F 2
H33E H 0.882490 -0.233432 0.243676 0.092 Uiso 0.292(17) 1 calc R U P F 2
H33F H 0.805247 -0.191406 0.299534 0.092 Uiso 0.292(17) 1 calc R U P F 2
C85 C 0.711(2) -0.1960(13) 0.2338(16) 0.063(5) Uani 0.292(17) 1 d D U P F 2
H85A H 0.672390 -0.173052 0.272850 0.094 Uiso 0.292(17) 1 calc R U P F 2
H85B H 0.734753 -0.243801 0.238313 0.094 Uiso 0.292(17) 1 calc R U P F 2
H85C H 0.680737 -0.189113 0.201992 0.094 Uiso 0.292(17) 1 calc R U P F 2
C341 C 0.8272(16) -0.1757(12) 0.1450(13) 0.056(3) Uani 0.292(17) 1 d D U P F 2
H341 H 0.881422 -0.214054 0.130232 0.067 Uiso 0.292(17) 1 calc R U P F 2
C171 C 0.7614(17) -0.1670(13) 0.1080(14) 0.053(4) Uani 0.292(17) 1 d D U P F 2
H17D H 0.785843 -0.160174 0.065048 0.064 Uiso 0.292(17) 1 calc R U P F 2
H17E H 0.746805 -0.207911 0.107934 0.064 Uiso 0.292(17) 1 calc R U P F 2
C43 C 0.976(3) -0.084(2) -0.122(2) 0.078(9) Uani 0.20(4) 1 d D U P E 2
H43A H 1.011805 -0.118122 -0.156179 0.117 Uiso 0.20(4) 1 calc R U P E 2
H43B H 1.011899 -0.065258 -0.106376 0.117 Uiso 0.20(4) 1 calc R U P E 2
H43C H 0.935059 -0.048613 -0.137558 0.117 Uiso 0.20(4) 1 calc R U P E 2
C345 C 0.893(3) -0.158(2) -0.101(3) 0.063(7) Uani 0.20(4) 1 d D U P E 2
H34A H 0.854005 -0.130618 -0.122582 0.094 Uiso 0.20(4) 1 calc R U P E 2
H34B H 0.863183 -0.178614 -0.068236 0.094 Uiso 0.20(4) 1 calc R U P E 2
H34C H 0.938971 -0.193235 -0.129314 0.094 Uiso 0.20(4) 1 calc R U P E 2
C173 C 0.993(3) -0.159(2) -0.040(2) 0.072(7) Uani 0.20(4) 1 d D U P E 2
H17F H 1.039466 -0.191937 -0.070671 0.108 Uiso 0.20(4) 1 calc R U P E 2
H17G H 0.965049 -0.181652 -0.009365 0.108 Uiso 0.20(4) 1 calc R U P E 2
H17H H 1.016410 -0.131154 -0.020778 0.108 Uiso 0.20(4) 1 calc R U P E 2
C74 C 1.0809(10) -0.1342(12) 0.3219(11) 0.061(5) Uani 0.59(3) 1 d D U P D 2
H74A H 1.088966 -0.091004 0.320594 0.091 Uiso 0.59(3) 1 calc R U P D 2
H74B H 1.084519 -0.150575 0.280557 0.091 Uiso 0.59(3) 1 calc R U P D 2
H74C H 1.124845 -0.166198 0.337657 0.091 Uiso 0.59(3) 1 calc R U P D 2
C1A C 0.9987(11) -0.1046(9) 0.4286(6) 0.068(4) Uani 0.59(3) 1 d D U P D 2
H1AA H 0.943534 -0.095832 0.457922 0.103 Uiso 0.59(3) 1 calc R U P D 2
H1AB H 1.013355 -0.064068 0.426438 0.103 Uiso 0.59(3) 1 calc R U P D 2
H1AC H 1.041788 -0.140314 0.441888 0.103 Uiso 0.59(3) 1 calc R U P D 2
C1B C 0.9809(13) -0.1936(7) 0.3666(13) 0.075(4) Uani 0.59(3) 1 d D U P D 2
H1BA H 1.025852 -0.226135 0.380963 0.113 Uiso 0.59(3) 1 calc R U P D 2
H1BB H 0.982031 -0.209359 0.325663 0.113 Uiso 0.59(3) 1 calc R U P D 2
H1BC H 0.925954 -0.188180 0.395011 0.113 Uiso 0.59(3) 1 calc R U P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Ti1 3.7703(9) . ?
Eu1 Ti8 3.7098(10) . ?
Eu1 Ti2 3.8114(10) . ?
Eu1 Ti7 3.7398(10) . ?
Eu1 O52 2.424(4) . ?
Eu1 O13 2.402(4) . ?
Eu1 O2 2.396(4) . ?
Eu1 O17 2.409(4) . ?
Eu1 N4 2.584(4) . ?
Eu1 O47 2.364(3) . ?
Eu1 N8 2.556(4) . ?
Eu1 O25 2.336(3) . ?
Eu4 Ti4 3.7590(10) . ?
Eu4 Ti6 3.7894(10) . ?
Eu4 Ti5 3.7368(9) . ?
Eu4 Ti3 3.8108(10) . ?
Eu4 O24 2.399(3) . ?
Eu4 O34 2.396(4) . ?
Eu4 O40 2.442(4) . ?
Eu4 O15 2.339(3) . ?
Eu4 O33 2.466(4) . ?
Eu4 O37 2.381(4) . ?
Eu4 N14 2.572(5) . ?
Eu4 N16 2.628(5) . ?
Eu2 Ti4 3.8052(10) . ?
Eu2 Ti6 3.7529(9) . ?
Eu2 Ti5 3.7806(10) . ?
Eu2 Ti3 3.7523(10) . ?
Eu2 O10 2.451(4) . ?
Eu2 O36 2.351(3) . ?
Eu2 O46 2.377(4) . ?
Eu2 O27 2.384(4) . ?
Eu2 O31 2.427(4) . ?
Eu2 O35 2.368(4) . ?
Eu2 N1 2.619(4) . ?
Eu2 N6 2.552(4) . ?
Eu3 Ti1 3.7457(10) . ?
Eu3 Ti8 3.8089(10) . ?
Eu3 Ti2 3.7016(10) . ?
Eu3 Ti7 3.7544(9) . ?
Eu3 O1 2.373(3) . ?
Eu3 O8 2.329(3) . ?
Eu3 O32 2.410(4) . ?
Eu3 O39 2.408(4) . ?
Eu3 O41 2.421(4) . ?
Eu3 O21 2.401(4) . ?
Eu3 N12 2.555(5) . ?
Eu3 N9 2.583(5) . ?
Ti1 Ti8 2.8478(14) . ?
Ti1 O1 1.905(4) . ?
Ti1 O4 2.063(3) . ?
Ti1 O12 1.809(4) . ?
Ti1 O26 2.102(4) . ?
Ti1 O42 2.030(4) . ?
Ti1 O25 1.888(3) . ?
Ti4 Ti5 2.8601(14) . ?
Ti4 O14 2.095(4) . ?
Ti4 O28 2.046(4) . ?
Ti4 O38 2.038(4) . ?
Ti4 O27 1.911(3) . ?
Ti4 O29 1.811(4) . ?
Ti4 O15 1.883(4) . ?
Ti6 Ti3 2.8553(14) . ?
Ti6 O6 2.051(3) . ?
Ti6 O16 2.010(4) . ?
Ti6 O24 1.915(4) . ?
Ti6 O36 1.884(4) . ?
Ti6 O50 2.091(4) . ?
Ti6 O29 1.807(4) . ?
Ti8 O1 1.921(3) . ?
Ti8 O20 2.013(3) . ?
Ti8 O5 1.837(4) . ?
Ti8 O23 2.028(4) . ?
Ti8 O3 2.116(4) . ?
Ti8 O25 1.870(4) . ?
Ti2 Ti7 2.8558(14) . ?
Ti2 O8 1.870(4) . ?
Ti2 O12 1.820(4) . ?
Ti2 O18 2.105(4) . ?
Ti2 O22 2.011(4) . ?
Ti2 O43 2.037(4) . ?
Ti2 O47 1.919(3) . ?
Ti5 O30 2.112(4) . ?
Ti5 O44 1.799(4) . ?
Ti5 O27 1.912(4) . ?
Ti5 O7 2.008(4) . ?
Ti5 O15 1.890(3) . ?
Ti5 O49 2.052(3) . ?
Ti3 O24 1.906(3) . ?
Ti3 O36 1.876(4) . ?
Ti3 O44 1.820(4) . ?
Ti3 O48 2.033(4) . ?
Ti3 O9 2.033(4) . ?
Ti3 O45 2.121(4) . ?
Ti7 O8 1.889(4) . ?
Ti7 O19 2.110(4) . ?
Ti7 O5 1.801(4) . ?
Ti7 O11 2.012(4) . ?
Ti7 O47 1.912(4) . ?
Ti7 O51 2.061(4) . ?
O4 C96 1.288(6) . ?
O6 C1 1.279(6) . ?
O10 C296 1.248(6) . ?
O14 C10 1.273(7) . ?
O16 C296 1.285(6) . ?
O18 C22 1.275(7) . ?
O20 C14 1.277(6) . ?
O22 C222 1.281(7) . ?
C1 O37 1.243(6) . ?
C1 C174 1.492(7) . ?
O26 C105 1.269(7) . ?
O28 C166 1.263(7) . ?
O30 C10 1.246(7) . ?
O32 C47 1.239(6) . ?
O34 C104 1.237(7) . ?
O38 C86 1.262(7) . ?
O40 C86 1.253(7) . ?
O42 C76 1.288(6) . ?
O46 C279 1.249(6) . ?
O48 C286 1.286(6) . ?
O50 C179 1.274(7) . ?
O52 C222 1.258(7) . ?
O13 C14 1.254(7) . ?
O7 C34 1.293(7) . ?
O31 C286 1.255(6) . ?
C4 H4 0.9500 . ?
C4 C58 1.379(12) . ?
C4 C112 1.378(8) . ?
O2 C272 1.252(7) . ?
O33 C34 1.241(6) . ?
O17 C76 1.252(6) . ?
O35 C166 1.266(7) . ?
O9 C104 1.282(7) . ?
C6 H6 0.9500 . ?
C6 C136 1.402(8) . ?
C6 C257 1.392(8) . ?
N1 C62 1.334(7) . ?
N1 C223 1.352(7) . ?
O19 C22 1.253(7) . ?
C8 H8 0.9500 . ?
C8 C68 1.392(8) . ?
C8 C106 1.392(8) . ?
C10 C72 1.517(8) . ?
O39 C96 1.258(7) . ?
C12 H12 0.9500 . ?
C12 C114 1.408(14) . ?
C12 C262 1.374(14) . ?
C14 C216 1.499(7) . ?
C16 H16D 0.9800 . ?
C16 H16E 0.9800 . ?
C16 H16F 0.9800 . ?
C16 C29 1.527(9) . ?
C18 C36 1.389(7) . ?
C18 N8 1.350(7) . ?
C18 C304 1.495(8) . ?
O41 C154 1.237(7) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 C310 1.518(10) . ?
O21 C147 1.253(7) . ?
C22 C292 1.501(8) . ?
C24 H24 0.9500 . ?
C24 C48 1.413(9) . ?
C24 C64 1.382(8) . ?
C26 N6 1.374(7) . ?
C26 C218 1.395(8) . ?
C26 C223 1.469(8) . ?
O43 C147 1.270(6) . ?
N4 C38 1.349(7) . ?
N4 C304 1.334(7) . ?
O11 C47 1.297(6) . ?
C28 C70 1.393(8) . ?
C28 C176 1.383(8) . ?
C28 C272 1.498(7) . ?
C30 H30 0.9500 . ?
C30 C98 1.377(8) . ?
C30 C182 1.398(8) . ?
N6 C254 1.330(7) . ?
C32 C120 1.394(19) . ?
C32 C111 1.541(15) . ?
C32 C235 1.404(18) . ?
O45 C179 1.265(6) . ?
C34 C106 1.485(7) . ?
O23 C154 1.268(7) . ?
C36 H36 0.9500 . ?
C36 C263 1.386(9) . ?
C38 H38 0.9500 . ?
C38 C146 1.393(8) . ?
C40 C226 1.518(10) . ?
C40 C266 1.534(9) . ?
C40 C11 1.524(11) . ?
C40 C283 1.505(11) . ?
C42 C152 1.406(9) . ?
C42 C175 1.520(9) . ?
C42 C129 1.387(9) . ?
C44 H44 0.9500 . ?
C44 C66 1.372(9) . ?
C44 C99 1.403(9) . ?
C46 H46 0.9500 . ?
C46 C70 1.390(8) . ?
C46 C204 1.385(8) . ?
C48 C56 1.541(8) . ?
C48 C195 1.382(9) . ?
N8 C294 1.316(7) . ?
C50 C102 1.398(7) . ?
C50 C248 1.378(8) . ?
C50 C344 1.508(8) . ?
C52 H52 0.9500 . ?
C52 C87 1.391(8) . ?
C52 C63 1.385(8) . ?
C54 C248 1.402(8) . ?
C54 N16 1.335(7) . ?
C54 C211 1.483(8) . ?
C56 C92 1.524(10) . ?
C56 C200 1.524(9) . ?
C56 C265 1.535(9) . ?
C58 H58 0.9500 . ?
C58 C199 1.371(12) . ?
C60 H60 0.9500 . ?
C60 C90 1.378(8) . ?
C60 C266 1.401(9) . ?
C62 H62 0.9500 . ?
C62 C141 1.402(7) . ?
C64 H64 0.9500 . ?
C64 C72 1.372(9) . ?
C66 C250 1.385(8) . ?
C66 C105 1.496(8) . ?
C68 H68 0.9500 . ?
C68 C228 1.390(8) . ?
C70 H70 0.9500 . ?
C72 C164 1.378(9) . ?
O3 C105 1.250(6) . ?
C76 C308 1.494(7) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C78 C193 1.535(8) . ?
C80 C180 1.380(8) . ?
C80 C274 1.390(9) . ?
C80 C284 1.529(8) . ?
C82 H82 0.9500 . ?
C82 C168 1.387(8) . ?
C82 C334 1.373(9) . ?
N12 C112 1.366(8) . ?
N12 C227 1.342(8) . ?
C84 C160 1.377(7) . ?
C84 C47 1.497(8) . ?
C84 C203 1.394(8) . ?
C86 C270 1.490(7) . ?
C88 C100 1.538(8) . ?
C88 C138 1.536(13) . ?
C88 C201 1.535(11) . ?
C88 C213 1.507(11) . ?
C90 H90 0.9500 . ?
C90 C210 1.382(8) . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C94 H94 0.9500 . ?
C94 C176 1.395(8) . ?
C94 C204 1.411(8) . ?
C96 C209 1.493(7) . ?
C98 C236 1.394(7) . ?
C98 C286 1.500(7) . ?
C100 C188 1.353(9) . ?
C100 C278 1.371(10) . ?
C102 C197 1.491(7) . ?
C102 C269 1.384(7) . ?
C104 C136 1.494(8) . ?
C106 C91 1.389(8) . ?
C110 H110 0.9500 . ?
C110 C230 1.372(8) . ?
C110 C243 1.401(8) . ?
C112 H112 0.9500 . ?
C114 H114 0.9500 . ?
C114 C314 1.378(17) . ?
N14 C178 1.343(8) . ?
N14 C211 1.339(8) . ?
C116 H116 0.9500 . ?
C116 C174 1.403(8) . ?
C116 C282 1.402(7) . ?
C118 H118 0.9500 . ?
C118 C174 1.379(8) . ?
C118 C306 1.388(8) . ?
C120 H120 0.9500 . ?
C120 C192 1.373(16) . ?
C122 H122 0.9500 . ?
C122 C124 1.3900 . ?
C122 C132 1.3900 . ?
C124 C126 1.3900 . ?
C124 C154 1.558(8) . ?
C126 H126 0.9500 . ?
C126 C128 1.3900 . ?
C128 H128 0.9500 . ?
C128 C130 1.3900 . ?
C130 C132 1.3900 . ?
C130 C342 1.581(8) . ?
C132 H132 0.9500 . ?
C134 H13D 0.9800 . ?
C134 H13E 0.9800 . ?
C134 H13F 0.9800 . ?
C134 C35 1.526(8) . ?
C136 C277 1.378(8) . ?
C138 H13G 0.9800 . ?
C138 H13H 0.9800 . ?
C138 H13I 0.9800 . ?
C140 C172 1.545(8) . ?
C140 C258 1.384(9) . ?
C140 C121 1.391(8) . ?
O49 C279 1.271(7) . ?
C142 H142 0.9500 . ?
C142 C318 1.373(9) . ?
C142 C211 1.402(8) . ?
C144 H144 0.9500 . ?
C144 C148 1.377(8) . ?
C144 C129 1.401(9) . ?
C146 C253 1.493(10) . ?
C146 C9 1.387(9) . ?
C146 C337 1.498(18) . ?
C148 C158 1.397(8) . ?
C148 C147 1.488(7) . ?
C150 H150 0.9500 . ?
C150 C178 1.390(9) . ?
C150 C318 1.388(10) . ?
C152 H152 0.9500 . ?
C152 C158 1.371(9) . ?
C154 C153 1.512(8) . ?
C156 H156 0.9500 . ?
C156 C101 1.382(8) . ?
C156 C51 1.404(7) . ?
C158 H158 0.9500 . ?
C160 H160 0.9500 . ?
C160 C180 1.388(8) . ?
C162 H16A 0.9800 . ?
C162 H16B 0.9800 . ?
C162 H16C 0.9800 . ?
C162 C25 1.574(12) . ?
C164 H164 0.9500 . ?
C164 C195 1.390(8) . ?
C166 C262 1.523(12) . ?
C166 C163 1.521(14) . ?
C168 C222 1.491(7) . ?
C168 C51 1.379(7) . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C170 C175 1.559(12) . ?
C172 C190 1.524(10) . ?
C172 C202 1.532(14) . ?
C172 C215 1.529(11) . ?
C176 H176 0.9500 . ?
C178 H178 0.9500 . ?
C180 H180 0.9500 . ?
C182 H182 0.9500 . ?
C182 C336 1.380(8) . ?
C184 H184 0.9500 . ?
C184 C314 1.432(16) . ?
C184 C273 1.394(12) . ?
C188 H188 0.9500 . ?
C188 C256 1.393(9) . ?
C190 H19D 0.9800 . ?
C190 H19E 0.9800 . ?
C190 H19F 0.9800 . ?
C192 N9 1.368(8) . ?
C192 C227 1.477(9) . ?
C192 C325 1.405(14) . ?
C194 H194 0.9500 . ?
C194 C236 1.387(8) . ?
C194 C336 1.394(9) . ?
C196 C204 1.533(7) . ?
C196 C232 1.517(10) . ?
C196 C231 1.543(9) . ?
C196 C295 1.561(10) . ?
C198 H19A 0.9800 . ?
C198 H19B 0.9800 . ?
C198 H19C 0.9800 . ?
C198 C310 1.532(9) . ?
C200 H20F 0.9800 . ?
C200 H20G 0.9800 . ?
C200 H20H 0.9800 . ?
C202 H20I 0.9800 . ?
C202 H20J 0.9800 . ?
C202 H20K 0.9800 . ?
C206 H20L 0.9800 . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 C193 1.519(9) . ?
C208 C314 1.533(8) . ?
C208 C49 1.529(9) . ?
C208 C241 1.529(8) . ?
C208 C247 1.531(9) . ?
C210 C296 1.514(8) . ?
C210 C281 1.380(8) . ?
C212 H212 0.9500 . ?
C212 C300 1.388(9) . ?
C212 C348 1.383(9) . ?
C216 C87 1.376(8) . ?
C216 C45 1.390(8) . ?
C218 H218 0.9500 . ?
C218 C260 1.377(8) . ?
C220 H220 0.9500 . ?
C220 C308 1.366(8) . ?
C220 C330 1.391(10) . ?
C224 H224 0.9500 . ?
C224 C223 1.411(8) . ?
C224 C245 1.382(8) . ?
C226 H22D 0.9800 . ?
C226 H22E 0.9800 . ?
C226 H22F 0.9800 . ?
C228 C229 1.369(9) . ?
C228 C137 1.541(8) . ?
C230 H230 0.9500 . ?
C230 C288 1.405(8) . ?
C232 H23A 0.9800 . ?
C232 H23B 0.9800 . ?
C232 H23C 0.9800 . ?
C234 H234 0.9500 . ?
C234 C298 1.390(8) . ?
C234 C209 1.390(8) . ?
C236 H236 0.9500 . ?
C238 H238 0.9500 . ?
C238 C264 1.392(8) . ?
C238 C187 1.395(9) . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
C240 C284 1.498(11) . ?
C242 H24D 0.9800 . ?
C242 H24E 0.9800 . ?
C242 H24F 0.9800 . ?
C242 C246 1.552(19) . ?
C244 C256 1.361(8) . ?
C244 C221 1.375(9) . ?
C244 C279 1.502(7) . ?
C246 C290 1.494(19) . ?
C246 C300 1.540(9) . ?
C246 C289 1.575(18) . ?
C246 C74 1.513(14) . ?
C246 C1A 1.566(15) . ?
C246 C1B 1.531(15) . ?
C248 H248 0.9500 . ?
C250 H250 0.9500 . ?
C250 C181 1.398(9) . ?
C252 C302 1.562(8) . ?
C252 C23 1.499(9) . ?
C252 C57 1.529(8) . ?
C252 C135 1.573(8) . ?
C254 H254 0.9500 . ?
C254 C185 1.389(8) . ?
O51 C272 1.262(6) . ?
C256 H256 0.9500 . ?
C258 H258 0.9500 . ?
C258 C233 1.389(8) . ?
C260 H260 0.9500 . ?
C260 C185 1.383(9) . ?
C262 C273 1.388(16) . ?
N16 C269 1.330(7) . ?
C264 H264 0.9500 . ?
C264 C308 1.374(8) . ?
C266 C285 1.392(9) . ?
C268 H268 0.9500 . ?
C268 C300 1.380(10) . ?
C268 C326 1.379(9) . ?
C270 C346 1.375(9) . ?
C270 C233 1.398(8) . ?
C274 H274 0.9500 . ?
C274 C203 1.378(10) . ?
C276 H27A 0.9900 . ?
C276 H27B 0.9900 . ?
C276 C302 1.530(8) . ?
C276 C245 1.532(8) . ?
C278 H278 0.9500 . ?
C278 C221 1.377(9) . ?
C280 C298 1.386(9) . ?
C280 C310 1.544(7) . ?
C280 C261 1.401(8) . ?
C282 H282 0.9500 . ?
C282 C13 1.396(8) . ?
C284 C89 1.537(9) . ?
C284 C225 1.562(10) . ?
C288 C179 1.475(8) . ?
C288 C95 1.388(8) . ?
C290 H29A 0.9800 . ?
C290 H29B 0.9800 . ?
C290 H29C 0.9800 . ?
C292 C326 1.384(9) . ?
C292 C348 1.370(9) . ?
C294 H294 0.9500 . ?
C294 C133 1.391(8) . ?
C298 H298 0.9500 . ?
C302 H302 1.0000 . ?
C302 C67 1.560(9) . ?
C304 C113 1.390(8) . ?
C306 H306 0.9500 . ?
C306 C13 1.409(8) . ?
N9 C37 1.344(8) . ?
C310 C320 1.529(9) . ?
C312 C316 1.491(12) . ?
C312 C187 1.529(9) . ?
C312 C55 1.520(11) . ?
C312 C143 1.511(12) . ?
C316 H31A 0.9800 . ?
C316 H31B 0.9800 . ?
C316 H31C 0.9800 . ?
C318 H318 0.9500 . ?
C320 H32A 0.9800 . ?
C320 H32B 0.9800 . ?
C320 H32C 0.9800 . ?
C322 C181 1.386(9) . ?
C322 C99 1.365(9) . ?
C322 C25 1.541(8) . ?
C324 H32D 0.9800 . ?
C324 H32E 0.9800 . ?
C324 H32F 0.9800 . ?
C324 C347 1.539(10) . ?
C326 H326 0.9500 . ?
C328 H32G 0.9800 . ?
C328 H32H 0.9800 . ?
C328 H32I 0.9800 . ?
C328 C347 1.511(11) . ?
C330 H330 0.9500 . ?
C330 C187 1.383(10) . ?
C332 H33G 0.9800 . ?
C332 H33H 0.9800 . ?
C332 H33I 0.9800 . ?
C332 C93 1.526(10) . ?
C334 H334 0.9500 . ?
C334 C101 1.411(8) . ?
C336 C93 1.535(8) . ?
C338 H33A 0.9800 . ?
C338 H33B 0.9800 . ?
C338 H33C 0.9800 . ?
C338 C275 1.460(13) . ?
C342 C255 1.561(9) . ?
C342 C73 1.566(9) . ?
C342 C301 1.554(9) . ?
C344 H34D 0.9900 . ?
C344 H34E 0.9900 . ?
C344 C17 1.516(9) . ?
C346 H346 0.9500 . ?
C346 C121 1.383(9) . ?
C347 C61 1.510(11) . ?
C347 C63 1.534(9) . ?
C87 H87 0.9500 . ?
C175 C107 1.546(11) . ?
C175 C115 1.526(13) . ?
C11 H11F 0.9800 . ?
C11 H11G 0.9800 . ?
C11 H11H 0.9800 . ?
C177 H17I 0.9800 . ?
C177 H17J 0.9800 . ?
C177 H17K 0.9800 . ?
C177 C93 1.559(11) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C45 H45 0.9500 . ?
C45 C125 1.373(9) . ?
C181 H181 0.9500 . ?
C91 H91 0.9500 . ?
C91 C229 1.397(8) . ?
C183 H18A 0.9900 . ?
C183 H18B 0.9900 . ?
C183 C197 1.546(8) . ?
C183 C17 1.561(8) . ?
C23 H23J 0.9800 . ?
C23 H23K 0.9800 . ?
C23 H23L 0.9800 . ?
C185 H185 0.9500 . ?
C93 C7 1.531(9) . ?
C95 H95 0.9500 . ?
C95 C271 1.402(8) . ?
C191 H19G 0.9800 . ?
C191 H19H 0.9800 . ?
C191 H19I 0.9800 . ?
C191 C137 1.562(10) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 C275 1.506(10) . ?
C193 C13 1.527(7) . ?
C193 C145 1.550(9) . ?
C97 H97 0.9500 . ?
C97 C209 1.397(8) . ?
C97 C261 1.394(8) . ?
C195 H195 0.9500 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C197 H197 1.0000 . ?
C197 C29 1.560(7) . ?
C99 H99 0.9500 . ?
C199 H199 0.9500 . ?
C199 C227 1.405(8) . ?
C25 C239 1.531(9) . ?
C25 C287 1.489(12) . ?
C201 H20O 0.9800 . ?
C201 H20P 0.9800 . ?
C201 H20Q 0.9800 . ?
C101 C275 1.540(8) . ?
C203 H203 0.9500 . ?
C51 H51 0.9500 . ?
C205 C123 1.381(9) . ?
C205 C257 1.365(9) . ?
C205 C267 1.556(8) . ?
C103 H10A 0.9800 . ?
C103 H10B 0.9800 . ?
C103 H10C 0.9800 . ?
C103 C275 1.531(14) . ?
C207 H20D 0.9900 . ?
C207 H20E 0.9900 . ?
C207 C253 1.521(14) . ?
C207 C2 1.502(14) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C53 C137 1.536(9) . ?
C213 H21C 0.9800 . ?
C213 H21D 0.9800 . ?
C213 H21E 0.9800 . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C215 H21F 0.9800 . ?
C215 H21G 0.9800 . ?
C215 H21H 0.9800 . ?
C217 H21I 0.9800 . ?
C217 H21J 0.9800 . ?
C217 H21K 0.9800 . ?
C217 C267 1.549(11) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C221 H221 0.9500 . ?
C111 H11A 0.9900 . ?
C111 H11B 0.9900 . ?
C111 C299 1.511(19) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C225 H22A 0.9800 . ?
C225 H22B 0.9800 . ?
C225 H22C 0.9800 . ?
C113 H113 0.9500 . ?
C113 C9 1.383(9) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C229 H229 0.9500 . ?
C115 H11C 0.9800 . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C231 H23D 0.9800 . ?
C231 H23E 0.9800 . ?
C231 H23F 0.9800 . ?
C29 C33 1.531(8) . ?
C29 C17 1.564(8) . ?
C233 H233 0.9500 . ?
C235 C131 1.522(17) . ?
C235 C37 1.433(14) . ?
C59 C131 1.61(3) . ?
C59 C299 1.53(2) . ?
C59 C151 1.64(3) . ?
C59 C303 1.49(2) . ?
C239 H23G 0.9800 . ?
C239 H23H 0.9800 . ?
C239 H23I 0.9800 . ?
C348 H348 0.9500 . ?
C241 H24G 0.9800 . ?
C241 H24H 0.9800 . ?
C241 H24I 0.9800 . ?
C121 H121 0.9500 . ?
C243 C271 1.381(8) . ?
C243 C35 1.532(8) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C245 C141 1.394(7) . ?
C123 H123 0.9500 . ?
C123 C277 1.403(8) . ?
C247 H24J 0.9800 . ?
C247 H24K 0.9800 . ?
C247 H24L 0.9800 . ?
C31 H31I 0.9800 . ?
C31 H31J 0.9800 . ?
C31 H31K 0.9800 . ?
C31 C137 1.519(11) . ?
C125 H125 0.9500 . ?
C125 C63 1.387(9) . ?
C251 H25A 0.9900 . ?
C251 H25B 0.9900 . ?
C251 C2 1.539(12) . ?
C251 C9 1.527(12) . ?
C253 H253 1.0000 . ?
C253 C291 1.552(11) . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C127 C35 1.543(9) . ?
C255 H25C 0.9800 . ?
C255 H25D 0.9800 . ?
C255 H25E 0.9800 . ?
C2 H2 1.0000 . ?
C2 C291 1.569(16) . ?
C257 H257 0.9500 . ?
C129 H129 0.9500 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C131 1.512(19) . ?
C65 C299 1.53(3) . ?
C261 H261 0.9500 . ?
C131 H131 1.0000 . ?
C263 H263 0.9500 . ?
C263 C133 1.382(9) . ?
C33 H33J 0.9800 . ?
C33 H33K 0.9800 . ?
C33 H33L 0.9800 . ?
C265 H26A 0.9800 . ?
C265 H26B 0.9800 . ?
C265 H26C 0.9800 . ?
C133 H133 0.9500 . ?
C267 C69 1.503(12) . ?
C267 C293 1.548(11) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C135 1.573(8) . ?
C269 H269 0.9500 . ?
C135 H135 1.0000 . ?
C135 C141 1.496(7) . ?
C271 H271 0.9500 . ?
C17 H17 1.0000 . ?
C273 H273 0.9500 . ?
C275 C43 1.504(11) . ?
C275 C345 1.511(10) . ?
C275 C173 1.511(11) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C277 H277 0.9500 . ?
C139 H13A 0.9800 . ?
C139 H13B 0.9800 . ?
C139 H13C 0.9800 . ?
C139 C291 1.546(16) . ?
C35 C71 1.521(9) . ?
C281 H281 0.9500 . ?
C281 C285 1.382(9) . ?
C283 H28G 0.9800 . ?
C283 H28H 0.9800 . ?
C283 H28I 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C285 H285 0.9500 . ?
C143 H14A 0.9800 . ?
C143 H14B 0.9800 . ?
C143 H14C 0.9800 . ?
C287 H28A 0.9800 . ?
C287 H28B 0.9800 . ?
C287 H28C 0.9800 . ?
C9 C171 1.52(2) . ?
C289 H28D 0.9800 . ?
C289 H28E 0.9800 . ?
C289 H28F 0.9800 . ?
C145 H14D 0.9800 . ?
C145 H14E 0.9800 . ?
C145 H14F 0.9800 . ?
C291 C297 1.531(11) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C293 H29J 0.9800 . ?
C293 H29K 0.9800 . ?
C293 H29L 0.9800 . ?
C295 H29D 0.9800 . ?
C295 H29E 0.9800 . ?
C295 H29F 0.9800 . ?
C37 H37 0.9500 . ?
C37 H37A 0.9500 . ?
C37 C79 1.365(12) . ?
C297 H29G 0.9800 . ?
C297 H29H 0.9800 . ?
C297 H29I 0.9800 . ?
C299 H299 1.0000 . ?
C301 H30A 0.9800 . ?
C301 H30B 0.9800 . ?
C301 H30C 0.9800 . ?
C151 H15A 0.9800 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C303 H30D 0.9800 . ?
C303 H30E 0.9800 . ?
C303 H30F 0.9800 . ?
C153 C307 1.3900 . ?
C153 C311 1.3900 . ?
C307 H307 0.9500 . ?
C307 C77 1.3900 . ?
C77 H77 0.9500 . ?
C77 C309 1.3900 . ?
C309 C155 1.3900 . ?
C309 C313 1.584(8) . ?
C155 H155 0.9500 . ?
C155 C311 1.3900 . ?
C311 H311 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C39 C313 1.588(10) . ?
C313 C157 1.578(10) . ?
C313 C315 1.599(10) . ?
C157 H15D 0.9800 . ?
C157 H15E 0.9800 . ?
C157 H15F 0.9800 . ?
C315 H31D 0.9800 . ?
C315 H31E 0.9800 . ?
C315 H31F 0.9800 . ?
C79 C317 1.401(16) . ?
C79 C5 1.512(15) . ?
C317 C159 1.530(14) . ?
C317 C325 1.398(17) . ?
C159 H15G 0.9900 . ?
C159 H15H 0.9900 . ?
C159 C161 1.512(19) . ?
C319 H31G 0.9900 . ?
C319 H31H 0.9900 . ?
C319 C5 1.522(16) . ?
C319 C161 1.50(3) . ?
C5 H5 1.0000 . ?
C5 C321 1.59(2) . ?
C321 C161 1.552(17) . ?
C321 C323 1.491(17) . ?
C321 C81 1.63(3) . ?
C161 H161 1.0000 . ?
C323 H32J 0.9800 . ?
C323 H32K 0.9800 . ?
C323 H32L 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C325 H325 0.9500 . ?
C163 C327 1.378(16) . ?
C163 C331 1.387(19) . ?
C327 H327 0.9500 . ?
C327 C41 1.401(15) . ?
C41 H41 0.9500 . ?
C41 C329 1.370(18) . ?
C329 C165 1.445(19) . ?
C329 C333 1.534(9) . ?
C165 H165 0.9500 . ?
C165 C331 1.380(15) . ?
C331 H331 0.9500 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C83 C333 1.536(10) . ?
C333 C167 1.533(10) . ?
C333 C335 1.524(10) . ?
C167 H16G 0.9800 . ?
C167 H16H 0.9800 . ?
C167 H16I 0.9800 . ?
C335 H33M 0.9800 . ?
C335 H33N 0.9800 . ?
C335 H33O 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C337 1.50(2) . ?
C21 C341 1.50(2) . ?
C337 H337 1.0000 . ?
C337 C169 1.552(19) . ?
C169 C339 1.511(19) . ?
C169 C85 1.56(2) . ?
C169 C341 1.56(2) . ?
C339 H33D 0.9800 . ?
C339 H33E 0.9800 . ?
C339 H33F 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C341 H341 1.0000 . ?
C341 C171 1.542(19) . ?
C171 H17D 0.9900 . ?
C171 H17E 0.9900 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C345 H34A 0.9800 . ?
C345 H34B 0.9800 . ?
C345 H34C 0.9800 . ?
C173 H17F 0.9800 . ?
C173 H17G 0.9800 . ?
C173 H17H 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ti1 Eu1 Ti2 53.89(2) . . ?
Ti8 Eu1 Ti1 44.75(2) . . ?
Ti8 Eu1 Ti2 73.074(19) . . ?
Ti8 Eu1 Ti7 55.10(2) . . ?
Ti7 Eu1 Ti1 72.848(19) . . ?
Ti7 Eu1 Ti2 44.43(2) . . ?
O52 Eu1 Ti1 81.44(9) . . ?
O52 Eu1 Ti8 123.99(9) . . ?
O52 Eu1 Ti2 60.68(9) . . ?
O52 Eu1 Ti7 101.92(9) . . ?
O52 Eu1 N4 67.07(13) . . ?
O52 Eu1 N8 84.38(14) . . ?
O13 Eu1 Ti1 95.70(9) . . ?
O13 Eu1 Ti8 65.62(9) . . ?
O13 Eu1 Ti2 138.58(9) . . ?
O13 Eu1 Ti7 104.78(9) . . ?
O13 Eu1 O52 150.97(13) . . ?
O13 Eu1 O17 80.34(13) . . ?
O13 Eu1 N4 122.70(13) . . ?
O13 Eu1 N8 78.56(14) . . ?
O2 Eu1 Ti1 122.89(9) . . ?
O2 Eu1 Ti8 80.93(9) . . ?
O2 Eu1 Ti2 101.47(9) . . ?
O2 Eu1 Ti7 59.73(8) . . ?
O2 Eu1 O52 135.43(13) . . ?
O2 Eu1 O13 69.81(13) . . ?
O2 Eu1 O17 149.45(13) . . ?
O2 Eu1 N4 73.01(14) . . ?
O2 Eu1 N8 94.49(13) . . ?
O17 Eu1 Ti1 65.21(8) . . ?
O17 Eu1 Ti8 92.87(9) . . ?
O17 Eu1 Ti2 105.26(9) . . ?
O17 Eu1 Ti7 138.06(8) . . ?
O17 Eu1 O52 72.21(13) . . ?
O17 Eu1 N4 120.92(14) . . ?
O17 Eu1 N8 72.76(13) . . ?
N4 Eu1 Ti1 141.39(10) . . ?
N4 Eu1 Ti8 145.53(10) . . ?
N4 Eu1 Ti2 90.18(10) . . ?
N4 Eu1 Ti7 91.78(10) . . ?
O47 Eu1 Ti1 71.80(8) . . ?
O47 Eu1 Ti8 73.36(9) . . ?
O47 Eu1 Ti2 24.23(8) . . ?
O47 Eu1 Ti7 25.81(9) . . ?
O47 Eu1 O52 76.27(13) . . ?
O47 Eu1 O13 130.48(13) . . ?
O47 Eu1 O2 77.62(12) . . ?
O47 Eu1 O17 129.38(12) . . ?
O47 Eu1 N4 79.23(13) . . ?
O47 Eu1 N8 141.51(14) . . ?
N8 Eu1 Ti1 137.93(10) . . ?
N8 Eu1 Ti8 143.30(11) . . ?
N8 Eu1 Ti2 142.73(11) . . ?
N8 Eu1 Ti7 149.12(10) . . ?
N8 Eu1 N4 62.56(14) . . ?
O25 Eu1 Ti1 23.87(9) . . ?
O25 Eu1 Ti8 24.87(9) . . ?
O25 Eu1 Ti2 70.31(9) . . ?
O25 Eu1 Ti7 71.36(9) . . ?
O25 Eu1 O52 105.08(12) . . ?
O25 Eu1 O13 73.46(13) . . ?
O25 Eu1 O2 105.73(13) . . ?
O25 Eu1 O17 70.51(12) . . ?
O25 Eu1 N4 159.99(13) . . ?
O25 Eu1 O47 81.01(12) . . ?
O25 Eu1 N8 136.70(13) . . ?
Ti4 Eu4 Ti6 53.86(2) . . ?
Ti4 Eu4 Ti3 72.707(18) . . ?
Ti6 Eu4 Ti3 44.13(2) . . ?
Ti5 Eu4 Ti4 44.86(2) . . ?
Ti5 Eu4 Ti6 72.115(19) . . ?
Ti5 Eu4 Ti3 53.99(2) . . ?
O24 Eu4 Ti4 72.15(9) . . ?
O24 Eu4 Ti6 25.21(9) . . ?
O24 Eu4 Ti5 71.62(8) . . ?
O24 Eu4 Ti3 24.45(8) . . ?
O24 Eu4 O40 126.63(13) . . ?
O24 Eu4 O33 131.96(12) . . ?
O24 Eu4 N14 141.70(14) . . ?
O24 Eu4 N16 79.55(13) . . ?
O34 Eu4 Ti4 121.30(9) . . ?
O34 Eu4 Ti6 100.91(9) . . ?
O34 Eu4 Ti5 78.79(9) . . ?
O34 Eu4 Ti3 59.04(9) . . ?
O34 Eu4 O24 76.11(13) . . ?
O34 Eu4 O40 154.42(13) . . ?
O34 Eu4 O33 74.57(13) . . ?
O34 Eu4 N14 89.25(14) . . ?
O34 Eu4 N16 68.07(13) . . ?
O40 Eu4 Ti4 64.68(9) . . ?
O40 Eu4 Ti6 101.44(9) . . ?
O40 Eu4 Ti5 96.45(9) . . ?
O40 Eu4 Ti3 136.91(9) . . ?
O40 Eu4 O33 80.52(13) . . ?
O40 Eu4 N14 78.48(14) . . ?
O40 Eu4 N16 122.81(13) . . ?
O15 Eu4 Ti4 24.08(9) . . ?
O15 Eu4 Ti6 69.96(9) . . ?
O15 Eu4 Ti5 24.84(9) . . ?
O15 Eu4 Ti3 70.65(9) . . ?
O15 Eu4 O24 80.36(12) . . ?
O15 Eu4 O34 103.48(12) . . ?
O15 Eu4 O40 73.01(12) . . ?
O15 Eu4 O33 70.66(12) . . ?
O15 Eu4 O37 108.07(13) . . ?
O15 Eu4 N14 137.87(14) . . ?
O15 Eu4 N16 159.59(13) . . ?
O33 Eu4 Ti4 92.03(9) . . ?
O33 Eu4 Ti6 137.94(8) . . ?
O33 Eu4 Ti5 65.96(8) . . ?
O33 Eu4 Ti3 107.86(9) . . ?
O33 Eu4 N14 74.60(13) . . ?
O33 Eu4 N16 121.70(13) . . ?
O37 Eu4 Ti4 84.02(9) . . ?
O37 Eu4 Ti6 59.56(9) . . ?
O37 Eu4 Ti5 125.07(9) . . ?
O37 Eu4 Ti3 99.24(9) . . ?
O37 Eu4 O24 74.85(12) . . ?
O37 Eu4 O34 132.17(13) . . ?
O37 Eu4 O40 70.98(13) . . ?
O37 Eu4 O33 150.09(13) . . ?
O37 Eu4 N14 90.67(14) . . ?
O37 Eu4 N16 69.88(14) . . ?
N14 Eu4 Ti4 142.52(11) . . ?
N14 Eu4 Ti6 147.38(11) . . ?
N14 Eu4 Ti5 140.50(11) . . ?
N14 Eu4 Ti3 144.56(11) . . ?
N14 Eu4 N16 62.15(15) . . ?
N16 Eu4 Ti4 145.66(10) . . ?
N16 Eu4 Ti6 92.86(10) . . ?
N16 Eu4 Ti5 140.32(10) . . ?
N16 Eu4 Ti3 89.42(10) . . ?
Ti6 Eu2 Ti4 53.78(2) . . ?
Ti6 Eu2 Ti5 72.036(19) . . ?
Ti5 Eu2 Ti4 44.30(2) . . ?
Ti3 Eu2 Ti4 72.844(19) . . ?
Ti3 Eu2 Ti6 44.72(2) . . ?
Ti3 Eu2 Ti5 54.11(2) . . ?
O10 Eu2 Ti4 105.93(8) . . ?
O10 Eu2 Ti6 65.02(8) . . ?
O10 Eu2 Ti5 137.03(8) . . ?
O10 Eu2 Ti3 91.93(9) . . ?
O10 Eu2 N1 124.62(13) . . ?
O10 Eu2 N6 75.32(13) . . ?
O36 Eu2 Ti4 70.42(9) . . ?
O36 Eu2 Ti6 24.48(9) . . ?
O36 Eu2 Ti5 70.13(9) . . ?
O36 Eu2 Ti3 24.25(9) . . ?
O36 Eu2 O10 70.18(12) . . ?
O36 Eu2 O46 106.00(13) . . ?
O36 Eu2 O27 80.08(12) . . ?
O36 Eu2 O31 73.10(12) . . ?
O36 Eu2 O35 102.92(13) . . ?
O36 Eu2 N1 157.14(13) . . ?
O36 Eu2 N6 139.75(14) . . ?
O46 Eu2 Ti4 99.79(9) . . ?
O46 Eu2 Ti6 123.10(9) . . ?
O46 Eu2 Ti5 59.02(9) . . ?
O46 Eu2 Ti3 81.79(10) . . ?
O46 Eu2 O10 150.41(13) . . ?
O46 Eu2 O27 75.45(12) . . ?
O46 Eu2 O31 70.40(13) . . ?
O46 Eu2 N1 70.04(14) . . ?
O46 Eu2 N6 93.85(14) . . ?
O27 Eu2 Ti4 24.48(8) . . ?
O27 Eu2 Ti6 71.26(8) . . ?
O27 Eu2 Ti5 25.12(9) . . ?
O27 Eu2 Ti3 72.12(9) . . ?
O27 Eu2 O10 130.08(12) . . ?
O27 Eu2 O31 127.83(12) . . ?
O27 Eu2 N1 77.15(13) . . ?
O27 Eu2 N6 139.60(14) . . ?
O31 Eu2 Ti4 137.62(9) . . ?
O31 Eu2 Ti6 96.06(9) . . ?
O31 Eu2 Ti5 102.78(9) . . ?
O31 Eu2 Ti3 65.05(8) . . ?
O31 Eu2 O10 80.70(13) . . ?
O31 Eu2 N1 123.43(13) . . ?
O31 Eu2 N6 81.57(14) . . ?
O35 Eu2 Ti4 59.02(9) . . ?
O35 Eu2 Ti6 78.63(9) . . ?
O35 Eu2 Ti5 101.07(9) . . ?
O35 Eu2 Ti3 121.18(9) . . ?
O35 Eu2 O10 72.64(13) . . ?
O35 Eu2 O46 134.87(14) . . ?
O35 Eu2 O27 76.32(13) . . ?
O35 Eu2 O31 152.58(13) . . ?
O35 Eu2 N1 69.83(14) . . ?
O35 Eu2 N6 85.55(14) . . ?
N1 Eu2 Ti4 87.80(10) . . ?
N1 Eu2 Ti6 139.60(10) . . ?
N1 Eu2 Ti5 89.60(10) . . ?
N1 Eu2 Ti3 142.54(10) . . ?
N6 Eu2 Ti4 140.81(11) . . ?
N6 Eu2 Ti6 140.06(10) . . ?
N6 Eu2 Ti5 147.59(11) . . ?
N6 Eu2 Ti3 145.91(11) . . ?
N6 Eu2 N1 62.69(15) . . ?
Ti1 Eu3 Ti8 44.28(2) . . ?
Ti1 Eu3 Ti7 72.962(19) . . ?
Ti2 Eu3 Ti1 54.94(2) . . ?
Ti2 Eu3 Ti8 73.193(19) . . ?
Ti2 Eu3 Ti7 45.03(2) . . ?
Ti7 Eu3 Ti8 54.20(2) . . ?
O1 Eu3 Ti1 25.61(9) . . ?
O1 Eu3 Ti8 24.52(8) . . ?
O1 Eu3 Ti2 73.46(9) . . ?
O1 Eu3 Ti7 72.40(8) . . ?
O1 Eu3 O32 130.29(12) . . ?
O1 Eu3 O39 76.89(12) . . ?
O1 Eu3 O41 76.38(13) . . ?
O1 Eu3 O21 130.27(13) . . ?
O1 Eu3 N12 141.90(14) . . ?
O1 Eu3 N9 79.71(14) . . ?
O8 Eu3 Ti1 71.43(9) . . ?
O8 Eu3 Ti8 70.75(9) . . ?
O8 Eu3 Ti2 24.97(9) . . ?
O8 Eu3 Ti7 24.18(9) . . ?
O8 Eu3 O1 81.57(12) . . ?
O8 Eu3 O32 70.94(13) . . ?
O8 Eu3 O39 105.46(13) . . ?
O8 Eu3 O41 105.01(13) . . ?
O8 Eu3 O21 73.35(12) . . ?
O8 Eu3 N12 135.78(14) . . ?
O8 Eu3 N9 161.13(14) . . ?
O32 Eu3 Ti1 138.51(8) . . ?
O32 Eu3 Ti8 105.85(9) . . ?
O32 Eu3 Ti2 93.47(9) . . ?
O32 Eu3 Ti7 65.55(8) . . ?
O32 Eu3 O41 72.13(14) . . ?
O32 Eu3 N12 71.53(13) . . ?
O32 Eu3 N9 120.53(15) . . ?
O39 Eu3 Ti1 59.50(9) . . ?
O39 Eu3 Ti8 101.03(9) . . ?
O39 Eu3 Ti2 80.59(9) . . ?
O39 Eu3 Ti7 122.83(9) . . ?
O39 Eu3 O32 149.48(13) . . ?
O39 Eu3 O41 135.50(14) . . ?
O39 Eu3 N12 95.28(14) . . ?
O39 Eu3 N9 72.54(15) . . ?
O41 Eu3 Ti1 101.75(10) . . ?
O41 Eu3 Ti8 60.47(9) . . ?
O41 Eu3 Ti2 123.80(9) . . ?
O41 Eu3 Ti7 81.05(9) . . ?
O41 Eu3 N12 84.67(14) . . ?
O41 Eu3 N9 68.15(15) . . ?
O21 Eu3 Ti1 104.71(9) . . ?
O21 Eu3 Ti8 138.74(9) . . ?
O21 Eu3 Ti2 65.68(9) . . ?
O21 Eu3 Ti7 95.89(9) . . ?
O21 Eu3 O32 80.48(13) . . ?
O21 Eu3 O39 69.74(13) . . ?
O21 Eu3 O41 151.18(13) . . ?
O21 Eu3 N12 78.19(14) . . ?
O21 Eu3 N9 121.44(14) . . ?
N12 Eu3 Ti1 149.91(11) . . ?
N12 Eu3 Ti8 142.94(12) . . ?
N12 Eu3 Ti2 142.85(12) . . ?
N12 Eu3 Ti7 137.05(11) . . ?
N12 Eu3 N9 62.52(16) . . ?
N9 Eu3 Ti1 92.31(12) . . ?
N9 Eu3 Ti8 91.00(11) . . ?
N9 Eu3 Ti2 145.58(12) . . ?
N9 Eu3 Ti7 142.47(12) . . ?
Eu3 Ti1 Eu1 106.87(2) . . ?
Ti8 Ti1 Eu1 66.50(3) . . ?
Ti8 Ti1 Eu3 69.04(3) . . ?
O1 Ti1 Eu1 101.35(10) . . ?
O1 Ti1 Eu3 32.58(11) . . ?
O1 Ti1 Ti8 42.13(10) . . ?
O1 Ti1 O4 94.64(15) . . ?
O1 Ti1 O26 88.73(16) . . ?
O1 Ti1 O42 165.35(16) . . ?
O4 Ti1 Eu1 160.11(12) . . ?
O4 Ti1 Eu3 80.61(11) . . ?
O4 Ti1 Ti8 132.77(12) . . ?
O4 Ti1 O26 79.30(15) . . ?
O12 Ti1 Eu1 74.51(11) . . ?
O12 Ti1 Eu3 69.35(12) . . ?
O12 Ti1 Ti8 109.22(12) . . ?
O12 Ti1 O1 98.08(17) . . ?
O12 Ti1 O4 91.70(16) . . ?
O12 Ti1 O26 169.17(16) . . ?
O12 Ti1 O42 92.59(17) . . ?
O12 Ti1 O25 99.37(16) . . ?
O26 Ti1 Eu1 112.53(10) . . ?
O26 Ti1 Eu3 114.51(11) . . ?
O26 Ti1 Ti8 81.47(11) . . ?
O42 Ti1 Eu1 71.82(10) . . ?
O42 Ti1 Eu3 161.14(12) . . ?
O42 Ti1 Ti8 124.46(11) . . ?
O42 Ti1 O4 95.05(15) . . ?
O42 Ti1 O26 82.31(16) . . ?
O25 Ti1 Eu1 30.05(11) . . ?
O25 Ti1 Eu3 100.90(12) . . ?
O25 Ti1 Ti8 40.48(11) . . ?
O25 Ti1 O1 81.42(15) . . ?
O25 Ti1 O4 168.65(17) . . ?
O25 Ti1 O26 89.93(15) . . ?
O25 Ti1 O42 86.98(15) . . ?
Eu4 Ti4 Eu2 107.21(3) . . ?
Ti5 Ti4 Eu4 67.16(3) . . ?
Ti5 Ti4 Eu2 67.40(3) . . ?
O14 Ti4 Eu4 111.18(11) . . ?
O14 Ti4 Eu2 115.31(10) . . ?
O14 Ti4 Ti5 82.32(11) . . ?
O28 Ti4 Eu4 160.28(11) . . ?
O28 Ti4 Eu2 78.43(11) . . ?
O28 Ti4 Ti5 131.04(11) . . ?
O28 Ti4 O14 81.87(16) . . ?
O38 Ti4 Eu4 74.28(11) . . ?
O38 Ti4 Eu2 159.47(12) . . ?
O38 Ti4 Ti5 129.02(12) . . ?
O38 Ti4 O14 81.83(15) . . ?
O38 Ti4 O28 93.84(16) . . ?
O27 Ti4 Eu4 101.59(11) . . ?
O27 Ti4 Eu2 31.14(11) . . ?
O27 Ti4 Ti5 41.57(11) . . ?
O27 Ti4 O14 90.58(15) . . ?
O27 Ti4 O28 92.72(15) . . ?
O27 Ti4 O38 169.17(17) . . ?
O29 Ti4 Eu4 71.09(12) . . ?
O29 Ti4 Eu2 73.19(11) . . ?
O29 Ti4 Ti5 108.24(13) . . ?
O29 Ti4 O14 168.84(16) . . ?
O29 Ti4 O28 93.31(17) . . ?
O29 Ti4 O38 88.48(16) . . ?
O29 Ti4 O27 99.73(16) . . ?
O29 Ti4 O15 96.63(17) . . ?
O15 Ti4 Eu4 30.45(10) . . ?
O15 Ti4 Eu2 100.17(11) . . ?
O15 Ti4 Ti5 40.79(10) . . ?
O15 Ti4 O14 89.11(16) . . ?
O15 Ti4 O28 169.10(16) . . ?
O15 Ti4 O38 90.88(16) . . ?
O15 Ti4 O27 81.23(15) . . ?
Eu2 Ti6 Eu4 107.66(2) . . ?
Ti3 Ti6 Eu4 68.33(3) . . ?
Ti3 Ti6 Eu2 67.63(3) . . ?
O6 Ti6 Eu4 79.55(11) . . ?
O6 Ti6 Eu2 160.80(11) . . ?
O6 Ti6 Ti3 130.91(11) . . ?
O6 Ti6 O50 79.97(15) . . ?
O16 Ti6 Eu4 160.18(12) . . ?
O16 Ti6 Eu2 71.16(10) . . ?
O16 Ti6 Ti3 125.95(11) . . ?
O16 Ti6 O6 95.91(15) . . ?
O16 Ti6 O50 82.44(16) . . ?
O24 Ti6 Eu4 32.25(11) . . ?
O24 Ti6 Eu2 102.04(10) . . ?
O24 Ti6 Ti3 41.53(10) . . ?
O24 Ti6 O6 93.34(15) . . ?
O24 Ti6 O16 166.55(16) . . ?
O24 Ti6 O50 89.60(16) . . ?
O36 Ti6 Eu4 100.64(11) . . ?
O36 Ti6 Eu2 31.13(11) . . ?
O36 Ti6 Ti3 40.49(11) . . ?
O36 Ti6 O6 167.26(17) . . ?
O36 Ti6 O16 88.01(15) . . ?
O36 Ti6 O24 80.93(15) . . ?
O36 Ti6 O50 88.57(15) . . ?
O50 Ti6 Eu4 115.29(11) . . ?
O50 Ti6 Eu2 111.23(10) . . ?
O50 Ti6 Ti3 81.45(11) . . ?
O29 Ti6 Eu4 70.25(12) . . ?
O29 Ti6 Eu2 74.71(11) . . ?
O29 Ti6 Ti3 109.87(12) . . ?
O29 Ti6 O6 91.79(16) . . ?
O29 Ti6 O16 90.77(17) . . ?
O29 Ti6 O24 98.69(17) . . ?
O29 Ti6 O36 100.29(16) . . ?
O29 Ti6 O50 168.68(16) . . ?
Eu1 Ti8 Eu3 106.81(3) . . ?
Ti1 Ti8 Eu1 68.75(3) . . ?
Ti1 Ti8 Eu3 66.68(3) . . ?
O1 Ti8 Eu1 103.04(11) . . ?
O1 Ti8 Eu3 30.85(11) . . ?
O1 Ti8 Ti1 41.69(11) . . ?
O1 Ti8 O20 168.84(16) . . ?
O1 Ti8 O23 92.34(15) . . ?
O1 Ti8 O3 89.17(15) . . ?
O20 Ti8 Eu1 73.32(11) . . ?
O20 Ti8 Eu3 160.09(11) . . ?
O20 Ti8 Ti1 128.81(12) . . ?
O20 Ti8 O23 94.40(16) . . ?
O20 Ti8 O3 82.79(15) . . ?
O5 Ti8 Eu1 70.11(12) . . ?
O5 Ti8 Eu3 72.70(11) . . ?
O5 Ti8 Ti1 108.18(12) . . ?
O5 Ti8 O1 99.60(16) . . ?
O5 Ti8 O20 89.16(15) . . ?
O5 Ti8 O23 91.13(17) . . ?
O5 Ti8 O3 169.88(16) . . ?
O5 Ti8 O25 96.32(16) . . ?
O23 Ti8 Eu1 157.29(11) . . ?
O23 Ti8 Eu3 78.22(11) . . ?
O23 Ti8 Ti1 131.45(11) . . ?
O23 Ti8 O3 83.41(16) . . ?
O3 Ti8 Eu1 113.02(11) . . ?
O3 Ti8 Eu3 114.22(10) . . ?
O3 Ti8 Ti1 81.74(11) . . ?
O25 Ti8 Eu1 31.70(10) . . ?
O25 Ti8 Eu3 99.15(11) . . ?
O25 Ti8 Ti1 40.96(10) . . ?
O25 Ti8 O1 81.47(15) . . ?
O25 Ti8 O20 90.76(16) . . ?
O25 Ti8 O23 171.00(15) . . ?
O25 Ti8 O3 89.94(16) . . ?
Eu3 Ti2 Eu1 106.92(3) . . ?
Ti7 Ti2 Eu1 66.45(3) . . ?
Ti7 Ti2 Eu3 68.46(3) . . ?
O8 Ti2 Eu1 99.17(11) . . ?
O8 Ti2 Eu3 31.72(11) . . ?
O8 Ti2 Ti7 40.79(11) . . ?
O8 Ti2 O18 89.98(16) . . ?
O8 Ti2 O22 169.46(16) . . ?
O8 Ti2 O43 91.05(15) . . ?
O8 Ti2 O47 81.38(15) . . ?
O12 Ti2 Eu1 73.26(11) . . ?
O12 Ti2 Eu3 70.53(12) . . ?
O12 Ti2 Ti7 108.47(13) . . ?
O12 Ti2 O8 96.93(17) . . ?
O12 Ti2 O18 168.96(17) . . ?
O12 Ti2 O22 91.97(17) . . ?
O12 Ti2 O43 89.54(15) . . ?
O12 Ti2 O47 99.67(16) . . ?
O18 Ti2 Eu1 114.22(10) . . ?
O18 Ti2 Eu3 112.99(11) . . ?
O18 Ti2 Ti7 82.37(11) . . ?
O22 Ti2 Eu1 77.97(11) . . ?
O22 Ti2 Eu3 158.82(11) . . ?
O22 Ti2 Ti7 130.46(11) . . ?
O22 Ti2 O18 82.11(16) . . ?
O22 Ti2 O43 94.67(15) . . ?
O43 Ti2 Eu1 160.86(11) . . ?
O43 Ti2 Eu3 73.98(11) . . ?
O43 Ti2 Ti7 128.88(12) . . ?
O43 Ti2 O18 81.70(15) . . ?
O47 Ti2 Eu1 30.37(10) . . ?
O47 Ti2 Eu3 102.78(12) . . ?
O47 Ti2 Ti7 41.72(11) . . ?
O47 Ti2 O18 89.84(15) . . ?
O47 Ti2 O22 91.60(16) . . ?
O47 Ti2 O43 168.68(16) . . ?
Eu4 Ti5 Eu2 108.18(2) . . ?
Ti4 Ti5 Eu4 67.98(3) . . ?
Ti4 Ti5 Eu2 68.31(3) . . ?
O30 Ti5 Eu4 110.85(10) . . ?
O30 Ti5 Eu2 114.70(11) . . ?
O30 Ti5 Ti4 80.71(11) . . ?
O44 Ti5 Eu4 74.83(11) . . ?
O44 Ti5 Eu2 69.84(11) . . ?
O44 Ti5 Ti4 109.41(12) . . ?
O44 Ti5 O30 169.84(16) . . ?
O44 Ti5 O27 97.86(16) . . ?
O44 Ti5 O7 91.47(17) . . ?
O44 Ti5 O15 100.27(16) . . ?
O44 Ti5 O49 92.39(16) . . ?
O27 Ti5 Eu4 102.32(11) . . ?
O27 Ti5 Eu2 31.97(11) . . ?
O27 Ti5 Ti4 41.54(11) . . ?
O27 Ti5 O30 89.24(16) . . ?
O27 Ti5 O7 165.94(16) . . ?
O27 Ti5 O49 93.37(15) . . ?
O7 Ti5 Eu4 69.95(10) . . ?
O7 Ti5 Eu2 160.66(12) . . ?
O7 Ti5 Ti4 125.12(11) . . ?
O7 Ti5 O30 82.96(16) . . ?
O7 Ti5 O49 96.73(15) . . ?
O15 Ti5 Eu4 31.33(11) . . ?
O15 Ti5 Eu2 100.86(11) . . ?
O15 Ti5 Ti4 40.62(11) . . ?
O15 Ti5 O30 87.96(15) . . ?
O15 Ti5 O27 81.04(15) . . ?
O15 Ti5 O7 86.99(15) . . ?
O15 Ti5 O49 166.73(17) . . ?
O49 Ti5 Eu4 160.86(12) . . ?
O49 Ti5 Eu2 79.67(11) . . ?
O49 Ti5 Ti4 130.67(12) . . ?
O49 Ti5 O30 79.89(15) . . ?
Eu2 Ti3 Eu4 107.23(3) . . ?
Ti6 Ti3 Eu4 67.53(3) . . ?
Ti6 Ti3 Eu2 67.65(3) . . ?
O24 Ti3 Eu4 31.39(10) . . ?
O24 Ti3 Eu2 102.24(11) . . ?
O24 Ti3 Ti6 41.75(11) . . ?
O24 Ti3 O48 168.42(16) . . ?
O24 Ti3 O9 92.68(15) . . ?
O24 Ti3 O45 88.77(15) . . ?
O36 Ti3 Eu4 100.09(11) . . ?
O36 Ti3 Eu2 30.98(11) . . ?
O36 Ti3 Ti6 40.71(11) . . ?
O36 Ti3 O24 81.35(15) . . ?
O36 Ti3 O48 90.61(15) . . ?
O36 Ti3 O9 169.78(16) . . ?
O36 Ti3 O45 90.05(16) . . ?
O44 Ti3 Eu4 72.59(11) . . ?
O44 Ti3 Eu2 70.54(11) . . ?
O44 Ti3 Ti6 107.79(12) . . ?
O44 Ti3 O24 99.47(16) . . ?
O44 Ti3 O36 96.30(16) . . ?
O44 Ti3 O48 89.64(16) . . ?
O44 Ti3 O9 92.84(16) . . ?
O44 Ti3 O45 170.24(16) . . ?
O48 Ti3 Eu4 160.04(12) . . ?
O48 Ti3 Eu2 73.96(11) . . ?
O48 Ti3 Ti6 128.45(11) . . ?
O48 Ti3 O45 82.88(15) . . ?
O9 Ti3 Eu4 78.31(11) . . ?
O9 Ti3 Eu2 159.13(11) . . ?
O9 Ti3 Ti6 131.45(11) . . ?
O9 Ti3 O48 93.99(15) . . ?
O9 Ti3 O45 81.49(15) . . ?
O45 Ti3 Eu4 113.64(10) . . ?
O45 Ti3 Eu2 112.98(11) . . ?
O45 Ti3 Ti6 81.84(11) . . ?
Eu1 Ti7 Eu3 107.32(2) . . ?
Ti2 Ti7 Eu1 69.11(3) . . ?
Ti2 Ti7 Eu3 66.50(3) . . ?
O8 Ti7 Eu1 101.19(11) . . ?
O8 Ti7 Eu3 30.34(12) . . ?
O8 Ti7 Ti2 40.30(11) . . ?
O8 Ti7 O19 88.67(16) . . ?
O8 Ti7 O11 86.89(15) . . ?
O8 Ti7 O47 81.06(15) . . ?
O8 Ti7 O51 167.38(17) . . ?
O19 Ti7 Eu1 114.64(11) . . ?
O19 Ti7 Eu3 111.48(10) . . ?
O19 Ti7 Ti2 80.95(11) . . ?
O5 Ti7 Eu1 69.44(12) . . ?
O5 Ti7 Eu3 74.48(11) . . ?
O5 Ti7 Ti2 108.94(12) . . ?
O5 Ti7 O8 99.55(16) . . ?
O5 Ti7 O19 170.07(16) . . ?
O5 Ti7 O11 92.68(17) . . ?
O5 Ti7 O47 97.81(16) . . ?
O5 Ti7 O51 92.59(16) . . ?
O11 Ti7 Eu1 161.27(13) . . ?
O11 Ti7 Eu3 71.57(10) . . ?
O11 Ti7 Ti2 124.37(11) . . ?
O11 Ti7 O19 82.12(17) . . ?
O11 Ti7 O51 96.04(15) . . ?
O47 Ti7 Eu1 32.56(10) . . ?
O47 Ti7 Eu3 101.14(10) . . ?
O47 Ti7 Ti2 41.89(10) . . ?
O47 Ti7 O19 88.93(16) . . ?
O47 Ti7 O11 165.16(16) . . ?
O47 Ti7 O51 93.94(15) . . ?
O51 Ti7 Eu1 79.78(11) . . ?
O51 Ti7 Eu3 161.24(12) . . ?
O51 Ti7 Ti2 131.67(12) . . ?
O51 Ti7 O19 79.61(15) . . ?
Ti1 O1 Eu3 121.81(18) . . ?
Ti1 O1 Ti8 96.18(15) . . ?
Ti8 O1 Eu3 124.63(17) . . ?
C96 O4 Ti1 126.2(3) . . ?
C1 O6 Ti6 127.1(3) . . ?
Ti2 O8 Eu3 123.31(17) . . ?
Ti2 O8 Ti7 98.90(16) . . ?
Ti7 O8 Eu3 125.47(19) . . ?
C296 O10 Eu2 129.6(3) . . ?
Ti1 O12 Ti2 142.4(2) . . ?
C10 O14 Ti4 124.6(4) . . ?
C296 O16 Ti6 129.9(3) . . ?
C22 O18 Ti2 124.6(4) . . ?
C14 O20 Ti8 137.4(4) . . ?
C222 O22 Ti2 131.6(4) . . ?
Ti6 O24 Eu4 122.55(18) . . ?
Ti3 O24 Eu4 124.16(17) . . ?
Ti3 O24 Ti6 96.71(15) . . ?
O6 C1 C174 115.7(5) . . ?
O37 C1 O6 124.6(4) . . ?
O37 C1 C174 119.7(5) . . ?
C105 O26 Ti1 126.2(3) . . ?
C166 O28 Ti4 126.9(4) . . ?
C10 O30 Ti5 126.5(4) . . ?
C47 O32 Eu3 130.9(3) . . ?
C104 O34 Eu4 136.6(3) . . ?
Ti6 O36 Eu2 124.39(18) . . ?
Ti3 O36 Eu2 124.76(17) . . ?
Ti3 O36 Ti6 98.80(16) . . ?
C86 O38 Ti4 136.1(4) . . ?
C86 O40 Eu4 130.4(3) . . ?
C76 O42 Ti1 128.2(3) . . ?
Ti5 O44 Ti3 142.4(2) . . ?
C279 O46 Eu2 141.3(3) . . ?
C286 O48 Ti3 136.9(4) . . ?
C179 O50 Ti6 127.0(3) . . ?
C222 O52 Eu1 137.7(4) . . ?
C14 O13 Eu1 128.1(3) . . ?
Ti4 O27 Eu2 124.37(18) . . ?
Ti4 O27 Ti5 96.89(16) . . ?
Ti5 O27 Eu2 122.91(17) . . ?
C34 O7 Ti5 130.0(3) . . ?
Ti6 O29 Ti4 141.8(2) . . ?
Ti4 O15 Eu4 125.48(17) . . ?
Ti4 O15 Ti5 98.59(16) . . ?
Ti5 O15 Eu4 123.84(19) . . ?
C286 O31 Eu2 129.5(3) . . ?
C58 C4 H4 120.1 . . ?
C112 C4 H4 120.1 . . ?
C112 C4 C58 119.9(7) . . ?
C272 O2 Eu1 141.2(3) . . ?
C34 O33 Eu4 127.3(3) . . ?
C76 O17 Eu1 131.6(3) . . ?
C166 O35 Eu2 136.9(3) . . ?
C104 O9 Ti3 127.6(4) . . ?
C136 C6 H6 120.4 . . ?
C257 C6 H6 120.4 . . ?
C257 C6 C136 119.3(6) . . ?
C1 O37 Eu4 142.2(3) . . ?
C62 N1 Eu2 121.8(3) . . ?
C62 N1 C223 118.4(5) . . ?
C223 N1 Eu2 119.8(4) . . ?
C22 O19 Ti7 126.7(3) . . ?
C68 C8 H8 119.6 . . ?
C68 C8 C106 120.9(5) . . ?
C106 C8 H8 119.6 . . ?
O14 C10 C72 117.0(5) . . ?
O30 C10 O14 125.5(5) . . ?
O30 C10 C72 117.5(5) . . ?
C96 O39 Eu3 143.6(3) . . ?
C114 C12 H12 120.5 . . ?
C262 C12 H12 120.5 . . ?
C262 C12 C114 119.0(12) . . ?
Ti7 O5 Ti8 142.5(2) . . ?
O20 C14 C216 116.2(5) . . ?
O13 C14 O20 124.7(5) . . ?
O13 C14 C216 119.1(5) . . ?
H16D C16 H16E 109.5 . . ?
H16D C16 H16F 109.5 . . ?
H16E C16 H16F 109.5 . . ?
C29 C16 H16D 109.5 . . ?
C29 C16 H16E 109.5 . . ?
C29 C16 H16F 109.5 . . ?
C36 C18 C304 122.5(5) . . ?
N8 C18 C36 121.1(5) . . ?
N8 C18 C304 116.4(5) . . ?
C154 O41 Eu3 139.8(4) . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C310 C20 H20A 109.5 . . ?
C310 C20 H20B 109.5 . . ?
C310 C20 H20C 109.5 . . ?
C147 O21 Eu3 127.5(3) . . ?
O18 C22 C292 116.8(5) . . ?
O19 C22 O18 125.2(5) . . ?
O19 C22 C292 117.9(5) . . ?
C48 C24 H24 119.6 . . ?
C64 C24 H24 119.6 . . ?
C64 C24 C48 120.8(6) . . ?
N6 C26 C218 121.0(5) . . ?
N6 C26 C223 115.2(5) . . ?
C218 C26 C223 123.8(5) . . ?
C147 O43 Ti2 135.5(4) . . ?
C38 N4 Eu1 119.7(3) . . ?
C304 N4 Eu1 119.9(4) . . ?
C304 N4 C38 118.5(5) . . ?
C47 O11 Ti7 129.2(3) . . ?
C70 C28 C272 119.8(5) . . ?
C176 C28 C70 118.7(5) . . ?
C176 C28 C272 121.5(5) . . ?
C98 C30 H30 119.9 . . ?
C98 C30 C182 120.1(5) . . ?
C182 C30 H30 119.9 . . ?
C26 N6 Eu2 120.2(4) . . ?
C254 N6 Eu2 117.6(4) . . ?
C254 N6 C26 118.3(5) . . ?
C120 C32 C111 120.5(13) . . ?
C120 C32 C235 118.1(13) . . ?
C235 C32 C111 121.3(13) . . ?
C179 O45 Ti3 125.1(4) . . ?
O7 C34 C106 115.1(4) . . ?
O33 C34 O7 124.4(5) . . ?
O33 C34 C106 120.5(5) . . ?
C154 O23 Ti8 130.1(4) . . ?
C18 C36 H36 120.5 . . ?
C263 C36 C18 119.0(6) . . ?
C263 C36 H36 120.5 . . ?
N4 C38 H38 118.6 . . ?
N4 C38 C146 122.7(5) . . ?
C146 C38 H38 118.6 . . ?
Ti2 O47 Eu1 125.41(17) . . ?
Ti7 O47 Eu1 121.62(17) . . ?
Ti7 O47 Ti2 96.38(15) . . ?
C226 C40 C266 109.4(6) . . ?
C226 C40 C11 107.5(7) . . ?
C11 C40 C266 108.2(5) . . ?
C283 C40 C226 108.9(6) . . ?
C283 C40 C266 112.7(6) . . ?
C283 C40 C11 110.0(7) . . ?
C152 C42 C175 120.4(6) . . ?
C129 C42 C152 116.7(5) . . ?
C129 C42 C175 122.9(6) . . ?
C66 C44 H44 120.0 . . ?
C66 C44 C99 120.1(6) . . ?
C99 C44 H44 120.0 . . ?
C70 C46 H46 119.1 . . ?
C204 C46 H46 119.1 . . ?
C204 C46 C70 121.7(5) . . ?
C24 C48 C56 122.8(6) . . ?
C195 C48 C24 117.0(5) . . ?
C195 C48 C56 120.1(6) . . ?
C18 N8 Eu1 118.8(3) . . ?
C294 N8 Eu1 119.4(4) . . ?
C294 N8 C18 118.6(5) . . ?
C102 C50 C344 117.2(5) . . ?
C248 C50 C102 118.1(5) . . ?
C248 C50 C344 124.6(5) . . ?
C87 C52 H52 119.4 . . ?
C63 C52 H52 119.4 . . ?
C63 C52 C87 121.2(6) . . ?
C248 C54 C211 123.6(5) . . ?
N16 C54 C248 120.8(6) . . ?
N16 C54 C211 115.6(5) . . ?
C92 C56 C48 112.4(6) . . ?
C92 C56 C200 109.9(6) . . ?
C92 C56 C265 109.0(6) . . ?
C200 C56 C48 108.5(5) . . ?
C200 C56 C265 109.7(6) . . ?
C265 C56 C48 107.3(5) . . ?
C4 C58 H58 120.8 . . ?
C199 C58 C4 118.4(6) . . ?
C199 C58 H58 120.8 . . ?
C90 C60 H60 119.1 . . ?
C90 C60 C266 121.7(6) . . ?
C266 C60 H60 119.1 . . ?
N1 C62 H62 118.1 . . ?
N1 C62 C141 123.8(4) . . ?
C141 C62 H62 118.1 . . ?
C24 C64 H64 119.7 . . ?
C72 C64 C24 120.5(6) . . ?
C72 C64 H64 119.7 . . ?
C44 C66 C250 118.3(5) . . ?
C44 C66 C105 120.6(5) . . ?
C250 C66 C105 121.1(5) . . ?
C8 C68 H68 119.4 . . ?
C228 C68 C8 121.1(5) . . ?
C228 C68 H68 119.4 . . ?
C28 C70 H70 119.7 . . ?
C46 C70 C28 120.7(5) . . ?
C46 C70 H70 119.7 . . ?
C64 C72 C10 121.6(5) . . ?
C64 C72 C164 120.0(6) . . ?
C164 C72 C10 118.3(5) . . ?
C105 O3 Ti8 125.7(4) . . ?
O42 C76 C308 116.8(4) . . ?
O17 C76 O42 124.8(5) . . ?
O17 C76 C308 118.4(5) . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C193 C78 H78A 109.5 . . ?
C193 C78 H78B 109.5 . . ?
C193 C78 H78C 109.5 . . ?
C180 C80 C274 116.9(5) . . ?
C180 C80 C284 120.6(5) . . ?
C274 C80 C284 122.5(5) . . ?
C168 C82 H82 119.6 . . ?
C334 C82 H82 119.6 . . ?
C334 C82 C168 120.9(5) . . ?
C112 N12 Eu3 119.4(4) . . ?
C227 N12 Eu3 118.7(4) . . ?
C227 N12 C112 117.9(5) . . ?
C160 C84 C47 122.0(5) . . ?
C160 C84 C203 117.9(5) . . ?
C203 C84 C47 120.0(5) . . ?
O38 C86 C270 115.0(5) . . ?
O40 C86 O38 126.5(5) . . ?
O40 C86 C270 118.4(5) . . ?
C138 C88 C100 108.5(6) . . ?
C201 C88 C100 108.6(6) . . ?
C201 C88 C138 109.7(8) . . ?
C213 C88 C100 112.5(6) . . ?
C213 C88 C138 110.8(8) . . ?
C213 C88 C201 106.7(6) . . ?
C60 C90 H90 119.8 . . ?
C60 C90 C210 120.3(5) . . ?
C210 C90 H90 119.8 . . ?
C56 C92 H92A 109.5 . . ?
C56 C92 H92B 109.5 . . ?
C56 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C176 C94 H94 119.3 . . ?
C176 C94 C204 121.3(5) . . ?
C204 C94 H94 119.3 . . ?
O4 C96 C209 117.0(5) . . ?
O39 C96 O4 123.7(5) . . ?
O39 C96 C209 119.3(5) . . ?
C30 C98 C236 119.2(5) . . ?
C30 C98 C286 120.9(5) . . ?
C236 C98 C286 119.7(5) . . ?
C188 C100 C88 123.1(6) . . ?
C188 C100 C278 115.5(5) . . ?
C278 C100 C88 121.4(6) . . ?
C50 C102 C197 117.4(5) . . ?
C269 C102 C50 117.7(5) . . ?
C269 C102 C197 125.0(4) . . ?
O34 C104 O9 124.3(5) . . ?
O34 C104 C136 120.7(5) . . ?
O9 C104 C136 115.1(5) . . ?
C8 C106 C34 121.4(5) . . ?
C91 C106 C8 117.8(5) . . ?
C91 C106 C34 120.7(5) . . ?
C230 C110 H110 119.1 . . ?
C230 C110 C243 121.8(5) . . ?
C243 C110 H110 119.1 . . ?
C4 C112 H112 118.9 . . ?
N12 C112 C4 122.2(7) . . ?
N12 C112 H112 118.9 . . ?
C12 C114 H114 118.8 . . ?
C314 C114 C12 122.3(11) . . ?
C314 C114 H114 118.8 . . ?
C178 N14 Eu4 117.5(4) . . ?
C211 N14 Eu4 120.8(4) . . ?
C211 N14 C178 118.6(5) . . ?
C174 C116 H116 120.0 . . ?
C282 C116 H116 120.0 . . ?
C282 C116 C174 120.0(5) . . ?
C174 C118 H118 119.2 . . ?
C174 C118 C306 121.6(5) . . ?
C306 C118 H118 119.2 . . ?
C32 C120 H120 122.2 . . ?
C192 C120 C32 115.5(15) . . ?
C192 C120 H120 122.2 . . ?
C124 C122 H122 120.0 . . ?
C124 C122 C132 120.0 . . ?
C132 C122 H122 120.0 . . ?
C122 C124 C126 120.0 . . ?
C122 C124 C154 119.5(5) . . ?
C126 C124 C154 120.4(5) . . ?
C124 C126 H126 120.0 . . ?
C128 C126 C124 120.0 . . ?
C128 C126 H126 120.0 . . ?
C126 C128 H128 120.0 . . ?
C126 C128 C130 120.0 . . ?
C130 C128 H128 120.0 . . ?
C128 C130 C342 116.7(5) . . ?
C132 C130 C128 120.0 . . ?
C132 C130 C342 123.1(5) . . ?
C122 C132 H132 120.0 . . ?
C130 C132 C122 120.0 . . ?
C130 C132 H132 120.0 . . ?
H13D C134 H13E 109.5 . . ?
H13D C134 H13F 109.5 . . ?
H13E C134 H13F 109.5 . . ?
C35 C134 H13D 109.5 . . ?
C35 C134 H13E 109.5 . . ?
C35 C134 H13F 109.5 . . ?
C6 C136 C104 120.1(5) . . ?
C277 C136 C6 118.6(5) . . ?
C277 C136 C104 121.2(5) . . ?
C88 C138 H13G 109.5 . . ?
C88 C138 H13H 109.5 . . ?
C88 C138 H13I 109.5 . . ?
H13G C138 H13H 109.5 . . ?
H13G C138 H13I 109.5 . . ?
H13H C138 H13I 109.5 . . ?
C258 C140 C172 121.9(5) . . ?
C258 C140 C121 116.7(6) . . ?
C121 C140 C172 121.2(6) . . ?
C279 O49 Ti5 126.4(3) . . ?
C318 C142 H142 119.9 . . ?
C318 C142 C211 120.3(6) . . ?
C211 C142 H142 119.9 . . ?
C148 C144 H144 119.8 . . ?
C148 C144 C129 120.4(6) . . ?
C129 C144 H144 119.8 . . ?
C38 C146 C253 123.4(7) . . ?
C38 C146 C337 124.7(10) . . ?
C9 C146 C38 117.8(5) . . ?
C9 C146 C253 118.7(6) . . ?
C9 C146 C337 116.4(11) . . ?
C144 C148 C158 118.7(5) . . ?
C144 C148 C147 120.5(5) . . ?
C158 C148 C147 120.8(5) . . ?
C178 C150 H150 120.8 . . ?
C318 C150 H150 120.8 . . ?
C318 C150 C178 118.4(6) . . ?
C42 C152 H152 119.0 . . ?
C158 C152 C42 122.0(6) . . ?
C158 C152 H152 119.0 . . ?
O41 C154 O23 126.6(5) . . ?
O41 C154 C124 121.5(5) . . ?
O41 C154 C153 113.0(5) . . ?
O23 C154 C124 111.1(5) . . ?
O23 C154 C153 119.4(6) . . ?
C101 C156 H156 119.2 . . ?
C101 C156 C51 121.7(5) . . ?
C51 C156 H156 119.2 . . ?
C148 C158 H158 119.8 . . ?
C152 C158 C148 120.5(6) . . ?
C152 C158 H158 119.8 . . ?
C84 C160 H160 119.7 . . ?
C84 C160 C180 120.6(5) . . ?
C180 C160 H160 119.7 . . ?
H16A C162 H16B 109.5 . . ?
H16A C162 H16C 109.5 . . ?
H16B C162 H16C 109.5 . . ?
C25 C162 H16A 109.5 . . ?
C25 C162 H16B 109.5 . . ?
C25 C162 H16C 109.5 . . ?
C72 C164 H164 120.2 . . ?
C72 C164 C195 119.5(6) . . ?
C195 C164 H164 120.2 . . ?
O28 C166 O35 124.7(5) . . ?
O28 C166 C262 119.8(7) . . ?
O28 C166 C163 112.6(9) . . ?
O35 C166 C262 115.6(7) . . ?
O35 C166 C163 122.8(9) . . ?
C82 C168 C222 119.6(5) . . ?
C51 C168 C82 118.0(5) . . ?
C51 C168 C222 122.4(5) . . ?
H17A C170 H17B 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
C175 C170 H17A 109.5 . . ?
C175 C170 H17B 109.5 . . ?
C175 C170 H17C 109.5 . . ?
C190 C172 C140 110.9(5) . . ?
C190 C172 C202 110.2(7) . . ?
C190 C172 C215 108.4(7) . . ?
C202 C172 C140 108.2(6) . . ?
C215 C172 C140 111.2(6) . . ?
C215 C172 C202 107.9(8) . . ?
C116 C174 C1 120.2(5) . . ?
C118 C174 C1 121.4(5) . . ?
C118 C174 C116 118.3(5) . . ?
C28 C176 C94 120.4(5) . . ?
C28 C176 H176 119.8 . . ?
C94 C176 H176 119.8 . . ?
N14 C178 C150 123.0(6) . . ?
N14 C178 H178 118.5 . . ?
C150 C178 H178 118.5 . . ?
C80 C180 C160 122.0(5) . . ?
C80 C180 H180 119.0 . . ?
C160 C180 H180 119.0 . . ?
C30 C182 H182 119.0 . . ?
C336 C182 C30 121.9(5) . . ?
C336 C182 H182 119.0 . . ?
C314 C184 H184 120.6 . . ?
C273 C184 H184 120.6 . . ?
C273 C184 C314 118.8(11) . . ?
C100 C188 H188 118.9 . . ?
C100 C188 C256 122.2(6) . . ?
C256 C188 H188 118.9 . . ?
C172 C190 H19D 109.5 . . ?
C172 C190 H19E 109.5 . . ?
C172 C190 H19F 109.5 . . ?
H19D C190 H19E 109.5 . . ?
H19D C190 H19F 109.5 . . ?
H19E C190 H19F 109.5 . . ?
C120 C192 C227 116.7(10) . . ?
N9 C192 C120 126.8(10) . . ?
N9 C192 C227 116.5(5) . . ?
N9 C192 C325 115.9(9) . . ?
C325 C192 C227 127.4(8) . . ?
C236 C194 H194 118.8 . . ?
C236 C194 C336 122.3(5) . . ?
C336 C194 H194 118.8 . . ?
C204 C196 C231 109.6(5) . . ?
C204 C196 C295 107.9(5) . . ?
C232 C196 C204 113.2(5) . . ?
C232 C196 C231 109.9(6) . . ?
C232 C196 C295 107.6(5) . . ?
C231 C196 C295 108.5(6) . . ?
H19A C198 H19B 109.5 . . ?
H19A C198 H19C 109.5 . . ?
H19B C198 H19C 109.5 . . ?
C310 C198 H19A 109.5 . . ?
C310 C198 H19B 109.5 . . ?
C310 C198 H19C 109.5 . . ?
C56 C200 H20F 109.5 . . ?
C56 C200 H20G 109.5 . . ?
C56 C200 H20H 109.5 . . ?
H20F C200 H20G 109.5 . . ?
H20F C200 H20H 109.5 . . ?
H20G C200 H20H 109.5 . . ?
C172 C202 H20I 109.5 . . ?
C172 C202 H20J 109.5 . . ?
C172 C202 H20K 109.5 . . ?
H20I C202 H20J 109.5 . . ?
H20I C202 H20K 109.5 . . ?
H20J C202 H20K 109.5 . . ?
C46 C204 C94 117.1(5) . . ?
C46 C204 C196 120.2(5) . . ?
C94 C204 C196 122.7(5) . . ?
H20L C206 H20M 109.5 . . ?
H20L C206 H20N 109.5 . . ?
H20M C206 H20N 109.5 . . ?
C193 C206 H20L 109.5 . . ?
C193 C206 H20M 109.5 . . ?
C193 C206 H20N 109.5 . . ?
C49 C208 C314 112.3(9) . . ?
C49 C208 C241 109.4(8) . . ?
C49 C208 C247 107.6(11) . . ?
C241 C208 C314 109.7(7) . . ?
C241 C208 C247 109.4(10) . . ?
C247 C208 C314 108.4(8) . . ?
C90 C210 C296 119.6(5) . . ?
C281 C210 C90 119.6(5) . . ?
C281 C210 C296 120.7(5) . . ?
C300 C212 H212 119.2 . . ?
C348 C212 H212 119.2 . . ?
C348 C212 C300 121.7(6) . . ?
C87 C216 C14 120.1(5) . . ?
C87 C216 C45 118.8(5) . . ?
C45 C216 C14 121.0(5) . . ?
C26 C218 H218 120.4 . . ?
C260 C218 C26 119.1(6) . . ?
C260 C218 H218 120.4 . . ?
C308 C220 H220 119.8 . . ?
C308 C220 C330 120.5(6) . . ?
C330 C220 H220 119.8 . . ?
O22 C222 C168 115.5(5) . . ?
O52 C222 O22 124.2(5) . . ?
O52 C222 C168 120.3(5) . . ?
C223 C224 H224 120.4 . . ?
C245 C224 H224 120.4 . . ?
C245 C224 C223 119.1(5) . . ?
C40 C226 H22D 109.5 . . ?
C40 C226 H22E 109.5 . . ?
C40 C226 H22F 109.5 . . ?
H22D C226 H22E 109.5 . . ?
H22D C226 H22F 109.5 . . ?
H22E C226 H22F 109.5 . . ?
C68 C228 C137 123.6(5) . . ?
C229 C228 C68 117.6(6) . . ?
C229 C228 C137 118.6(5) . . ?
C110 C230 H230 119.8 . . ?
C110 C230 C288 120.3(5) . . ?
C288 C230 H230 119.8 . . ?
C196 C232 H23A 109.5 . . ?
C196 C232 H23B 109.5 . . ?
C196 C232 H23C 109.5 . . ?
H23A C232 H23B 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C298 C234 H234 119.8 . . ?
C209 C234 H234 119.8 . . ?
C209 C234 C298 120.3(5) . . ?
Ti1 O25 Eu1 126.08(19) . . ?
Ti8 O25 Eu1 123.42(17) . . ?
Ti8 O25 Ti1 98.56(16) . . ?
C98 C236 H236 120.3 . . ?
C194 C236 C98 119.5(5) . . ?
C194 C236 H236 120.3 . . ?
C264 C238 H238 119.2 . . ?
C264 C238 C187 121.6(5) . . ?
C187 C238 H238 119.2 . . ?
H24A C240 H24B 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
C284 C240 H24A 109.5 . . ?
C284 C240 H24B 109.5 . . ?
C284 C240 H24C 109.5 . . ?
H24D C242 H24E 109.5 . . ?
H24D C242 H24F 109.5 . . ?
H24E C242 H24F 109.5 . . ?
C246 C242 H24D 109.5 . . ?
C246 C242 H24E 109.5 . . ?
C246 C242 H24F 109.5 . . ?
C256 C244 C221 116.7(5) . . ?
C256 C244 C279 121.4(5) . . ?
C221 C244 C279 121.4(5) . . ?
C242 C246 C289 103.7(15) . . ?
C290 C246 C242 112.0(18) . . ?
C290 C246 C300 113.0(17) . . ?
C290 C246 C289 111.5(16) . . ?
C300 C246 C242 111.9(10) . . ?
C300 C246 C289 104.2(11) . . ?
C300 C246 C1A 108.6(7) . . ?
C74 C246 C300 113.4(10) . . ?
C74 C246 C1A 104.6(11) . . ?
C74 C246 C1B 110.3(12) . . ?
C1B C246 C300 111.0(10) . . ?
C1B C246 C1A 108.5(10) . . ?
C50 C248 C54 120.4(5) . . ?
C50 C248 H248 119.8 . . ?
C54 C248 H248 119.8 . . ?
C66 C250 H250 119.6 . . ?
C66 C250 C181 120.8(6) . . ?
C181 C250 H250 119.6 . . ?
C302 C252 C135 84.9(4) . . ?
C23 C252 C302 119.2(5) . . ?
C23 C252 C57 109.6(5) . . ?
C23 C252 C135 118.9(5) . . ?
C57 C252 C302 110.6(5) . . ?
C57 C252 C135 111.7(5) . . ?
N6 C254 H254 118.2 . . ?
N6 C254 C185 123.5(6) . . ?
C185 C254 H254 118.2 . . ?
C272 O51 Ti7 126.3(3) . . ?
C188 C256 H256 119.2 . . ?
C244 C256 C188 121.6(6) . . ?
C244 C256 H256 119.2 . . ?
C140 C258 H258 119.0 . . ?
C140 C258 C233 122.1(5) . . ?
C233 C258 H258 119.0 . . ?
C218 C260 H260 120.0 . . ?
C218 C260 C185 120.0(6) . . ?
C185 C260 H260 120.0 . . ?
C12 C262 C166 120.7(11) . . ?
C12 C262 C273 120.1(11) . . ?
C273 C262 C166 118.9(12) . . ?
C54 N16 Eu4 121.0(4) . . ?
C269 N16 Eu4 120.1(3) . . ?
C269 N16 C54 118.7(5) . . ?
C238 C264 H264 120.1 . . ?
C308 C264 C238 119.9(5) . . ?
C308 C264 H264 120.1 . . ?
C60 C266 C40 119.4(6) . . ?
C285 C266 C40 124.6(6) . . ?
C285 C266 C60 116.1(6) . . ?
C300 C268 H268 119.3 . . ?
C326 C268 H268 119.3 . . ?
C326 C268 C300 121.3(6) . . ?
C346 C270 C86 121.2(5) . . ?
C346 C270 C233 117.1(5) . . ?
C233 C270 C86 121.6(5) . . ?
O2 C272 C28 118.1(5) . . ?
O2 C272 O51 125.3(4) . . ?
O51 C272 C28 116.6(5) . . ?
C80 C274 H274 119.2 . . ?
C203 C274 C80 121.5(6) . . ?
C203 C274 H274 119.2 . . ?
H27A C276 H27B 108.2 . . ?
C302 C276 H27A 109.8 . . ?
C302 C276 H27B 109.8 . . ?
C302 C276 C245 109.5(5) . . ?
C245 C276 H27A 109.8 . . ?
C245 C276 H27B 109.8 . . ?
C100 C278 H278 118.3 . . ?
C100 C278 C221 123.3(6) . . ?
C221 C278 H278 118.3 . . ?
C298 C280 C310 123.7(5) . . ?
C298 C280 C261 117.4(5) . . ?
C261 C280 C310 118.8(5) . . ?
C116 C282 H282 119.0 . . ?
C13 C282 C116 122.0(5) . . ?
C13 C282 H282 119.0 . . ?
C80 C284 C89 109.3(5) . . ?
C80 C284 C225 111.5(6) . . ?
C240 C284 C80 109.4(6) . . ?
C240 C284 C89 108.1(7) . . ?
C240 C284 C225 112.0(7) . . ?
C89 C284 C225 106.5(6) . . ?
O48 C286 C98 114.8(5) . . ?
O31 C286 O48 124.6(5) . . ?
O31 C286 C98 120.5(4) . . ?
C230 C288 C179 119.5(5) . . ?
C95 C288 C230 119.0(5) . . ?
C95 C288 C179 121.5(5) . . ?
C246 C290 H29A 109.5 . . ?
C246 C290 H29B 109.5 . . ?
C246 C290 H29C 109.5 . . ?
H29A C290 H29B 109.5 . . ?
H29A C290 H29C 109.5 . . ?
H29B C290 H29C 109.5 . . ?
C326 C292 C22 120.0(5) . . ?
C348 C292 C22 122.0(5) . . ?
C348 C292 C326 117.9(5) . . ?
N8 C294 H294 117.8 . . ?
N8 C294 C133 124.3(6) . . ?
C133 C294 H294 117.8 . . ?
O10 C296 O16 124.8(5) . . ?
O10 C296 C210 119.8(5) . . ?
O16 C296 C210 115.4(4) . . ?
C234 C298 H298 119.2 . . ?
C280 C298 C234 121.7(5) . . ?
C280 C298 H298 119.2 . . ?
C212 C300 C246 121.4(6) . . ?
C268 C300 C212 117.0(6) . . ?
C268 C300 C246 121.6(6) . . ?
C252 C302 H302 114.7 . . ?
C276 C302 C252 113.1(5) . . ?
C276 C302 H302 114.7 . . ?
C276 C302 C67 107.9(5) . . ?
C67 C302 C252 88.9(4) . . ?
C67 C302 H302 114.7 . . ?
N4 C304 C18 115.4(5) . . ?
N4 C304 C113 122.6(5) . . ?
C113 C304 C18 122.0(5) . . ?
C118 C306 H306 119.3 . . ?
C118 C306 C13 121.4(5) . . ?
C13 C306 H306 119.3 . . ?
C220 C308 C76 119.5(5) . . ?
C220 C308 C264 119.6(5) . . ?
C264 C308 C76 120.9(5) . . ?
C192 N9 Eu3 117.6(4) . . ?
C37 N9 Eu3 121.6(4) . . ?
C37 N9 C192 119.1(6) . . ?
C20 C310 C198 108.2(6) . . ?
C20 C310 C280 110.6(5) . . ?
C20 C310 C320 108.9(6) . . ?
C198 C310 C280 108.9(5) . . ?
C320 C310 C198 108.3(6) . . ?
C320 C310 C280 111.8(5) . . ?
C316 C312 C187 111.2(7) . . ?
C316 C312 C55 107.5(7) . . ?
C316 C312 C143 107.3(8) . . ?
C55 C312 C187 110.3(6) . . ?
C143 C312 C187 108.7(6) . . ?
C143 C312 C55 111.9(8) . . ?
C114 C314 C184 118.1(8) . . ?
C114 C314 C208 120.1(10) . . ?
C184 C314 C208 121.8(10) . . ?
C312 C316 H31A 109.5 . . ?
C312 C316 H31B 109.5 . . ?
C312 C316 H31C 109.5 . . ?
H31A C316 H31B 109.5 . . ?
H31A C316 H31C 109.5 . . ?
H31B C316 H31C 109.5 . . ?
C142 C318 C150 118.5(6) . . ?
C142 C318 H318 120.7 . . ?
C150 C318 H318 120.7 . . ?
C310 C320 H32A 109.5 . . ?
C310 C320 H32B 109.5 . . ?
C310 C320 H32C 109.5 . . ?
H32A C320 H32B 109.5 . . ?
H32A C320 H32C 109.5 . . ?
H32B C320 H32C 109.5 . . ?
C181 C322 C25 119.5(5) . . ?
C99 C322 C181 117.4(6) . . ?
C99 C322 C25 123.1(6) . . ?
H32D C324 H32E 109.5 . . ?
H32D C324 H32F 109.5 . . ?
H32E C324 H32F 109.5 . . ?
C347 C324 H32D 109.5 . . ?
C347 C324 H32E 109.5 . . ?
C347 C324 H32F 109.5 . . ?
C268 C326 C292 121.2(6) . . ?
C268 C326 H326 119.4 . . ?
C292 C326 H326 119.4 . . ?
H32G C328 H32H 109.5 . . ?
H32G C328 H32I 109.5 . . ?
H32H C328 H32I 109.5 . . ?
C347 C328 H32G 109.5 . . ?
C347 C328 H32H 109.5 . . ?
C347 C328 H32I 109.5 . . ?
C220 C330 H330 119.2 . . ?
C187 C330 C220 121.6(6) . . ?
C187 C330 H330 119.2 . . ?
H33G C332 H33H 109.5 . . ?
H33G C332 H33I 109.5 . . ?
H33H C332 H33I 109.5 . . ?
C93 C332 H33G 109.5 . . ?
C93 C332 H33H 109.5 . . ?
C93 C332 H33I 109.5 . . ?
C82 C334 H334 118.8 . . ?
C82 C334 C101 122.4(6) . . ?
C101 C334 H334 118.8 . . ?
C182 C336 C194 116.9(5) . . ?
C182 C336 C93 121.1(5) . . ?
C194 C336 C93 122.1(5) . . ?
H33A C338 H33B 109.5 . . ?
H33A C338 H33C 109.5 . . ?
H33B C338 H33C 109.5 . . ?
C275 C338 H33A 109.5 . . ?
C275 C338 H33B 109.5 . . ?
C275 C338 H33C 109.5 . . ?
C255 C342 C130 110.3(7) . . ?
C255 C342 C73 108.8(8) . . ?
C73 C342 C130 109.3(8) . . ?
C301 C342 C130 108.7(8) . . ?
C301 C342 C255 106.9(8) . . ?
C301 C342 C73 112.9(13) . . ?
C50 C344 H34D 109.3 . . ?
C50 C344 H34E 109.3 . . ?
C50 C344 C17 111.4(5) . . ?
H34D C344 H34E 108.0 . . ?
C17 C344 H34D 109.3 . . ?
C17 C344 H34E 109.3 . . ?
C270 C346 H346 119.0 . . ?
C270 C346 C121 122.1(6) . . ?
C121 C346 H346 119.0 . . ?
C328 C347 C324 108.5(6) . . ?
C328 C347 C63 110.9(6) . . ?
C61 C347 C324 106.9(6) . . ?
C61 C347 C328 109.5(8) . . ?
C61 C347 C63 111.7(6) . . ?
C63 C347 C324 109.0(6) . . ?
C52 C87 H87 119.8 . . ?
C216 C87 C52 120.4(5) . . ?
C216 C87 H87 119.8 . . ?
C42 C175 C170 111.7(6) . . ?
C42 C175 C107 108.7(6) . . ?
C42 C175 C115 109.5(7) . . ?
C107 C175 C170 106.0(7) . . ?
C115 C175 C170 111.1(8) . . ?
C115 C175 C107 109.7(7) . . ?
C40 C11 H11F 109.5 . . ?
C40 C11 H11G 109.5 . . ?
C40 C11 H11H 109.5 . . ?
H11F C11 H11G 109.5 . . ?
H11F C11 H11H 109.5 . . ?
H11G C11 H11H 109.5 . . ?
H17I C177 H17J 109.5 . . ?
H17I C177 H17K 109.5 . . ?
H17J C177 H17K 109.5 . . ?
C93 C177 H17I 109.5 . . ?
C93 C177 H17J 109.5 . . ?
C93 C177 H17K 109.5 . . ?
C284 C89 H89A 109.5 . . ?
C284 C89 H89B 109.5 . . ?
C284 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
O50 C179 C288 116.5(5) . . ?
O45 C179 O50 124.2(5) . . ?
O45 C179 C288 119.2(5) . . ?
C216 C45 H45 120.0 . . ?
C125 C45 C216 120.1(6) . . ?
C125 C45 H45 120.0 . . ?
C250 C181 H181 119.5 . . ?
C322 C181 C250 121.0(6) . . ?
C322 C181 H181 119.5 . . ?
C106 C91 H91 119.8 . . ?
C106 C91 C229 120.4(5) . . ?
C229 C91 H91 119.8 . . ?
H18A C183 H18B 111.4 . . ?
C197 C183 H18A 114.3 . . ?
C197 C183 H18B 114.3 . . ?
C197 C183 C17 86.1(4) . . ?
C17 C183 H18A 114.3 . . ?
C17 C183 H18B 114.3 . . ?
C252 C23 H23J 109.5 . . ?
C252 C23 H23K 109.5 . . ?
C252 C23 H23L 109.5 . . ?
H23J C23 H23K 109.5 . . ?
H23J C23 H23L 109.5 . . ?
H23K C23 H23L 109.5 . . ?
C254 C185 H185 121.0 . . ?
C260 C185 C254 117.9(6) . . ?
C260 C185 H185 121.0 . . ?
C332 C93 C336 112.4(5) . . ?
C332 C93 C177 108.2(6) . . ?
C332 C93 C7 110.1(6) . . ?
C336 C93 C177 106.7(5) . . ?
C7 C93 C336 112.5(5) . . ?
C7 C93 C177 106.6(6) . . ?
C238 C187 C312 119.9(6) . . ?
C330 C187 C238 116.9(6) . . ?
C330 C187 C312 123.2(6) . . ?
O32 C47 O11 124.8(5) . . ?
O32 C47 C84 118.8(5) . . ?
O11 C47 C84 116.4(4) . . ?
C288 C95 H95 120.3 . . ?
C288 C95 C271 119.4(5) . . ?
C271 C95 H95 120.3 . . ?
H19G C191 H19H 109.5 . . ?
H19G C191 H19I 109.5 . . ?
H19H C191 H19I 109.5 . . ?
C137 C191 H19G 109.5 . . ?
C137 C191 H19H 109.5 . . ?
C137 C191 H19I 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C275 C3 H3A 109.5 . . ?
C275 C3 H3B 109.5 . . ?
C275 C3 H3C 109.5 . . ?
C78 C193 C145 107.2(5) . . ?
C206 C193 C78 108.4(5) . . ?
C206 C193 C13 108.9(5) . . ?
C206 C193 C145 110.4(5) . . ?
C13 C193 C78 112.2(5) . . ?
C13 C193 C145 109.7(5) . . ?
C209 C97 H97 120.3 . . ?
C261 C97 H97 120.3 . . ?
C261 C97 C209 119.5(5) . . ?
C48 C195 C164 122.1(6) . . ?
C48 C195 H195 119.0 . . ?
C164 C195 H195 119.0 . . ?
C208 C49 H49A 109.5 . . ?
C208 C49 H49B 109.5 . . ?
C208 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C102 C197 C183 106.7(4) . . ?
C102 C197 H197 116.4 . . ?
C102 C197 C29 109.4(4) . . ?
C183 C197 H197 116.4 . . ?
C183 C197 C29 87.6(4) . . ?
C29 C197 H197 116.4 . . ?
C44 C99 H99 118.9 . . ?
C322 C99 C44 122.2(6) . . ?
C322 C99 H99 118.9 . . ?
C58 C199 H199 120.0 . . ?
C58 C199 C227 120.0(7) . . ?
C227 C199 H199 120.0 . . ?
C322 C25 C162 106.3(6) . . ?
C239 C25 C162 107.0(6) . . ?
C239 C25 C322 111.2(5) . . ?
C287 C25 C162 111.9(8) . . ?
C287 C25 C322 110.9(6) . . ?
C287 C25 C239 109.4(8) . . ?
C88 C201 H20O 109.5 . . ?
C88 C201 H20P 109.5 . . ?
C88 C201 H20Q 109.5 . . ?
H20O C201 H20P 109.5 . . ?
H20O C201 H20Q 109.5 . . ?
H20P C201 H20Q 109.5 . . ?
C156 C101 C334 116.1(5) . . ?
C156 C101 C275 123.8(6) . . ?
C334 C101 C275 120.1(6) . . ?
C84 C203 H203 119.5 . . ?
C274 C203 C84 120.9(6) . . ?
C274 C203 H203 119.5 . . ?
C156 C51 H51 119.5 . . ?
C168 C51 C156 121.0(5) . . ?
C168 C51 H51 119.5 . . ?
C123 C205 C267 121.6(6) . . ?
C257 C205 C123 118.0(5) . . ?
C257 C205 C267 120.4(6) . . ?
H10A C103 H10B 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
C275 C103 H10A 109.5 . . ?
C275 C103 H10B 109.5 . . ?
C275 C103 H10C 109.5 . . ?
H20D C207 H20E 111.0 . . ?
C253 C207 H20D 113.8 . . ?
C253 C207 H20E 113.8 . . ?
C2 C207 H20D 113.8 . . ?
C2 C207 H20E 113.8 . . ?
C2 C207 C253 89.0(9) . . ?
C282 C13 C306 116.6(5) . . ?
C282 C13 C193 120.9(5) . . ?
C306 C13 C193 122.4(5) . . ?
C234 C209 C96 121.2(5) . . ?
C234 C209 C97 119.2(5) . . ?
C97 C209 C96 119.6(5) . . ?
O26 C105 C66 116.0(4) . . ?
O3 C105 O26 124.8(5) . . ?
O3 C105 C66 119.2(5) . . ?
N14 C211 C54 116.8(5) . . ?
N14 C211 C142 120.9(6) . . ?
C142 C211 C54 122.2(5) . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C137 C53 H53A 109.5 . . ?
C137 C53 H53B 109.5 . . ?
C137 C53 H53C 109.5 . . ?
C88 C213 H21C 109.5 . . ?
C88 C213 H21D 109.5 . . ?
C88 C213 H21E 109.5 . . ?
H21C C213 H21D 109.5 . . ?
H21C C213 H21E 109.5 . . ?
H21D C213 H21E 109.5 . . ?
C175 C107 H10D 109.5 . . ?
C175 C107 H10E 109.5 . . ?
C175 C107 H10F 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C172 C215 H21F 109.5 . . ?
C172 C215 H21G 109.5 . . ?
C172 C215 H21H 109.5 . . ?
H21F C215 H21G 109.5 . . ?
H21F C215 H21H 109.5 . . ?
H21G C215 H21H 109.5 . . ?
H21I C217 H21J 109.5 . . ?
H21I C217 H21K 109.5 . . ?
H21J C217 H21K 109.5 . . ?
C267 C217 H21I 109.5 . . ?
C267 C217 H21J 109.5 . . ?
C267 C217 H21K 109.5 . . ?
C312 C55 H55A 109.5 . . ?
C312 C55 H55B 109.5 . . ?
C312 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C244 C221 C278 120.4(6) . . ?
C244 C221 H221 119.8 . . ?
C278 C221 H221 119.8 . . ?
C32 C111 H11A 109.8 . . ?
C32 C111 H11B 109.8 . . ?
H11A C111 H11B 108.3 . . ?
C299 C111 C32 109.3(12) . . ?
C299 C111 H11A 109.8 . . ?
C299 C111 H11B 109.8 . . ?
N1 C223 C26 116.9(5) . . ?
N1 C223 C224 121.5(5) . . ?
C224 C223 C26 121.6(5) . . ?
C93 C7 H7A 109.5 . . ?
C93 C7 H7B 109.5 . . ?
C93 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C284 C225 H22A 109.5 . . ?
C284 C225 H22B 109.5 . . ?
C284 C225 H22C 109.5 . . ?
H22A C225 H22B 109.5 . . ?
H22A C225 H22C 109.5 . . ?
H22B C225 H22C 109.5 . . ?
C304 C113 H113 120.8 . . ?
C9 C113 C304 118.4(5) . . ?
C9 C113 H113 120.8 . . ?
N12 C227 C192 115.4(5) . . ?
N12 C227 C199 121.6(6) . . ?
C199 C227 C192 123.0(6) . . ?
C252 C57 H57A 109.5 . . ?
C252 C57 H57B 109.5 . . ?
C252 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C228 C229 C91 122.0(5) . . ?
C228 C229 H229 119.0 . . ?
C91 C229 H229 119.0 . . ?
C175 C115 H11C 109.5 . . ?
C175 C115 H11D 109.5 . . ?
C175 C115 H11E 109.5 . . ?
H11C C115 H11D 109.5 . . ?
H11C C115 H11E 109.5 . . ?
H11D C115 H11E 109.5 . . ?
C196 C231 H23D 109.5 . . ?
C196 C231 H23E 109.5 . . ?
C196 C231 H23F 109.5 . . ?
H23D C231 H23E 109.5 . . ?
H23D C231 H23F 109.5 . . ?
H23E C231 H23F 109.5 . . ?
C16 C29 C197 117.4(5) . . ?
C16 C29 C33 109.1(5) . . ?
C16 C29 C17 120.1(6) . . ?
C197 C29 C17 85.5(4) . . ?
C33 C29 C197 111.4(5) . . ?
C33 C29 C17 111.7(5) . . ?
C258 C233 C270 120.6(6) . . ?
C258 C233 H233 119.7 . . ?
C270 C233 H233 119.7 . . ?
C32 C235 C131 112.8(12) . . ?
C32 C235 C37 123.3(12) . . ?
C37 C235 C131 123.8(13) . . ?
C131 C59 C151 120.5(15) . . ?
C299 C59 C131 85.7(13) . . ?
C299 C59 C151 117.4(18) . . ?
C303 C59 C131 118.4(19) . . ?
C303 C59 C299 111.9(14) . . ?
C303 C59 C151 103.0(16) . . ?
C25 C239 H23G 109.5 . . ?
C25 C239 H23H 109.5 . . ?
C25 C239 H23I 109.5 . . ?
H23G C239 H23H 109.5 . . ?
H23G C239 H23I 109.5 . . ?
H23H C239 H23I 109.5 . . ?
C212 C348 H348 119.6 . . ?
C292 C348 C212 120.8(6) . . ?
C292 C348 H348 119.6 . . ?
C208 C241 H24G 109.5 . . ?
C208 C241 H24H 109.5 . . ?
C208 C241 H24I 109.5 . . ?
H24G C241 H24H 109.5 . . ?
H24G C241 H24I 109.5 . . ?
H24H C241 H24I 109.5 . . ?
C140 C121 H121 119.4 . . ?
C346 C121 C140 121.3(6) . . ?
C346 C121 H121 119.4 . . ?
C110 C243 C35 119.2(5) . . ?
C271 C243 C110 117.3(5) . . ?
C271 C243 C35 123.6(5) . . ?
C347 C61 H61A 109.5 . . ?
C347 C61 H61B 109.5 . . ?
C347 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C224 C245 C276 122.8(5) . . ?
C224 C245 C141 119.6(5) . . ?
C141 C245 C276 117.5(5) . . ?
C205 C123 H123 119.6 . . ?
C205 C123 C277 120.9(6) . . ?
C277 C123 H123 119.6 . . ?
C208 C247 H24J 109.5 . . ?
C208 C247 H24K 109.5 . . ?
C208 C247 H24L 109.5 . . ?
H24J C247 H24K 109.5 . . ?
H24J C247 H24L 109.5 . . ?
H24K C247 H24L 109.5 . . ?
H31I C31 H31J 109.5 . . ?
H31I C31 H31K 109.5 . . ?
H31J C31 H31K 109.5 . . ?
C137 C31 H31I 109.5 . . ?
C137 C31 H31J 109.5 . . ?
C137 C31 H31K 109.5 . . ?
C45 C125 H125 119.0 . . ?
C45 C125 C63 122.0(5) . . ?
C63 C125 H125 119.0 . . ?
H25A C251 H25B 108.3 . . ?
C2 C251 H25A 109.8 . . ?
C2 C251 H25B 109.8 . . ?
C9 C251 H25A 109.8 . . ?
C9 C251 H25B 109.8 . . ?
C9 C251 C2 109.3(8) . . ?
C52 C63 C347 123.3(6) . . ?
C52 C63 C125 117.3(6) . . ?
C125 C63 C347 119.4(5) . . ?
C146 C253 C207 106.4(8) . . ?
C146 C253 H253 116.8 . . ?
C146 C253 C291 110.5(7) . . ?
C207 C253 H253 116.8 . . ?
C207 C253 C291 84.9(7) . . ?
C291 C253 H253 116.8 . . ?
H12A C127 H12B 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C35 C127 H12A 109.5 . . ?
C35 C127 H12B 109.5 . . ?
C35 C127 H12C 109.5 . . ?
C342 C255 H25C 109.5 . . ?
C342 C255 H25D 109.5 . . ?
C342 C255 H25E 109.5 . . ?
H25C C255 H25D 109.5 . . ?
H25C C255 H25E 109.5 . . ?
H25D C255 H25E 109.5 . . ?
C207 C2 C251 111.4(8) . . ?
C207 C2 H2 115.0 . . ?
C207 C2 C291 85.0(7) . . ?
C251 C2 H2 115.0 . . ?
C251 C2 C291 111.9(9) . . ?
C291 C2 H2 115.0 . . ?
C6 C257 H257 118.7 . . ?
C205 C257 C6 122.6(6) . . ?
C205 C257 H257 118.7 . . ?
C42 C129 C144 121.6(6) . . ?
C42 C129 H129 119.2 . . ?
C144 C129 H129 119.2 . . ?
H65A C65 H65B 111.0 . . ?
C131 C65 H65A 113.8 . . ?
C131 C65 H65B 113.8 . . ?
C131 C65 C299 89.2(15) . . ?
C299 C65 H65A 113.8 . . ?
C299 C65 H65B 113.8 . . ?
C280 C261 H261 119.1 . . ?
C97 C261 C280 121.8(6) . . ?
C97 C261 H261 119.1 . . ?
C235 C131 C59 111.7(17) . . ?
C235 C131 H131 116.3 . . ?
C59 C131 H131 116.3 . . ?
C65 C131 C235 107.9(14) . . ?
C65 C131 C59 84.1(13) . . ?
C65 C131 H131 116.3 . . ?
C36 C263 H263 120.1 . . ?
C133 C263 C36 119.8(6) . . ?
C133 C263 H263 120.1 . . ?
C29 C33 H33J 109.5 . . ?
C29 C33 H33K 109.5 . . ?
C29 C33 H33L 109.5 . . ?
H33J C33 H33K 109.5 . . ?
H33J C33 H33L 109.5 . . ?
H33K C33 H33L 109.5 . . ?
C56 C265 H26A 109.5 . . ?
C56 C265 H26B 109.5 . . ?
C56 C265 H26C 109.5 . . ?
H26A C265 H26B 109.5 . . ?
H26A C265 H26C 109.5 . . ?
H26B C265 H26C 109.5 . . ?
C294 C133 H133 121.6 . . ?
C263 C133 C294 116.9(6) . . ?
C263 C133 H133 121.6 . . ?
C217 C267 C205 107.9(6) . . ?
C69 C267 C205 113.1(6) . . ?
C69 C267 C217 108.7(7) . . ?
C69 C267 C293 109.7(7) . . ?
C293 C267 C205 108.4(6) . . ?
C293 C267 C217 108.9(7) . . ?
C302 C67 H67A 114.5 . . ?
C302 C67 H67B 114.5 . . ?
C302 C67 C135 84.9(4) . . ?
H67A C67 H67B 111.6 . . ?
C135 C67 H67A 114.5 . . ?
C135 C67 H67B 114.5 . . ?
C102 C269 H269 118.0 . . ?
N16 C269 C102 124.0(5) . . ?
N16 C269 H269 118.0 . . ?
C252 C135 C67 88.1(4) . . ?
C252 C135 H135 116.8 . . ?
C67 C135 H135 116.8 . . ?
C141 C135 C252 109.3(4) . . ?
C141 C135 C67 105.3(4) . . ?
C141 C135 H135 116.8 . . ?
C95 C271 H271 118.9 . . ?
C243 C271 C95 122.2(6) . . ?
C243 C271 H271 118.9 . . ?
C344 C17 C183 108.1(5) . . ?
C344 C17 C29 111.5(5) . . ?
C344 C17 H17 115.6 . . ?
C183 C17 C29 87.0(4) . . ?
C183 C17 H17 115.6 . . ?
C29 C17 H17 115.6 . . ?
C184 C273 H273 119.3 . . ?
C262 C273 C184 121.4(11) . . ?
C262 C273 H273 119.3 . . ?
C228 C137 C191 110.9(5) . . ?
C53 C137 C228 110.7(5) . . ?
C53 C137 C191 104.4(6) . . ?
C31 C137 C228 108.7(6) . . ?
C31 C137 C191 111.5(6) . . ?
C31 C137 C53 110.6(7) . . ?
C338 C275 C3 107.3(8) . . ?
C338 C275 C101 111.7(8) . . ?
C338 C275 C103 109.1(10) . . ?
C3 C275 C101 111.5(7) . . ?
C3 C275 C103 110.5(8) . . ?
C103 C275 C101 106.7(7) . . ?
C43 C275 C101 106.3(19) . . ?
C43 C275 C345 108.8(10) . . ?
C43 C275 C173 108.6(10) . . ?
C345 C275 C101 111.4(18) . . ?
C345 C275 C173 108.8(10) . . ?
C173 C275 C101 113(2) . . ?
C267 C69 H69A 109.5 . . ?
C267 C69 H69B 109.5 . . ?
C267 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C136 C277 C123 120.6(6) . . ?
C136 C277 H277 119.7 . . ?
C123 C277 H277 119.7 . . ?
H13A C139 H13B 109.5 . . ?
H13A C139 H13C 109.5 . . ?
H13B C139 H13C 109.5 . . ?
C291 C139 H13A 109.5 . . ?
C291 C139 H13B 109.5 . . ?
C291 C139 H13C 109.5 . . ?
O46 C279 O49 124.7(5) . . ?
O46 C279 C244 118.7(5) . . ?
O49 C279 C244 116.5(5) . . ?
C134 C35 C243 109.3(5) . . ?
C134 C35 C127 109.5(5) . . ?
C243 C35 C127 109.5(5) . . ?
C71 C35 C134 109.7(6) . . ?
C71 C35 C243 111.7(5) . . ?
C71 C35 C127 107.3(6) . . ?
C210 C281 H281 120.4 . . ?
C210 C281 C285 119.2(6) . . ?
C285 C281 H281 120.4 . . ?
C62 C141 C135 124.2(4) . . ?
C245 C141 C62 117.4(5) . . ?
C245 C141 C135 118.2(4) . . ?
C40 C283 H28G 109.5 . . ?
C40 C283 H28H 109.5 . . ?
C40 C283 H28I 109.5 . . ?
H28G C283 H28H 109.5 . . ?
H28G C283 H28I 109.5 . . ?
H28H C283 H28I 109.5 . . ?
C35 C71 H71A 109.5 . . ?
C35 C71 H71B 109.5 . . ?
C35 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C266 C285 H285 118.5 . . ?
C281 C285 C266 122.9(6) . . ?
C281 C285 H285 118.5 . . ?
C312 C143 H14A 109.5 . . ?
C312 C143 H14B 109.5 . . ?
C312 C143 H14C 109.5 . . ?
H14A C143 H14B 109.5 . . ?
H14A C143 H14C 109.5 . . ?
H14B C143 H14C 109.5 . . ?
C25 C287 H28A 109.5 . . ?
C25 C287 H28B 109.5 . . ?
C25 C287 H28C 109.5 . . ?
H28A C287 H28B 109.5 . . ?
H28A C287 H28C 109.5 . . ?
H28B C287 H28C 109.5 . . ?
C146 C9 C251 117.7(6) . . ?
C146 C9 C171 118.9(10) . . ?
C113 C9 C146 119.9(6) . . ?
C113 C9 C251 122.1(6) . . ?
C113 C9 C171 119.6(10) . . ?
C246 C289 H28D 109.5 . . ?
C246 C289 H28E 109.5 . . ?
C246 C289 H28F 109.5 . . ?
H28D C289 H28E 109.5 . . ?
H28D C289 H28F 109.5 . . ?
H28E C289 H28F 109.5 . . ?
C193 C145 H14D 109.5 . . ?
C193 C145 H14E 109.5 . . ?
C193 C145 H14F 109.5 . . ?
H14D C145 H14E 109.5 . . ?
H14D C145 H14F 109.5 . . ?
H14E C145 H14F 109.5 . . ?
C253 C291 C2 85.6(8) . . ?
C139 C291 C253 116.7(8) . . ?
C139 C291 C2 119.9(8) . . ?
C297 C291 C253 113.4(8) . . ?
C297 C291 C2 114.4(9) . . ?
C297 C291 C139 106.2(10) . . ?
C342 C73 H73A 109.5 . . ?
C342 C73 H73B 109.5 . . ?
C342 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C267 C293 H29J 109.5 . . ?
C267 C293 H29K 109.5 . . ?
C267 C293 H29L 109.5 . . ?
H29J C293 H29K 109.5 . . ?
H29J C293 H29L 109.5 . . ?
H29K C293 H29L 109.5 . . ?
O21 C147 O43 125.9(5) . . ?
O21 C147 C148 119.1(5) . . ?
O43 C147 C148 114.9(5) . . ?
C196 C295 H29D 109.5 . . ?
C196 C295 H29E 109.5 . . ?
C196 C295 H29F 109.5 . . ?
H29D C295 H29E 109.5 . . ?
H29D C295 H29F 109.5 . . ?
H29E C295 H29F 109.5 . . ?
N9 C37 C235 116.2(9) . . ?
N9 C37 H37 121.9 . . ?
N9 C37 H37A 116.7 . . ?
N9 C37 C79 126.6(8) . . ?
C235 C37 H37 121.9 . . ?
C79 C37 H37A 116.7 . . ?
C291 C297 H29G 109.5 . . ?
C291 C297 H29H 109.5 . . ?
C291 C297 H29I 109.5 . . ?
H29G C297 H29H 109.5 . . ?
H29G C297 H29I 109.5 . . ?
H29H C297 H29I 109.5 . . ?
C111 C299 C59 112.3(14) . . ?
C111 C299 C65 109.6(16) . . ?
C111 C299 H299 115.1 . . ?
C59 C299 C65 86.5(13) . . ?
C59 C299 H299 115.1 . . ?
C65 C299 H299 115.1 . . ?
C342 C301 H30A 109.5 . . ?
C342 C301 H30B 109.5 . . ?
C342 C301 H30C 109.5 . . ?
H30A C301 H30B 109.5 . . ?
H30A C301 H30C 109.5 . . ?
H30B C301 H30C 109.5 . . ?
C59 C151 H15A 109.5 . . ?
C59 C151 H15B 109.5 . . ?
C59 C151 H15C 109.5 . . ?
H15A C151 H15B 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C59 C303 H30D 109.5 . . ?
C59 C303 H30E 109.5 . . ?
C59 C303 H30F 109.5 . . ?
H30D C303 H30E 109.5 . . ?
H30D C303 H30F 109.5 . . ?
H30E C303 H30F 109.5 . . ?
C307 C153 C154 119.3(5) . . ?
C307 C153 C311 120.0 . . ?
C311 C153 C154 120.4(6) . . ?
C153 C307 H307 120.0 . . ?
C153 C307 C77 120.0 . . ?
C77 C307 H307 120.0 . . ?
C307 C77 H77 120.0 . . ?
C309 C77 C307 120.0 . . ?
C309 C77 H77 120.0 . . ?
C77 C309 C155 120.0 . . ?
C77 C309 C313 120.7(6) . . ?
C155 C309 C313 119.2(6) . . ?
C309 C155 H155 120.0 . . ?
C311 C155 C309 120.0 . . ?
C311 C155 H155 120.0 . . ?
C153 C311 H311 120.0 . . ?
C155 C311 C153 120.0 . . ?
C155 C311 H311 120.0 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C313 C39 H39A 109.5 . . ?
C313 C39 H39B 109.5 . . ?
C313 C39 H39C 109.5 . . ?
C309 C313 C39 107.8(8) . . ?
C309 C313 C315 114.5(9) . . ?
C39 C313 C315 108.5(9) . . ?
C157 C313 C309 109.2(8) . . ?
C157 C313 C39 109.7(15) . . ?
C157 C313 C315 107.1(9) . . ?
C313 C157 H15D 109.5 . . ?
C313 C157 H15E 109.5 . . ?
C313 C157 H15F 109.5 . . ?
H15D C157 H15E 109.5 . . ?
H15D C157 H15F 109.5 . . ?
H15E C157 H15F 109.5 . . ?
C313 C315 H31D 109.5 . . ?
C313 C315 H31E 109.5 . . ?
C313 C315 H31F 109.5 . . ?
H31D C315 H31E 109.5 . . ?
H31D C315 H31F 109.5 . . ?
H31E C315 H31F 109.5 . . ?
C37 C79 C317 115.8(10) . . ?
C37 C79 C5 124.6(11) . . ?
C317 C79 C5 119.5(10) . . ?
C79 C317 C159 115.0(11) . . ?
C325 C317 C79 117.2(10) . . ?
C325 C317 C159 127.7(12) . . ?
C317 C159 H15G 109.3 . . ?
C317 C159 H15H 109.3 . . ?
H15G C159 H15H 107.9 . . ?
C161 C159 C317 111.7(11) . . ?
C161 C159 H15G 109.3 . . ?
C161 C159 H15H 109.3 . . ?
H31G C319 H31H 111.1 . . ?
C5 C319 H31G 113.8 . . ?
C5 C319 H31H 113.8 . . ?
C161 C319 H31G 113.8 . . ?
C161 C319 H31H 113.8 . . ?
C161 C319 C5 88.9(13) . . ?
C79 C5 C319 106.0(10) . . ?
C79 C5 H5 117.4 . . ?
C79 C5 C321 108.8(13) . . ?
C319 C5 H5 117.4 . . ?
C319 C5 C321 84.9(10) . . ?
C321 C5 H5 117.4 . . ?
C5 C321 C81 114.5(12) . . ?
C161 C321 C5 84.4(10) . . ?
C161 C321 C81 119.1(14) . . ?
C323 C321 C5 113.6(14) . . ?
C323 C321 C161 113.5(12) . . ?
C323 C321 C81 109.7(14) . . ?
C159 C161 C321 112.2(13) . . ?
C159 C161 H161 114.6 . . ?
C319 C161 C159 110.5(13) . . ?
C319 C161 C321 87.3(11) . . ?
C319 C161 H161 114.6 . . ?
C321 C161 H161 114.6 . . ?
C321 C323 H32J 109.5 . . ?
C321 C323 H32K 109.5 . . ?
C321 C323 H32L 109.5 . . ?
H32J C323 H32K 109.5 . . ?
H32J C323 H32L 109.5 . . ?
H32K C323 H32L 109.5 . . ?
C321 C81 H81A 109.5 . . ?
C321 C81 H81B 109.5 . . ?
C321 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C192 C325 H325 117.9 . . ?
C317 C325 C192 124.2(13) . . ?
C317 C325 H325 117.9 . . ?
C327 C163 C166 118.3(14) . . ?
C327 C163 C331 120.6(14) . . ?
C331 C163 C166 119.5(15) . . ?
C163 C327 H327 120.2 . . ?
C163 C327 C41 119.6(15) . . ?
C41 C327 H327 120.2 . . ?
C327 C41 H41 119.2 . . ?
C329 C41 C327 121.6(14) . . ?
C329 C41 H41 119.2 . . ?
C41 C329 C165 117.7(10) . . ?
C41 C329 C333 124.8(12) . . ?
C165 C329 C333 117.5(11) . . ?
C329 C165 H165 119.8 . . ?
C331 C165 C329 120.3(13) . . ?
C331 C165 H165 119.8 . . ?
C163 C331 H331 120.2 . . ?
C165 C331 C163 119.5(14) . . ?
C165 C331 H331 120.2 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C333 C83 H83A 109.5 . . ?
C333 C83 H83B 109.5 . . ?
C333 C83 H83C 109.5 . . ?
C329 C333 C83 108.9(9) . . ?
C167 C333 C329 110.8(9) . . ?
C167 C333 C83 108.9(14) . . ?
C335 C333 C329 109.3(12) . . ?
C335 C333 C83 107.9(13) . . ?
C335 C333 C167 111.0(10) . . ?
C333 C167 H16G 109.5 . . ?
C333 C167 H16H 109.5 . . ?
C333 C167 H16I 109.5 . . ?
H16G C167 H16H 109.5 . . ?
H16G C167 H16I 109.5 . . ?
H16H C167 H16I 109.5 . . ?
C333 C335 H33M 109.5 . . ?
C333 C335 H33N 109.5 . . ?
C333 C335 H33O 109.5 . . ?
H33M C335 H33N 109.5 . . ?
H33M C335 H33O 109.5 . . ?
H33N C335 H33O 109.5 . . ?
H21A C21 H21B 110.7 . . ?
C337 C21 H21A 113.4 . . ?
C337 C21 H21B 113.4 . . ?
C337 C21 C341 91.3(16) . . ?
C341 C21 H21A 113.4 . . ?
C341 C21 H21B 113.4 . . ?
C146 C337 H337 116.2 . . ?
C146 C337 C169 109.9(16) . . ?
C21 C337 C146 111.0(18) . . ?
C21 C337 H337 116.2 . . ?
C21 C337 C169 82.6(15) . . ?
C169 C337 H337 116.2 . . ?
C337 C169 C85 115.0(18) . . ?
C337 C169 C341 87.0(14) . . ?
C339 C169 C337 112.4(17) . . ?
C339 C169 C85 109(2) . . ?
C339 C169 C341 119(2) . . ?
C85 C169 C341 114.1(18) . . ?
C169 C339 H33D 109.5 . . ?
C169 C339 H33E 109.5 . . ?
C169 C339 H33F 109.5 . . ?
H33D C339 H33E 109.5 . . ?
H33D C339 H33F 109.5 . . ?
H33E C339 H33F 109.5 . . ?
C169 C85 H85A 109.5 . . ?
C169 C85 H85B 109.5 . . ?
C169 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C21 C341 C169 82.3(14) . . ?
C21 C341 H341 116.1 . . ?
C21 C341 C171 110.8(18) . . ?
C169 C341 H341 116.1 . . ?
C171 C341 C169 110.9(19) . . ?
C171 C341 H341 116.1 . . ?
C9 C171 C341 110.7(16) . . ?
C9 C171 H17D 109.5 . . ?
C9 C171 H17E 109.5 . . ?
C341 C171 H17D 109.5 . . ?
C341 C171 H17E 109.5 . . ?
H17D C171 H17E 108.1 . . ?
C275 C43 H43A 109.5 . . ?
C275 C43 H43B 109.5 . . ?
C275 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C275 C345 H34A 109.5 . . ?
C275 C345 H34B 109.5 . . ?
C275 C345 H34C 109.5 . . ?
H34A C345 H34B 109.5 . . ?
H34A C345 H34C 109.5 . . ?
H34B C345 H34C 109.5 . . ?
C275 C173 H17F 109.5 . . ?
C275 C173 H17G 109.5 . . ?
C275 C173 H17H 109.5 . . ?
H17F C173 H17G 109.5 . . ?
H17F C173 H17H 109.5 . . ?
H17G C173 H17H 109.5 . . ?
C246 C74 H74A 109.5 . . ?
C246 C74 H74B 109.5 . . ?
C246 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C246 C1A H1AA 109.5 . . ?
C246 C1A H1AB 109.5 . . ?
C246 C1A H1AC 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C246 C1B H1BA 109.5 . . ?
C246 C1B H1BB 109.5 . . ?
C246 C1B H1BC 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 Ti1 O12 Ti2 -52.3(3) . . . . ?
Eu1 Ti1 O25 Ti8 143.0(3) . . . . ?
Eu1 Ti8 O5 Ti7 63.6(3) . . . . ?
Eu1 Ti8 O25 Ti1 -144.4(3) . . . . ?
Eu1 Ti2 O8 Eu3 -107.43(17) . . . . ?
Eu1 Ti2 O8 Ti7 36.25(15) . . . . ?
Eu1 Ti2 O12 Ti1 51.9(3) . . . . ?
Eu1 Ti7 O8 Eu3 105.24(18) . . . . ?
Eu1 Ti7 O8 Ti2 -37.34(16) . . . . ?
Eu1 Ti7 O5 Ti8 -63.1(3) . . . . ?
Eu1 O52 C222 O22 -40.5(8) . . . . ?
Eu1 O52 C222 C168 137.5(4) . . . . ?
Eu1 O13 C14 O20 37.7(7) . . . . ?
Eu1 O13 C14 C216 -142.1(4) . . . . ?
Eu1 O2 C272 C28 -148.0(4) . . . . ?
Eu1 O2 C272 O51 31.9(9) . . . . ?
Eu1 O17 C76 O42 15.9(8) . . . . ?
Eu1 O17 C76 C308 -163.9(4) . . . . ?
Eu1 N4 C38 C146 -163.6(5) . . . . ?
Eu1 N4 C304 C18 -16.4(6) . . . . ?
Eu1 N4 C304 C113 164.6(4) . . . . ?
Eu1 N8 C294 C133 157.9(4) . . . . ?
Eu4 Ti4 O29 Ti6 63.2(3) . . . . ?
Eu4 Ti4 O15 Ti5 -143.1(3) . . . . ?
Eu4 Ti6 O36 Eu2 106.62(18) . . . . ?
Eu4 Ti6 O36 Ti3 -37.00(15) . . . . ?
Eu4 Ti6 O29 Ti4 -62.8(3) . . . . ?
Eu4 Ti5 O44 Ti3 -52.8(3) . . . . ?
Eu4 Ti5 O15 Ti4 143.9(3) . . . . ?
Eu4 Ti3 O36 Eu2 -106.75(18) . . . . ?
Eu4 Ti3 O36 Ti6 36.68(15) . . . . ?
Eu4 Ti3 O44 Ti5 52.2(3) . . . . ?
Eu4 O34 C104 O9 -55.0(7) . . . . ?
Eu4 O34 C104 C136 123.8(5) . . . . ?
Eu4 O40 C86 O38 31.4(8) . . . . ?
Eu4 O40 C86 C270 -145.9(4) . . . . ?
Eu4 O33 C34 O7 6.9(8) . . . . ?
Eu4 O33 C34 C106 -171.2(4) . . . . ?
Eu4 N14 C178 C150 157.0(4) . . . . ?
Eu4 N14 C211 C54 23.0(6) . . . . ?
Eu4 N14 C211 C142 -154.4(4) . . . . ?
Eu4 N16 C269 C102 -176.3(4) . . . . ?
Eu2 Ti4 O29 Ti6 -52.3(3) . . . . ?
Eu2 Ti4 O15 Eu4 106.74(18) . . . . ?
Eu2 Ti4 O15 Ti5 -36.32(15) . . . . ?
Eu2 Ti6 O36 Ti3 -143.6(3) . . . . ?
Eu2 Ti6 O29 Ti4 52.8(3) . . . . ?
Eu2 Ti5 O44 Ti3 63.6(3) . . . . ?
Eu2 Ti5 O15 Eu4 -107.21(18) . . . . ?
Eu2 Ti5 O15 Ti4 36.69(16) . . . . ?
Eu2 Ti3 O36 Ti6 143.4(3) . . . . ?
Eu2 Ti3 O44 Ti5 -63.9(3) . . . . ?
Eu2 O10 C296 O16 -4.9(8) . . . . ?
Eu2 O10 C296 C210 174.6(3) . . . . ?
Eu2 O46 C279 O49 -44.2(9) . . . . ?
Eu2 O46 C279 C244 134.1(5) . . . . ?
Eu2 O31 C286 O48 -38.6(7) . . . . ?
Eu2 O31 C286 C98 144.1(4) . . . . ?
Eu2 O35 C166 O28 54.5(7) . . . . ?
Eu2 O35 C166 C262 -124(2) . . . . ?
Eu2 O35 C166 C163 -125(3) . . . . ?
Eu2 N1 C62 C141 -177.1(4) . . . . ?
Eu2 N1 C223 C26 0.6(6) . . . . ?
Eu2 N1 C223 C224 179.8(4) . . . . ?
Eu2 N6 C254 C185 -155.2(5) . . . . ?
Eu3 Ti1 O12 Ti2 63.0(3) . . . . ?
Eu3 Ti1 O25 Eu1 -104.91(19) . . . . ?
Eu3 Ti1 O25 Ti8 38.11(15) . . . . ?
Eu3 Ti8 O5 Ti7 -52.2(3) . . . . ?
Eu3 Ti8 O25 Eu1 107.24(18) . . . . ?
Eu3 Ti8 O25 Ti1 -37.14(15) . . . . ?
Eu3 Ti2 O8 Ti7 143.7(3) . . . . ?
Eu3 Ti2 O12 Ti1 -63.5(3) . . . . ?
Eu3 Ti7 O8 Ti2 -142.6(3) . . . . ?
Eu3 Ti7 O5 Ti8 52.6(3) . . . . ?
Eu3 O32 C47 O11 -15.3(9) . . . . ?
Eu3 O32 C47 C84 164.6(4) . . . . ?
Eu3 O39 C96 O4 -27.6(9) . . . . ?
Eu3 O39 C96 C209 150.5(4) . . . . ?
Eu3 O41 C154 O23 29.6(10) . . . . ?
Eu3 O41 C154 C124 -138.5(6) . . . . ?
Eu3 O41 C154 C153 -162.1(5) . . . . ?
Eu3 O21 C147 O43 -40.5(7) . . . . ?
Eu3 O21 C147 C148 139.3(4) . . . . ?
Eu3 N12 C112 C4 -157.1(5) . . . . ?
Eu3 N12 C227 C192 -28.7(6) . . . . ?
Eu3 N12 C227 C199 154.2(4) . . . . ?
Eu3 N9 C37 C235 154.9(12) . . . . ?
Eu3 N9 C37 C79 175.9(10) . . . . ?
Ti1 Ti8 O5 Ti7 5.2(4) . . . . ?
Ti1 Ti8 O25 Eu1 144.4(3) . . . . ?
Ti1 O4 C96 O39 -6.2(8) . . . . ?
Ti1 O4 C96 C209 175.7(4) . . . . ?
Ti1 O26 C105 C66 -175.7(3) . . . . ?
Ti1 O26 C105 O3 3.1(7) . . . . ?
Ti1 O42 C76 O17 -56.2(7) . . . . ?
Ti1 O42 C76 C308 123.6(4) . . . . ?
Ti4 Ti5 O44 Ti3 6.7(4) . . . . ?
Ti4 Ti5 O15 Eu4 -143.9(3) . . . . ?
Ti4 O14 C10 O30 -7.3(7) . . . . ?
Ti4 O14 C10 C72 171.0(3) . . . . ?
Ti4 O28 C166 O35 -16.7(7) . . . . ?
Ti4 O28 C166 C262 161(2) . . . . ?
Ti4 O28 C166 C163 163(3) . . . . ?
Ti4 O38 C86 O40 0.9(9) . . . . ?
Ti4 O38 C86 C270 178.3(4) . . . . ?
Ti6 Ti3 O36 Eu2 -143.4(3) . . . . ?
Ti6 Ti3 O44 Ti5 -6.4(3) . . . . ?
Ti6 O6 C1 O37 -15.8(8) . . . . ?
Ti6 O6 C1 C174 164.3(3) . . . . ?
Ti6 O16 C296 O10 53.0(7) . . . . ?
Ti6 O16 C296 C210 -126.5(4) . . . . ?
Ti6 O50 C179 O45 -5.2(7) . . . . ?
Ti6 O50 C179 C288 174.3(3) . . . . ?
Ti8 Ti1 O12 Ti2 5.4(4) . . . . ?
Ti8 Ti1 O25 Eu1 -143.0(3) . . . . ?
Ti8 O20 C14 O13 -2.5(8) . . . . ?
Ti8 O20 C14 C216 177.2(4) . . . . ?
Ti8 O23 C154 O41 -3.8(9) . . . . ?
Ti8 O23 C154 C124 165.4(5) . . . . ?
Ti8 O23 C154 C153 -171.4(6) . . . . ?
Ti8 O3 C105 O26 -2.3(7) . . . . ?
Ti8 O3 C105 C66 176.5(3) . . . . ?
Ti2 Ti7 O8 Eu3 142.6(3) . . . . ?
Ti2 Ti7 O5 Ti8 -5.2(4) . . . . ?
Ti2 O18 C22 O19 5.0(7) . . . . ?
Ti2 O18 C22 C292 -177.2(3) . . . . ?
Ti2 O22 C222 O52 13.6(8) . . . . ?
Ti2 O22 C222 C168 -164.4(3) . . . . ?
Ti2 O43 C147 O21 6.5(9) . . . . ?
Ti2 O43 C147 C148 -173.3(4) . . . . ?
Ti5 Ti4 O29 Ti6 6.2(4) . . . . ?
Ti5 Ti4 O15 Eu4 143.1(3) . . . . ?
Ti5 O30 C10 O14 7.7(8) . . . . ?
Ti5 O30 C10 C72 -170.5(3) . . . . ?
Ti5 O7 C34 O33 -57.9(7) . . . . ?
Ti5 O7 C34 C106 120.3(5) . . . . ?
Ti5 O49 C279 O46 11.3(8) . . . . ?
Ti5 O49 C279 C244 -167.0(4) . . . . ?
Ti3 Ti6 O36 Eu2 143.6(3) . . . . ?
Ti3 Ti6 O29 Ti4 -6.0(4) . . . . ?
Ti3 O48 C286 O31 6.6(9) . . . . ?
Ti3 O48 C286 C98 -176.0(4) . . . . ?
Ti3 O9 C104 O34 18.5(7) . . . . ?
Ti3 O9 C104 C136 -160.3(3) . . . . ?
Ti3 O45 C179 O50 7.9(7) . . . . ?
Ti3 O45 C179 C288 -171.6(3) . . . . ?
Ti7 Ti2 O8 Eu3 -143.7(3) . . . . ?
Ti7 Ti2 O12 Ti1 -5.4(4) . . . . ?
Ti7 O19 C22 O18 -4.9(8) . . . . ?
Ti7 O19 C22 C292 177.5(3) . . . . ?
Ti7 O11 C47 O32 55.9(8) . . . . ?
Ti7 O11 C47 C84 -124.1(5) . . . . ?
Ti7 O51 C272 O2 4.0(8) . . . . ?
Ti7 O51 C272 C28 -176.1(4) . . . . ?
O1 Ti1 O12 Ti2 47.3(4) . . . . ?
O1 Ti1 O25 Eu1 -131.2(2) . . . . ?
O1 Ti1 O25 Ti8 11.86(16) . . . . ?
O1 Ti8 O5 Ti7 -36.9(4) . . . . ?
O1 Ti8 O25 Eu1 132.6(2) . . . . ?
O1 Ti8 O25 Ti1 -11.76(16) . . . . ?
O4 Ti1 O12 Ti2 142.3(3) . . . . ?
O4 Ti1 O25 Eu1 158.5(7) . . . . ?
O4 Ti1 O25 Ti8 -58.5(9) . . . . ?
O4 C96 C209 C234 -142.8(5) . . . . ?
O4 C96 C209 C97 37.7(8) . . . . ?
O6 Ti6 O36 Eu2 -163.7(6) . . . . ?
O6 Ti6 O36 Ti3 52.7(8) . . . . ?
O6 Ti6 O29 Ti4 -141.0(3) . . . . ?
O6 C1 O37 Eu4 41.1(9) . . . . ?
O6 C1 C174 C116 -160.4(5) . . . . ?
O6 C1 C174 C118 19.1(8) . . . . ?
O8 Ti2 O12 Ti1 -45.6(4) . . . . ?
O8 Ti7 O5 Ti8 35.3(4) . . . . ?
O12 Ti1 O25 Eu1 -34.3(2) . . . . ?
O12 Ti1 O25 Ti8 108.71(18) . . . . ?
O12 Ti2 O8 Eu3 -33.4(2) . . . . ?
O12 Ti2 O8 Ti7 110.34(17) . . . . ?
O14 Ti4 O29 Ti6 166.8(6) . . . . ?
O14 Ti4 O15 Eu4 -137.7(2) . . . . ?
O14 Ti4 O15 Ti5 79.25(17) . . . . ?
O14 C10 C72 C64 15.7(7) . . . . ?
O14 C10 C72 C164 -162.1(5) . . . . ?
O16 Ti6 O36 Eu2 -55.4(2) . . . . ?
O16 Ti6 O36 Ti3 160.96(18) . . . . ?
O16 Ti6 O29 Ti4 123.0(3) . . . . ?
O18 Ti2 O8 Eu3 138.0(2) . . . . ?
O18 Ti2 O8 Ti7 -78.30(17) . . . . ?
O18 Ti2 O12 Ti1 -174.0(7) . . . . ?
O18 C22 C292 C326 176.1(6) . . . . ?
O18 C22 C292 C348 -4.6(8) . . . . ?
O20 Ti8 O5 Ti7 136.1(3) . . . . ?
O20 Ti8 O25 Eu1 -55.4(2) . . . . ?
O20 Ti8 O25 Ti1 160.20(17) . . . . ?
O20 C14 C216 C87 -4.5(8) . . . . ?
O20 C14 C216 C45 177.3(5) . . . . ?
O22 Ti2 O8 Ti7 -37.1(10) . . . . ?
O22 Ti2 O12 Ti1 128.7(3) . . . . ?
O24 Ti6 O36 Eu2 132.3(2) . . . . ?
O24 Ti6 O36 Ti3 -11.35(16) . . . . ?
O24 Ti6 O29 Ti4 -47.4(4) . . . . ?
O24 Ti3 O36 Eu2 -132.0(2) . . . . ?
O24 Ti3 O36 Ti6 11.39(16) . . . . ?
O24 Ti3 O44 Ti5 35.8(3) . . . . ?
O26 Ti1 O12 Ti2 175.9(7) . . . . ?
O26 Ti1 O25 Eu1 140.1(2) . . . . ?
O26 Ti1 O25 Ti8 -76.87(17) . . . . ?
O28 Ti4 O29 Ti6 -129.2(3) . . . . ?
O28 Ti4 O15 Eu4 -171.6(7) . . . . ?
O28 Ti4 O15 Ti5 45.3(9) . . . . ?
O28 C166 C262 C12 -4(4) . . . . ?
O28 C166 C262 C273 169(2) . . . . ?
O28 C166 C163 C327 -5(5) . . . . ?
O28 C166 C163 C331 -170(3) . . . . ?
O30 Ti5 O44 Ti3 -178.1(7) . . . . ?
O30 Ti5 O15 Eu4 138.0(2) . . . . ?
O30 Ti5 O15 Ti4 -78.08(17) . . . . ?
O30 C10 C72 C64 -165.9(5) . . . . ?
O30 C10 C72 C164 16.3(7) . . . . ?
O34 C104 C136 C6 -2.5(8) . . . . ?
O34 C104 C136 C277 -179.3(5) . . . . ?
O36 Ti6 O29 Ti4 34.9(4) . . . . ?
O36 Ti3 O44 Ti5 -46.5(3) . . . . ?
O38 Ti4 O29 Ti6 137.0(3) . . . . ?
O38 Ti4 O15 Eu4 -55.9(2) . . . . ?
O38 Ti4 O15 Ti5 161.07(17) . . . . ?
O38 C86 C270 C346 -7.1(9) . . . . ?
O38 C86 C270 C233 171.3(5) . . . . ?
O40 C86 C270 C346 170.5(6) . . . . ?
O40 C86 C270 C233 -11.1(8) . . . . ?
O42 Ti1 O12 Ti2 -122.6(3) . . . . ?
O42 Ti1 O25 Eu1 57.8(2) . . . . ?
O42 Ti1 O25 Ti8 -159.17(18) . . . . ?
O42 C76 C308 C220 -0.8(8) . . . . ?
O42 C76 C308 C264 179.3(5) . . . . ?
O44 Ti5 O15 Eu4 -36.0(2) . . . . ?
O44 Ti5 O15 Ti4 107.91(18) . . . . ?
O44 Ti3 O36 Eu2 -33.4(2) . . . . ?
O44 Ti3 O36 Ti6 110.06(17) . . . . ?
O48 Ti3 O36 Eu2 56.3(2) . . . . ?
O48 Ti3 O36 Ti6 -160.24(17) . . . . ?
O48 Ti3 O44 Ti5 -137.0(3) . . . . ?
O50 Ti6 O36 Eu2 -137.9(2) . . . . ?
O50 Ti6 O36 Ti3 78.47(17) . . . . ?
O50 Ti6 O29 Ti4 175.9(6) . . . . ?
O13 C14 C216 C87 175.3(5) . . . . ?
O13 C14 C216 C45 -3.0(8) . . . . ?
O27 Ti4 O29 Ti6 -35.9(4) . . . . ?
O27 Ti4 O15 Eu4 131.6(2) . . . . ?
O27 Ti4 O15 Ti5 -11.48(17) . . . . ?
O27 Ti5 O44 Ti3 47.9(3) . . . . ?
O27 Ti5 O15 Eu4 -132.4(2) . . . . ?
O27 Ti5 O15 Ti4 11.48(17) . . . . ?
O7 Ti5 O44 Ti3 -121.5(3) . . . . ?
O7 Ti5 O15 Eu4 55.0(2) . . . . ?
O7 Ti5 O15 Ti4 -161.13(18) . . . . ?
O7 C34 C106 C8 -168.4(6) . . . . ?
O7 C34 C106 C91 9.7(8) . . . . ?
O29 Ti4 O15 Eu4 32.7(2) . . . . ?
O29 Ti4 O15 Ti5 -110.36(17) . . . . ?
O29 Ti6 O36 Eu2 35.0(2) . . . . ?
O29 Ti6 O36 Ti3 -108.62(18) . . . . ?
O15 Ti4 O29 Ti6 46.3(4) . . . . ?
O15 Ti5 O44 Ti3 -34.3(4) . . . . ?
C4 C58 C199 C227 -1.1(10) . . . . ?
O33 C34 C106 C8 9.9(9) . . . . ?
O33 C34 C106 C91 -172.1(6) . . . . ?
O17 C76 C308 C220 179.0(6) . . . . ?
O17 C76 C308 C264 -0.9(8) . . . . ?
O35 C166 C262 C12 174(2) . . . . ?
O35 C166 C262 C273 -12(4) . . . . ?
O35 C166 C163 C327 175(3) . . . . ?
O35 C166 C163 C331 9(6) . . . . ?
O9 Ti3 O36 Eu2 173.2(8) . . . . ?
O9 Ti3 O36 Ti6 -43.4(10) . . . . ?
O9 Ti3 O44 Ti5 129.0(3) . . . . ?
O9 C104 C136 C6 176.3(5) . . . . ?
O9 C104 C136 C277 -0.4(7) . . . . ?
C6 C136 C277 C123 1.6(8) . . . . ?
O37 C1 C174 C116 19.8(8) . . . . ?
O37 C1 C174 C118 -160.8(5) . . . . ?
N1 C62 C141 C245 -2.3(8) . . . . ?
N1 C62 C141 C135 173.8(5) . . . . ?
O19 Ti7 O8 Eu3 -139.9(2) . . . . ?
O19 Ti7 O8 Ti2 77.53(18) . . . . ?
O19 C22 C292 C326 -6.0(8) . . . . ?
O19 C22 C292 C348 173.3(5) . . . . ?
C8 C68 C228 C229 1.7(10) . . . . ?
C8 C68 C228 C137 177.5(6) . . . . ?
C8 C106 C91 C229 -0.3(10) . . . . ?
C10 C72 C164 C195 179.4(5) . . . . ?
O39 C96 C209 C234 38.9(8) . . . . ?
O39 C96 C209 C97 -140.6(5) . . . . ?
C12 C114 C314 C184 0(2) . . . . ?
C12 C114 C314 C208 178.6(13) . . . . ?
C12 C262 C273 C184 -6(5) . . . . ?
O5 Ti8 O25 Eu1 33.8(2) . . . . ?
O5 Ti8 O25 Ti1 -110.56(17) . . . . ?
O5 Ti7 O8 Eu3 34.5(2) . . . . ?
O5 Ti7 O8 Ti2 -108.09(18) . . . . ?
C14 C216 C87 C52 -179.7(6) . . . . ?
C14 C216 C45 C125 -179.0(6) . . . . ?
C16 C29 C17 C344 38.3(7) . . . . ?
C16 C29 C17 C183 146.5(5) . . . . ?
C18 C36 C263 C133 1.7(9) . . . . ?
C18 N8 C294 C133 -1.6(8) . . . . ?
C18 C304 C113 C9 -179.8(6) . . . . ?
O41 C154 C153 C307 -164.5(6) . . . . ?
O41 C154 C153 C311 22.4(9) . . . . ?
C22 C292 C326 C268 -177.8(6) . . . . ?
C22 C292 C348 C212 178.8(6) . . . . ?
C24 C48 C56 C92 -5.9(8) . . . . ?
C24 C48 C56 C200 -127.6(7) . . . . ?
C24 C48 C56 C265 114.0(7) . . . . ?
C24 C48 C195 C164 -0.8(9) . . . . ?
C24 C64 C72 C10 -178.9(5) . . . . ?
C24 C64 C72 C164 -1.1(9) . . . . ?
C26 N6 C254 C185 2.7(8) . . . . ?
C26 C218 C260 C185 1.8(9) . . . . ?
O43 Ti2 O8 Eu3 56.3(2) . . . . ?
O43 Ti2 O8 Ti7 -160.00(17) . . . . ?
O43 Ti2 O12 Ti1 -136.6(3) . . . . ?
N4 C38 C146 C253 -177.6(8) . . . . ?
N4 C38 C146 C9 -1.1(10) . . . . ?
N4 C38 C146 C337 166.5(14) . . . . ?
N4 C304 C113 C9 -0.8(9) . . . . ?
O11 Ti7 O8 Eu3 -57.7(2) . . . . ?
O11 Ti7 O8 Ti2 159.71(19) . . . . ?
O11 Ti7 O5 Ti8 122.6(3) . . . . ?
C30 C98 C236 C194 0.7(9) . . . . ?
C30 C98 C286 O48 -168.9(5) . . . . ?
C30 C98 C286 O31 8.6(8) . . . . ?
C30 C182 C336 C194 0.5(10) . . . . ?
C30 C182 C336 C93 -178.4(6) . . . . ?
N6 C26 C218 C260 1.6(8) . . . . ?
N6 C26 C223 N1 16.8(7) . . . . ?
N6 C26 C223 C224 -162.4(5) . . . . ?
N6 C254 C185 C260 0.6(9) . . . . ?
C32 C120 C192 N9 5(5) . . . . ?
C32 C120 C192 C227 -174(2) . . . . ?
C32 C111 C299 C59 48(2) . . . . ?
C32 C111 C299 C65 -46.5(19) . . . . ?
C32 C235 C131 C59 -42(2) . . . . ?
C32 C235 C131 C65 49(3) . . . . ?
C32 C235 C37 N9 6(3) . . . . ?
O45 Ti3 O36 Eu2 139.2(2) . . . . ?
O45 Ti3 O36 Ti6 -77.36(16) . . . . ?
C34 C106 C91 C229 -178.4(6) . . . . ?
O23 Ti8 O5 Ti7 -129.5(3) . . . . ?
O23 C154 C153 C307 4.7(10) . . . . ?
O23 C154 C153 C311 -168.4(5) . . . . ?
C36 C18 N8 Eu1 -154.4(4) . . . . ?
C36 C18 N8 C294 5.3(7) . . . . ?
C36 C18 C304 N4 173.8(5) . . . . ?
C36 C18 C304 C113 -7.2(8) . . . . ?
C36 C263 C133 C294 1.7(9) . . . . ?
C38 N4 C304 C18 179.4(5) . . . . ?
C38 N4 C304 C113 0.4(8) . . . . ?
C38 C146 C253 C207 -139.1(8) . . . . ?
C38 C146 C253 C291 130.2(9) . . . . ?
C38 C146 C9 C113 0.6(11) . . . . ?
C38 C146 C9 C251 -173.9(8) . . . . ?
C38 C146 C9 C171 166.2(16) . . . . ?
C38 C146 C337 C21 -123.5(15) . . . . ?
C38 C146 C337 C169 146.9(14) . . . . ?
O47 Ti2 O8 Eu3 -132.1(2) . . . . ?
O47 Ti2 O8 Ti7 11.55(16) . . . . ?
O47 Ti2 O12 Ti1 36.8(4) . . . . ?
O47 Ti7 O8 Eu3 131.0(2) . . . . ?
O47 Ti7 O8 Ti2 -11.60(16) . . . . ?
O47 Ti7 O5 Ti8 -46.9(4) . . . . ?
C40 C266 C285 C281 178.9(6) . . . . ?
C42 C152 C158 C148 0.3(10) . . . . ?
C44 C66 C250 C181 3.3(11) . . . . ?
C44 C66 C105 O26 178.2(5) . . . . ?
C44 C66 C105 O3 -0.7(8) . . . . ?
C48 C24 C64 C72 -0.4(9) . . . . ?
N8 C18 C36 C263 -5.3(8) . . . . ?
N8 C18 C304 N4 -5.5(7) . . . . ?
N8 C18 C304 C113 173.6(5) . . . . ?
N8 C294 C133 C263 -1.9(9) . . . . ?
C50 C102 C197 C183 43.4(6) . . . . ?
C50 C102 C197 C29 -50.0(6) . . . . ?
C50 C102 C269 N16 -4.4(8) . . . . ?
C50 C344 C17 C183 -44.5(7) . . . . ?
C50 C344 C17 C29 49.4(7) . . . . ?
C54 N16 C269 C102 -0.4(8) . . . . ?
C56 C48 C195 C164 177.8(6) . . . . ?
C58 C4 C112 N12 2.4(10) . . . . ?
C58 C199 C227 N12 3.8(9) . . . . ?
C58 C199 C227 C192 -173.1(6) . . . . ?
C60 C90 C210 C296 175.9(6) . . . . ?
C60 C90 C210 C281 -1.0(9) . . . . ?
C60 C266 C285 C281 -1.8(10) . . . . ?
C62 N1 C223 C26 -177.7(5) . . . . ?
C62 N1 C223 C224 1.5(8) . . . . ?
C64 C24 C48 C56 -177.3(5) . . . . ?
C64 C24 C48 C195 1.3(9) . . . . ?
C64 C72 C164 C195 1.6(9) . . . . ?
C66 C44 C99 C322 -3.5(12) . . . . ?
C66 C250 C181 C322 -0.6(13) . . . . ?
C68 C8 C106 C34 175.8(6) . . . . ?
C68 C8 C106 C91 -2.3(10) . . . . ?
C68 C228 C229 C91 -4.4(10) . . . . ?
C68 C228 C137 C191 20.5(10) . . . . ?
C68 C228 C137 C53 135.9(7) . . . . ?
C68 C228 C137 C31 -102.4(8) . . . . ?
C70 C28 C176 C94 3.1(9) . . . . ?
C70 C28 C272 O2 143.6(6) . . . . ?
C70 C28 C272 O51 -36.4(8) . . . . ?
C70 C46 C204 C94 0.4(9) . . . . ?
C70 C46 C204 C196 -178.5(6) . . . . ?
C72 C164 C195 C48 -0.7(10) . . . . ?
O3 Ti8 O5 Ti7 173.4(7) . . . . ?
O3 Ti8 O25 Eu1 -138.2(2) . . . . ?
O3 Ti8 O25 Ti1 77.41(16) . . . . ?
C78 C193 C13 C282 173.0(6) . . . . ?
C78 C193 C13 C306 -8.6(8) . . . . ?
C80 C274 C203 C84 -0.8(16) . . . . ?
C82 C168 C222 O22 1.6(8) . . . . ?
C82 C168 C222 O52 -176.5(6) . . . . ?
C82 C168 C51 C156 2.0(8) . . . . ?
C82 C334 C101 C156 0.3(12) . . . . ?
C82 C334 C101 C275 -178.4(8) . . . . ?
C84 C160 C180 C80 1.3(10) . . . . ?
C86 C270 C346 C121 -178.7(8) . . . . ?
C86 C270 C233 C258 -179.8(6) . . . . ?
C88 C100 C188 C256 178.8(8) . . . . ?
C88 C100 C278 C221 -178.9(8) . . . . ?
C90 C60 C266 C40 -178.7(6) . . . . ?
C90 C60 C266 C285 1.9(10) . . . . ?
C90 C210 C296 O10 178.8(5) . . . . ?
C90 C210 C296 O16 -1.6(8) . . . . ?
C90 C210 C281 C285 1.1(10) . . . . ?
C98 C30 C182 C336 1.6(10) . . . . ?
C100 C188 C256 C244 -0.6(14) . . . . ?
C100 C278 C221 C244 0.8(15) . . . . ?
C102 C50 C248 C54 -1.5(8) . . . . ?
C102 C50 C344 C17 -5.3(8) . . . . ?
C102 C197 C29 C16 -42.4(7) . . . . ?
C102 C197 C29 C33 -169.2(5) . . . . ?
C102 C197 C29 C17 79.3(5) . . . . ?
C104 C136 C277 C123 178.4(5) . . . . ?
C106 C8 C68 C228 1.6(10) . . . . ?
C106 C91 C229 C228 3.8(11) . . . . ?
C110 C230 C288 C179 -178.1(5) . . . . ?
C110 C230 C288 C95 1.2(8) . . . . ?
C110 C243 C271 C95 0.0(8) . . . . ?
C110 C243 C35 C134 68.2(7) . . . . ?
C110 C243 C35 C127 -51.7(7) . . . . ?
C110 C243 C35 C71 -170.4(6) . . . . ?
C112 C4 C58 C199 -1.9(10) . . . . ?
C112 N12 C227 C192 173.9(5) . . . . ?
C112 N12 C227 C199 -3.2(8) . . . . ?
C114 C12 C262 C166 179(3) . . . . ?
C114 C12 C262 C273 5(4) . . . . ?
C116 C282 C13 C306 -1.0(8) . . . . ?
C116 C282 C13 C193 177.6(5) . . . . ?
C118 C306 C13 C282 0.8(9) . . . . ?
C118 C306 C13 C193 -177.7(6) . . . . ?
C120 C32 C111 C299 179(3) . . . . ?
C120 C32 C235 C131 180(3) . . . . ?
C120 C32 C235 C37 3(4) . . . . ?
C120 C192 N9 Eu3 -161(3) . . . . ?
C120 C192 N9 C37 5(3) . . . . ?
C120 C192 C227 N12 -175(3) . . . . ?
C120 C192 C227 C199 2(3) . . . . ?
C122 C124 C126 C128 0.0 . . . . ?
C122 C124 C154 O41 -1.8(10) . . . . ?
C122 C124 C154 O23 -171.6(5) . . . . ?
C124 C122 C132 C130 0.0 . . . . ?
C124 C126 C128 C130 0.0 . . . . ?
C126 C124 C154 O41 175.7(6) . . . . ?
C126 C124 C154 O23 5.9(9) . . . . ?
C126 C128 C130 C132 0.0 . . . . ?
C126 C128 C130 C342 174.8(9) . . . . ?
C128 C130 C132 C122 0.0 . . . . ?
C128 C130 C342 C255 174.0(8) . . . . ?
C128 C130 C342 C73 -66.5(11) . . . . ?
C128 C130 C342 C301 57.2(11) . . . . ?
C132 C122 C124 C126 0.0 . . . . ?
C132 C122 C124 C154 177.6(9) . . . . ?
C132 C130 C342 C255 -11.3(11) . . . . ?
C132 C130 C342 C73 108.2(11) . . . . ?
C132 C130 C342 C301 -128.2(11) . . . . ?
C136 C6 C257 C205 -1.6(9) . . . . ?
C138 C88 C100 C188 127.2(10) . . . . ?
C138 C88 C100 C278 -50.9(11) . . . . ?
C140 C258 C233 C270 -2.1(11) . . . . ?
O49 Ti5 O44 Ti3 141.7(3) . . . . ?
O49 Ti5 O15 Eu4 161.7(6) . . . . ?
O49 Ti5 O15 Ti4 -54.4(7) . . . . ?
C144 C148 C158 C152 -3.0(9) . . . . ?
C144 C148 C147 O21 -176.9(5) . . . . ?
C144 C148 C147 O43 3.0(8) . . . . ?
C146 C253 C291 C2 77.2(9) . . . . ?
C146 C253 C291 C139 -44.2(13) . . . . ?
C146 C253 C291 C297 -168.1(10) . . . . ?
C146 C9 C171 C341 3(3) . . . . ?
C146 C337 C169 C339 -160(2) . . . . ?
C146 C337 C169 C85 -35(3) . . . . ?
C146 C337 C169 C341 80.0(19) . . . . ?
C148 C144 C129 C42 0.6(11) . . . . ?
C152 C42 C175 C170 -178.9(8) . . . . ?
C152 C42 C175 C107 -62.3(10) . . . . ?
C152 C42 C175 C115 57.5(9) . . . . ?
C152 C42 C129 C144 -3.2(11) . . . . ?
C154 C124 C126 C128 -177.6(9) . . . . ?
C154 C153 C307 C77 -173.1(9) . . . . ?
C154 C153 C311 C155 173.1(9) . . . . ?
C156 C101 C275 C338 128.6(12) . . . . ?
C156 C101 C275 C3 8.5(12) . . . . ?
C156 C101 C275 C103 -112.2(11) . . . . ?
C156 C101 C275 C43 104(3) . . . . ?
C156 C101 C275 C345 -14(3) . . . . ?
C156 C101 C275 C173 -137(2) . . . . ?
C158 C148 C147 O21 1.5(8) . . . . ?
C158 C148 C147 O43 -178.6(5) . . . . ?
C160 C84 C47 O32 2.9(9) . . . . ?
C160 C84 C47 O11 -177.2(6) . . . . ?
C160 C84 C203 C274 -1.1(13) . . . . ?
C166 C262 C273 C184 -180(2) . . . . ?
C166 C163 C327 C41 -172(3) . . . . ?
C166 C163 C331 C165 175(3) . . . . ?
C168 C82 C334 C101 0.6(13) . . . . ?
C172 C140 C258 C233 179.8(7) . . . . ?
C172 C140 C121 C346 -178.4(9) . . . . ?
C174 C1 O37 Eu4 -139.0(4) . . . . ?
C174 C116 C282 C13 0.7(8) . . . . ?
C174 C118 C306 C13 -0.4(10) . . . . ?
C176 C28 C70 C46 -1.5(9) . . . . ?
C176 C28 C272 O2 -35.6(8) . . . . ?
C176 C28 C272 O51 144.5(6) . . . . ?
C176 C94 C204 C46 1.3(9) . . . . ?
C176 C94 C204 C196 -179.8(6) . . . . ?
C178 N14 C211 C54 -177.5(5) . . . . ?
C178 N14 C211 C142 5.1(8) . . . . ?
C178 C150 C318 C142 3.3(9) . . . . ?
C180 C80 C274 C203 2.8(13) . . . . ?
C180 C80 C284 C240 -59.9(9) . . . . ?
C180 C80 C284 C89 58.3(8) . . . . ?
C180 C80 C284 C225 175.7(7) . . . . ?
C182 C30 C98 C236 -2.2(9) . . . . ?
C182 C30 C98 C286 -176.6(5) . . . . ?
C182 C336 C93 C332 -158.9(6) . . . . ?
C182 C336 C93 C177 82.6(7) . . . . ?
C182 C336 C93 C7 -34.0(10) . . . . ?
C188 C100 C278 C221 3.0(14) . . . . ?
C192 N9 C37 C235 -9.8(14) . . . . ?
C192 N9 C37 C79 11.3(14) . . . . ?
C194 C336 C93 C332 22.2(9) . . . . ?
C194 C336 C93 C177 -96.3(7) . . . . ?
C194 C336 C93 C7 147.1(7) . . . . ?
C204 C46 C70 C28 -0.3(10) . . . . ?
C204 C94 C176 C28 -3.1(9) . . . . ?
C206 C193 C13 C282 -67.0(7) . . . . ?
C206 C193 C13 C306 111.4(7) . . . . ?
C210 C281 C285 C266 0.3(10) . . . . ?
C216 C45 C125 C63 -0.4(12) . . . . ?
C218 C26 N6 Eu2 153.5(4) . . . . ?
C218 C26 N6 C254 -3.8(8) . . . . ?
C218 C26 C223 N1 -163.8(5) . . . . ?
C218 C26 C223 C224 17.1(9) . . . . ?
C218 C260 C185 C254 -2.9(9) . . . . ?
C220 C330 C187 C238 -1.5(12) . . . . ?
C220 C330 C187 C312 177.4(7) . . . . ?
C222 C168 C51 C156 -176.2(5) . . . . ?
C224 C245 C141 C62 0.7(8) . . . . ?
C224 C245 C141 C135 -175.6(5) . . . . ?
C226 C40 C266 C60 -59.8(8) . . . . ?
C226 C40 C266 C285 119.6(8) . . . . ?
C230 C110 C243 C271 1.4(8) . . . . ?
C230 C110 C243 C35 -177.3(5) . . . . ?
C230 C288 C179 O50 -17.4(7) . . . . ?
C230 C288 C179 O45 162.2(5) . . . . ?
C230 C288 C95 C271 0.2(8) . . . . ?
C232 C196 C204 C46 -179.2(6) . . . . ?
C232 C196 C204 C94 1.9(9) . . . . ?
O25 Ti1 O12 Ti2 -35.2(4) . . . . ?
O25 Ti8 O5 Ti7 45.5(4) . . . . ?
C236 C98 C286 O48 16.7(7) . . . . ?
C236 C98 C286 O31 -165.8(5) . . . . ?
C236 C194 C336 C182 -2.0(10) . . . . ?
C236 C194 C336 C93 176.9(6) . . . . ?
C238 C264 C308 C76 177.8(5) . . . . ?
C238 C264 C308 C220 -2.1(9) . . . . ?
C242 C246 C300 C212 161.7(18) . . . . ?
C242 C246 C300 C268 -18.7(19) . . . . ?
C248 C50 C102 C197 -174.2(5) . . . . ?
C248 C50 C102 C269 5.1(8) . . . . ?
C248 C50 C344 C17 174.9(6) . . . . ?
C248 C54 N16 Eu4 -179.8(4) . . . . ?
C248 C54 N16 C269 4.3(8) . . . . ?
C248 C54 C211 N14 165.4(5) . . . . ?
C248 C54 C211 C142 -17.2(8) . . . . ?
C250 C66 C105 O26 0.3(8) . . . . ?
C250 C66 C105 O3 -178.7(6) . . . . ?
C252 C302 C67 C135 -27.1(4) . . . . ?
C252 C135 C141 C62 134.7(5) . . . . ?
C252 C135 C141 C245 -49.3(6) . . . . ?
O51 Ti7 O8 Eu3 -161.6(6) . . . . ?
O51 Ti7 O8 Ti2 55.8(8) . . . . ?
O51 Ti7 O5 Ti8 -141.2(3) . . . . ?
C256 C244 C221 C278 -4.5(12) . . . . ?
C256 C244 C279 O46 169.1(6) . . . . ?
C256 C244 C279 O49 -12.5(9) . . . . ?
C258 C140 C172 C190 150.7(7) . . . . ?
C258 C140 C172 C202 -88.3(9) . . . . ?
C258 C140 C172 C215 30.1(12) . . . . ?
C258 C140 C121 C346 -2.4(14) . . . . ?
C262 C12 C114 C314 -2(3) . . . . ?
N16 C54 C248 C50 -3.4(9) . . . . ?
N16 C54 C211 N14 -15.4(7) . . . . ?
N16 C54 C211 C142 162.1(5) . . . . ?
C264 C238 C187 C312 -177.2(6) . . . . ?
C264 C238 C187 C330 1.6(10) . . . . ?
C266 C60 C90 C210 -0.6(10) . . . . ?
C270 C346 C121 C140 -0.9(16) . . . . ?
C272 C28 C70 C46 179.4(6) . . . . ?
C272 C28 C176 C94 -177.7(5) . . . . ?
C274 C80 C180 C160 -3.0(10) . . . . ?
C274 C80 C284 C240 121.0(9) . . . . ?
C274 C80 C284 C89 -120.8(8) . . . . ?
C274 C80 C284 C225 -3.4(11) . . . . ?
C276 C302 C67 C135 86.8(5) . . . . ?
C276 C245 C141 C62 -179.2(5) . . . . ?
C276 C245 C141 C135 4.5(8) . . . . ?
C278 C100 C188 C256 -3.1(13) . . . . ?
C282 C116 C174 C1 179.2(5) . . . . ?
C282 C116 C174 C118 -0.2(8) . . . . ?
C284 C80 C180 C160 177.8(6) . . . . ?
C284 C80 C274 C203 -178.1(8) . . . . ?
C286 C98 C236 C194 175.2(5) . . . . ?
C288 C95 C271 C243 -0.8(8) . . . . ?
C290 C246 C300 C212 34.2(17) . . . . ?
C290 C246 C300 C268 -146.2(16) . . . . ?
C296 C210 C281 C285 -175.7(6) . . . . ?
C298 C234 C209 C96 179.3(5) . . . . ?
C298 C234 C209 C97 -1.2(9) . . . . ?
C298 C280 C310 C20 -120.6(7) . . . . ?
C298 C280 C310 C198 120.6(7) . . . . ?
C298 C280 C310 C320 1.0(9) . . . . ?
C298 C280 C261 C97 -0.9(9) . . . . ?
C300 C212 C348 C292 0.4(10) . . . . ?
C300 C268 C326 C292 -2.4(12) . . . . ?
C302 C252 C135 C67 -26.9(4) . . . . ?
C302 C252 C135 C141 78.6(5) . . . . ?
C302 C276 C245 C224 176.6(6) . . . . ?
C302 C276 C245 C141 -3.5(8) . . . . ?
C302 C67 C135 C252 26.9(4) . . . . ?
C302 C67 C135 C141 -82.6(5) . . . . ?
C304 C18 C36 C263 175.4(5) . . . . ?
C304 C18 N8 Eu1 24.9(6) . . . . ?
C304 C18 N8 C294 -175.5(5) . . . . ?
C304 N4 C38 C146 0.6(9) . . . . ?
C304 C113 C9 C146 0.3(10) . . . . ?
C304 C113 C9 C251 174.6(9) . . . . ?
C304 C113 C9 C171 -165.3(16) . . . . ?
C306 C118 C174 C1 -179.4(5) . . . . ?
C306 C118 C174 C116 0.1(9) . . . . ?
C308 C220 C330 C187 -0.4(13) . . . . ?
N9 C192 C227 N12 6.6(7) . . . . ?
N9 C192 C227 C199 -176.3(5) . . . . ?
N9 C192 C325 C317 -6(4) . . . . ?
N9 C37 C79 C317 -12(2) . . . . ?
N9 C37 C79 C5 171.0(11) . . . . ?
C310 C280 C298 C234 177.4(6) . . . . ?
C310 C280 C261 C97 -179.1(6) . . . . ?
C314 C184 C273 C262 4(3) . . . . ?
C316 C312 C187 C238 -167.1(7) . . . . ?
C316 C312 C187 C330 14.1(11) . . . . ?
C318 C142 C211 C54 179.9(5) . . . . ?
C318 C142 C211 N14 -2.8(9) . . . . ?
C318 C150 C178 N14 -1.0(9) . . . . ?
C324 C347 C63 C52 -116.8(8) . . . . ?
C324 C347 C63 C125 62.7(9) . . . . ?
C326 C268 C300 C212 0.8(11) . . . . ?
C326 C268 C300 C246 -178.8(7) . . . . ?
C326 C292 C348 C212 -1.9(10) . . . . ?
C328 C347 C63 C52 123.7(8) . . . . ?
C328 C347 C63 C125 -56.8(10) . . . . ?
C330 C220 C308 C76 -177.7(7) . . . . ?
C330 C220 C308 C264 2.2(11) . . . . ?
C334 C82 C168 C222 176.6(7) . . . . ?
C334 C82 C168 C51 -1.7(10) . . . . ?
C334 C101 C275 C338 -52.8(14) . . . . ?
C334 C101 C275 C3 -172.9(9) . . . . ?
C334 C101 C275 C103 66.4(12) . . . . ?
C334 C101 C275 C43 -77(3) . . . . ?
C334 C101 C275 C345 164(3) . . . . ?
C334 C101 C275 C173 42(3) . . . . ?
C336 C194 C236 C98 1.4(10) . . . . ?
C342 C130 C132 C122 -174.5(9) . . . . ?
C344 C50 C102 C197 6.0(7) . . . . ?
C344 C50 C102 C269 -174.7(5) . . . . ?
C344 C50 C248 C54 178.3(6) . . . . ?
C346 C270 C233 C258 -1.3(10) . . . . ?
C87 C52 C63 C347 -176.1(7) . . . . ?
C87 C52 C63 C125 4.4(10) . . . . ?
C87 C216 C45 C125 2.7(10) . . . . ?
C175 C42 C152 C158 -177.0(7) . . . . ?
C175 C42 C129 C144 176.5(7) . . . . ?
C11 C40 C266 C60 57.1(9) . . . . ?
C11 C40 C266 C285 -123.5(8) . . . . ?
C179 C288 C95 C271 179.5(5) . . . . ?
C45 C216 C87 C52 -1.4(9) . . . . ?
C45 C125 C63 C52 -3.1(11) . . . . ?
C45 C125 C63 C347 177.4(7) . . . . ?
C181 C322 C99 C44 6.1(12) . . . . ?
C181 C322 C25 C162 -77.5(9) . . . . ?
C181 C322 C25 C239 166.4(7) . . . . ?
C181 C322 C25 C287 44.3(11) . . . . ?
C183 C197 C29 C16 -149.2(6) . . . . ?
C183 C197 C29 C33 84.0(5) . . . . ?
C183 C197 C29 C17 -27.5(4) . . . . ?
C23 C252 C302 C276 38.4(7) . . . . ?
C23 C252 C302 C67 147.4(5) . . . . ?
C23 C252 C135 C67 -147.5(5) . . . . ?
C23 C252 C135 C141 -42.0(6) . . . . ?
C187 C238 C264 C308 0.1(9) . . . . ?
C47 C84 C160 C180 -177.3(6) . . . . ?
C47 C84 C203 C274 177.1(8) . . . . ?
C95 C288 C179 O50 163.3(5) . . . . ?
C95 C288 C179 O45 -17.1(8) . . . . ?
C195 C48 C56 C92 175.6(6) . . . . ?
C195 C48 C56 C200 53.9(8) . . . . ?
C195 C48 C56 C265 -64.5(7) . . . . ?
C49 C208 C314 C114 174.5(12) . . . . ?
C49 C208 C314 C184 -7.1(14) . . . . ?
C197 C102 C269 N16 174.9(5) . . . . ?
C197 C183 C17 C344 84.1(5) . . . . ?
C197 C183 C17 C29 -27.5(4) . . . . ?
C197 C29 C17 C344 -81.0(5) . . . . ?
C197 C29 C17 C183 27.2(4) . . . . ?
C99 C44 C66 C250 -1.4(10) . . . . ?
C99 C44 C66 C105 -179.4(6) . . . . ?
C99 C322 C181 C250 -4.0(12) . . . . ?
C99 C322 C25 C162 105.9(8) . . . . ?
C99 C322 C25 C239 -10.2(11) . . . . ?
C99 C322 C25 C287 -132.3(9) . . . . ?
C25 C322 C181 C250 179.2(8) . . . . ?
C25 C322 C99 C44 -177.2(7) . . . . ?
C201 C88 C100 C188 -113.7(9) . . . . ?
C201 C88 C100 C278 68.3(10) . . . . ?
C101 C156 C51 C168 -1.2(9) . . . . ?
C203 C84 C160 C180 0.8(10) . . . . ?
C203 C84 C47 O32 -175.2(7) . . . . ?
C203 C84 C47 O11 4.7(9) . . . . ?
C51 C156 C101 C334 0.1(10) . . . . ?
C51 C156 C101 C275 178.7(6) . . . . ?
C51 C168 C222 O22 179.8(5) . . . . ?
C51 C168 C222 O52 1.7(8) . . . . ?
C205 C123 C277 C136 -3.5(9) . . . . ?
C207 C253 C291 C2 -28.4(7) . . . . ?
C207 C253 C291 C139 -149.8(9) . . . . ?
C207 C253 C291 C297 86.3(11) . . . . ?
C207 C2 C291 C253 28.8(6) . . . . ?
C207 C2 C291 C139 147.2(8) . . . . ?
C207 C2 C291 C297 -84.9(9) . . . . ?
C209 C234 C298 C280 1.9(9) . . . . ?
C209 C97 C261 C280 1.5(9) . . . . ?
C105 C66 C250 C181 -178.7(7) . . . . ?
C211 C54 C248 C50 175.8(5) . . . . ?
C211 C54 N16 Eu4 0.9(6) . . . . ?
C211 C54 N16 C269 -174.9(5) . . . . ?
C211 N14 C178 C150 -3.2(8) . . . . ?
C211 C142 C318 C150 -1.5(9) . . . . ?
C213 C88 C100 C188 4.2(11) . . . . ?
C213 C88 C100 C278 -173.8(8) . . . . ?
C55 C312 C187 C238 -47.9(10) . . . . ?
C55 C312 C187 C330 133.3(8) . . . . ?
C221 C244 C256 C188 4.4(12) . . . . ?
C221 C244 C279 O46 -18.3(9) . . . . ?
C221 C244 C279 O49 160.1(7) . . . . ?
C111 C32 C120 C192 177(3) . . . . ?
C111 C32 C235 C131 -5(3) . . . . ?
C111 C32 C235 C37 178.2(18) . . . . ?
C223 N1 C62 C141 1.2(8) . . . . ?
C223 C26 N6 Eu2 -27.1(6) . . . . ?
C223 C26 N6 C254 175.7(5) . . . . ?
C223 C26 C218 C260 -177.8(5) . . . . ?
C223 C224 C245 C276 -178.3(6) . . . . ?
C223 C224 C245 C141 1.8(9) . . . . ?
C113 C9 C171 C341 168.7(16) . . . . ?
C227 N12 C112 C4 0.1(8) . . . . ?
C227 C192 N9 Eu3 17.9(7) . . . . ?
C227 C192 N9 C37 -176.8(5) . . . . ?
C227 C192 C325 C317 168(2) . . . . ?
C57 C252 C302 C276 166.7(5) . . . . ?
C57 C252 C302 C67 -84.2(5) . . . . ?
C57 C252 C135 C67 83.3(5) . . . . ?
C57 C252 C135 C141 -171.2(4) . . . . ?
C229 C228 C137 C191 -163.7(7) . . . . ?
C229 C228 C137 C53 -48.3(9) . . . . ?
C229 C228 C137 C31 73.4(8) . . . . ?
C231 C196 C204 C46 57.7(9) . . . . ?
C231 C196 C204 C94 -121.2(7) . . . . ?
C233 C270 C346 C121 2.8(13) . . . . ?
C235 C32 C120 C192 -8(5) . . . . ?
C235 C32 C111 C299 4(3) . . . . ?
C348 C212 C300 C246 179.8(6) . . . . ?
C348 C212 C300 C268 0.2(10) . . . . ?
C348 C292 C326 C268 2.9(11) . . . . ?
C241 C208 C314 C114 52.7(14) . . . . ?
C241 C208 C314 C184 -128.9(11) . . . . ?
C121 C140 C172 C190 -33.5(11) . . . . ?
C121 C140 C172 C202 87.5(10) . . . . ?
C121 C140 C172 C215 -154.1(9) . . . . ?
C121 C140 C258 C233 3.8(12) . . . . ?
C243 C110 C230 C288 -2.0(8) . . . . ?
C61 C347 C63 C52 1.1(10) . . . . ?
C61 C347 C63 C125 -179.4(7) . . . . ?
C245 C224 C223 N1 -3.0(9) . . . . ?
C245 C224 C223 C26 176.2(6) . . . . ?
C245 C276 C302 C252 49.4(7) . . . . ?
C245 C276 C302 C67 -47.3(7) . . . . ?
C123 C205 C257 C6 -0.3(10) . . . . ?
C123 C205 C267 C217 118.6(8) . . . . ?
C123 C205 C267 C69 -1.8(10) . . . . ?
C123 C205 C267 C293 -123.7(8) . . . . ?
C247 C208 C314 C114 -66.7(14) . . . . ?
C247 C208 C314 C184 111.7(13) . . . . ?
C251 C2 C291 C253 -82.2(8) . . . . ?
C251 C2 C291 C139 36.2(11) . . . . ?
C251 C2 C291 C297 164.0(9) . . . . ?
C63 C52 C87 C216 -2.3(10) . . . . ?
C253 C146 C9 C113 177.3(8) . . . . ?
C253 C146 C9 C251 2.8(12) . . . . ?
C253 C207 C2 C251 82.2(10) . . . . ?
C253 C207 C2 C291 -29.4(7) . . . . ?
C2 C207 C253 C146 -80.2(8) . . . . ?
C2 C207 C253 C291 29.7(7) . . . . ?
C2 C251 C9 C146 -4.6(13) . . . . ?
C2 C251 C9 C113 -179.0(9) . . . . ?
C257 C6 C136 C104 -175.9(5) . . . . ?
C257 C6 C136 C277 0.9(8) . . . . ?
C257 C205 C123 C277 2.8(9) . . . . ?
C257 C205 C267 C217 -62.3(9) . . . . ?
C257 C205 C267 C69 177.4(7) . . . . ?
C257 C205 C267 C293 55.5(9) . . . . ?
C129 C42 C152 C158 2.8(11) . . . . ?
C129 C42 C175 C170 1.3(12) . . . . ?
C129 C42 C175 C107 117.9(8) . . . . ?
C129 C42 C175 C115 -122.2(8) . . . . ?
C129 C144 C148 C158 2.5(10) . . . . ?
C129 C144 C148 C147 -179.1(6) . . . . ?
C261 C280 C298 C234 -0.8(9) . . . . ?
C261 C280 C310 C20 57.5(8) . . . . ?
C261 C280 C310 C198 -61.2(8) . . . . ?
C261 C280 C310 C320 179.1(6) . . . . ?
C261 C97 C209 C96 179.0(5) . . . . ?
C261 C97 C209 C234 -0.4(9) . . . . ?
C131 C235 C37 N9 -170.2(17) . . . . ?
C131 C59 C299 C111 -82.2(17) . . . . ?
C131 C59 C299 C65 27.6(13) . . . . ?
C131 C65 C299 C111 83.0(15) . . . . ?
C131 C65 C299 C59 -29.5(13) . . . . ?
C33 C29 C17 C344 167.8(5) . . . . ?
C33 C29 C17 C183 -84.0(5) . . . . ?
C267 C205 C123 C277 -178.0(6) . . . . ?
C267 C205 C257 C6 -179.5(6) . . . . ?
C67 C135 C141 C62 -131.9(5) . . . . ?
C67 C135 C141 C245 44.1(7) . . . . ?
C269 C102 C197 C183 -135.9(5) . . . . ?
C269 C102 C197 C29 130.7(5) . . . . ?
C135 C252 C302 C276 -81.9(5) . . . . ?
C135 C252 C302 C67 27.1(4) . . . . ?
C271 C243 C35 C134 -110.5(6) . . . . ?
C271 C243 C35 C127 129.7(6) . . . . ?
C271 C243 C35 C71 11.0(8) . . . . ?
C17 C183 C197 C102 -82.0(5) . . . . ?
C17 C183 C197 C29 27.5(4) . . . . ?
C273 C184 C314 C114 -1.1(18) . . . . ?
C273 C184 C314 C208 -179.6(10) . . . . ?
C137 C228 C229 C91 179.6(6) . . . . ?
C279 C244 C256 C188 177.4(7) . . . . ?
C279 C244 C221 C278 -177.4(8) . . . . ?
C35 C243 C271 C95 178.6(5) . . . . ?
C281 C210 C296 O10 -4.3(8) . . . . ?
C281 C210 C296 O16 175.2(6) . . . . ?
C283 C40 C266 C60 179.0(7) . . . . ?
C283 C40 C266 C285 -1.7(10) . . . . ?
C143 C312 C187 C238 75.1(9) . . . . ?
C143 C312 C187 C330 -103.7(9) . . . . ?
C9 C146 C253 C207 44.4(10) . . . . ?
C9 C146 C253 C291 -46.3(12) . . . . ?
C9 C146 C337 C21 44.2(19) . . . . ?
C9 C146 C337 C169 -45(2) . . . . ?
C9 C251 C2 C207 -42.4(13) . . . . ?
C9 C251 C2 C291 50.8(12) . . . . ?
C289 C246 C300 C212 -86.9(15) . . . . ?
C289 C246 C300 C268 92.7(15) . . . . ?
C145 C193 C13 C282 53.9(7) . . . . ?
C145 C193 C13 C306 -127.7(6) . . . . ?
C147 C148 C158 C152 178.6(6) . . . . ?
C295 C196 C204 C46 -60.3(7) . . . . ?
C295 C196 C204 C94 120.8(6) . . . . ?
C37 C235 C131 C59 135.2(19) . . . . ?
C37 C235 C131 C65 -134(2) . . . . ?
C37 C79 C317 C159 -177.1(14) . . . . ?
C37 C79 C317 C325 3(3) . . . . ?
C37 C79 C5 C319 -138.4(15) . . . . ?
C37 C79 C5 C321 131.6(14) . . . . ?
C299 C59 C131 C235 78.9(15) . . . . ?
C299 C59 C131 C65 -28.0(13) . . . . ?
C299 C65 C131 C235 -83.0(18) . . . . ?
C299 C65 C131 C59 27.9(13) . . . . ?
C151 C59 C131 C235 -40(2) . . . . ?
C151 C59 C131 C65 -147.4(18) . . . . ?
C151 C59 C299 C111 40(2) . . . . ?
C151 C59 C299 C65 149.9(16) . . . . ?
C303 C59 C131 C235 -168.5(15) . . . . ?
C303 C59 C131 C65 84.6(17) . . . . ?
C303 C59 C299 C111 158.9(19) . . . . ?
C303 C59 C299 C65 -91(2) . . . . ?
C153 C307 C77 C309 0.0 . . . . ?
C307 C153 C311 C155 0.0 . . . . ?
C307 C77 C309 C155 0.0 . . . . ?
C307 C77 C309 C313 -175.9(9) . . . . ?
C77 C309 C155 C311 0.0 . . . . ?
C77 C309 C313 C39 -144.2(12) . . . . ?
C77 C309 C313 C157 -25.1(14) . . . . ?
C77 C309 C313 C315 95.0(11) . . . . ?
C309 C155 C311 C153 0.0 . . . . ?
C155 C309 C313 C39 39.8(14) . . . . ?
C155 C309 C313 C157 159.0(12) . . . . ?
C155 C309 C313 C315 -80.9(12) . . . . ?
C311 C153 C307 C77 0.0 . . . . ?
C313 C309 C155 C311 176.0(9) . . . . ?
C79 C317 C159 C161 -1(2) . . . . ?
C79 C317 C325 C192 5(4) . . . . ?
C79 C5 C321 C161 77.7(12) . . . . ?
C79 C5 C321 C323 -169.1(11) . . . . ?
C79 C5 C321 C81 -41.8(15) . . . . ?
C317 C79 C5 C319 45(2) . . . . ?
C317 C79 C5 C321 -45.3(18) . . . . ?
C317 C159 C161 C319 -45.7(18) . . . . ?
C317 C159 C161 C321 49.9(19) . . . . ?
C159 C317 C325 C192 -174(2) . . . . ?
C319 C5 C321 C161 -27.5(11) . . . . ?
C319 C5 C321 C323 85.8(13) . . . . ?
C319 C5 C321 C81 -147.0(13) . . . . ?
C5 C79 C317 C159 0(2) . . . . ?
C5 C79 C317 C325 -180(2) . . . . ?
C5 C319 C161 C159 83.5(12) . . . . ?
C5 C319 C161 C321 -29.2(10) . . . . ?
C5 C321 C161 C159 -83.1(14) . . . . ?
C5 C321 C161 C319 27.9(11) . . . . ?
C161 C319 C5 C79 -79.7(13) . . . . ?
C161 C319 C5 C321 28.5(11) . . . . ?
C323 C321 C161 C159 163.5(15) . . . . ?
C323 C321 C161 C319 -85.4(15) . . . . ?
C81 C321 C161 C159 31.9(19) . . . . ?
C81 C321 C161 C319 143.0(14) . . . . ?
C325 C192 N9 Eu3 -167(2) . . . . ?
C325 C192 N9 C37 -2(2) . . . . ?
C325 C192 C227 N12 -168(2) . . . . ?
C325 C192 C227 C199 9(2) . . . . ?
C325 C317 C159 C161 179(3) . . . . ?
C163 C327 C41 C329 0(4) . . . . ?
C327 C163 C331 C165 10(6) . . . . ?
C327 C41 C329 C165 1(3) . . . . ?
C327 C41 C329 C333 179.1(19) . . . . ?
C41 C329 C165 C331 3(2) . . . . ?
C41 C329 C333 C83 -118.1(17) . . . . ?
C41 C329 C333 C167 2(2) . . . . ?
C41 C329 C333 C335 124.3(18) . . . . ?
C329 C165 C331 C163 -8(4) . . . . ?
C165 C329 C333 C83 59.6(18) . . . . ?
C165 C329 C333 C167 179.4(15) . . . . ?
C165 C329 C333 C335 -58.0(16) . . . . ?
C331 C163 C327 C41 -6(6) . . . . ?
C333 C329 C165 C331 -175.4(14) . . . . ?
C21 C337 C169 C339 90(2) . . . . ?
C21 C337 C169 C85 -145(2) . . . . ?
C21 C337 C169 C341 -29.7(14) . . . . ?
C21 C341 C171 C9 -46(3) . . . . ?
C337 C146 C9 C113 -168.0(13) . . . . ?
C337 C146 C9 C171 -2(2) . . . . ?
C337 C21 C341 C169 -30.9(14) . . . . ?
C337 C21 C341 C171 79(2) . . . . ?
C337 C169 C341 C21 29.7(14) . . . . ?
C337 C169 C341 C171 -79.7(19) . . . . ?
C169 C341 C171 C9 44(3) . . . . ?
C339 C169 C341 C21 -84(2) . . . . ?
C339 C169 C341 C171 166(2) . . . . ?
C85 C169 C341 C21 145.7(18) . . . . ?
C85 C169 C341 C171 36(2) . . . . ?
C341 C21 C337 C146 -77.6(19) . . . . ?
C341 C21 C337 C169 31.0(15) . . . . ?
C74 C246 C300 C212 12.3(14) . . . . ?
C74 C246 C300 C268 -168.2(12) . . . . ?
C1A C246 C300 C212 128.2(11) . . . . ?
C1A C246 C300 C268 -52.3(12) . . . . ?
C1B C246 C300 C212 -112.6(13) . . . . ?
C1B C246 C300 C268 66.9(14) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 196 electrons were 
found in a volume of 955Å³ in 5 voids per unit cell. 
This is consistent with the presence of 
3[C2H3N], 2[C2H3N], 2[C2H3N], 1[C2H3N], 1[C2H3N] per Unit Cell 
which account for 198 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.203 0.053 0.905 371 90 '3 MeCN'
2 0.165 0.772 0.079 172 26 '2 MeCN'
3 0.203 0.201 0.521 208 37 '2 MeCN'
4 0.168 0.988 0.302 10 1 ' '
5 0.294 0.682 0.617 79 19 '1 MeCN'
6 0.247 0.539 0.771 13 4 ' '
7 0.548 0.093 0.657 7 0 ' '
8 0.842 0.699 0.452 125 24 '1 MeCN'
9 0.947 0.477 0.007 12 0 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.173
_oxdiff_exptl_absorpt_empirical_full_min 0.850
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.960(2)
2 0.040(2)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5
_database_code_depnum_ccdc_archive 'CCDC 2214396'
loop_
_audit_author_name
_audit_author_address
'Xiang-Jian kong'
;Xiamen University
China
;
_audit_update_record             
;
2022-11-29 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C144 H166 Eu2 N4 O26 Ti4'
_chemical_formula_sum            'C144 H166 Eu2 N4 O26 Ti4'
_chemical_formula_weight         2864.32
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Eu2 Ti4 C H O N'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti 0.2191 1.8069 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   16.46530(10)
_cell_length_b                   18.56690(10)
_cell_length_c                   26.3060(2)
_cell_angle_alpha                76.7580(10)
_cell_angle_beta                 81.8710(10)
_cell_angle_gamma                78.6230(10)
_cell_volume                     7635.24(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    156571
_cell_measurement_temperature    100.00(13)
_cell_measurement_theta_max      76.8280
_cell_measurement_theta_min      2.5160
_shelx_estimated_absorpt_T_max   0.567
_shelx_estimated_absorpt_T_min   0.298
_exptl_absorpt_coefficient_mu    7.996
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            278762
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.891
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.262
_diffrn_reflns_theta_min         1.734
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -12.00  14.00   0.50    0.20    --  -47.87  35.00-173.00   52
  2  ω   -103.00 -78.00   0.50    0.20    --  -47.87 -35.00  29.00   50
  3  ω     79.00 104.00   0.50    0.20    --   47.87  35.00-173.00   50
  4  ω    -25.00  29.00   0.50    0.20    --   47.87 -35.00  29.00  108
  5  ω   -136.00-110.00   0.50    0.60    --  -99.00 -35.00  29.00   52
  6  ω    124.00 174.00   0.50    0.60    --  105.19  35.00-173.00  100
  7  ω    -70.00  11.00   0.50    0.20    --    2.00 -41.00-146.54  162
  8  ω    -28.00  -3.00   0.50    0.20    --   10.00 111.00 -16.43   50
  9  ω    -58.00 -33.00   0.50    0.20    --   10.00 160.00  19.17   50
 10  ω    -11.00  15.00   0.50    0.20    --   22.00 101.00-130.98   52
 11  ω     -6.00  26.00   0.50    0.20    --   22.00  98.00 -31.74   64
 12  ω     13.00  42.00   0.50    0.20    --   38.00  88.00 107.90   58
 13  ω     10.00  39.00   0.50    0.20    --   38.00  90.00 -88.79   58
 14  ω     13.00  38.00   0.50    0.20    --   42.00  92.00  -0.14   50
 15  ω     13.00  38.00   0.50    0.20    --   42.00  92.00 -73.04   50
 16  ω     14.00  39.00   0.50    0.20    --   42.00  90.00 165.07   50
 17  ω    -53.00 -27.00   0.50    0.20    --  -47.87 -77.00  60.00   52
 18  ω    -93.00 -25.00   0.50    0.20    --  -47.87 125.00 -30.00  136
 19  ω    -17.00  70.00   0.50    0.20    --   47.87 -77.00-120.00  174
 20  ω     32.00  70.00   0.50    0.20    --   54.00  77.00-138.51   76
 21  ω     34.00  60.00   0.50    0.20    --   54.00  75.00 -44.23   52
 22  ω     32.00 117.00   0.50    0.20    --   54.00  77.00  39.52  170
 23  ω     85.00 111.00   0.50    0.20    --   54.00  75.00 -44.23   52
 24  ω     32.00  60.00   0.50    0.20    --   54.00  77.00 149.42   56
 25  ω     67.00  93.00   0.50    0.20    --   54.00  77.00 149.42   52
 26  ω    -63.00 -37.00   0.50    0.20    --  -58.00 -74.00  32.57   52
 27  ω    -63.00 -37.00   0.50    0.20    --  -58.00 -75.00  61.30   52
 28  ω     36.00  61.00   0.50    0.20    --   58.00  77.00  -9.22   50
 29  ω     37.00  62.00   0.50    0.20    --   58.00  76.00-169.05   50
 30  ω     37.00  63.00   0.50    0.20    --   58.00  75.00-118.16   52
 31  ω     38.00  65.00   0.50    0.20    --   58.00  74.00 -63.41   54
 32  ω     37.00  63.00   0.50    0.20    --   58.00  76.00 151.15   52
 33  ω    -97.00 -41.00   0.50    0.20    --  -62.00 -75.00 -29.25  112
 34  ω     40.00  82.00   0.50    0.20    --   62.00  77.00 -41.39   84
 35  ω     42.00  67.00   0.50    0.20    --   62.00  74.00 107.04   50
 36  ω    -69.00 -44.00   0.50    0.20    --  -66.00 -77.00-155.58   50
 37  ω     46.00  72.00   0.50    0.20    --   66.00  73.00  23.40   52
 38  ω     44.00  70.00   0.50    0.20    --   66.00  77.00-110.36   52
 39  ω     45.00  71.00   0.50    0.20    --   66.00  76.00  36.57   52
 40  ω     47.00  82.00   0.50    0.20    --   66.00  71.00-173.54   70
 41  ω    -74.00 -48.00   0.50    0.20    --  -70.00 -77.00  43.15   52
 42  ω    -77.00 -51.00   0.50    0.20    --  -70.00 -73.00-116.18   52
 43  ω    -73.00 -48.00   0.50    0.20    --  -70.00 -77.00-164.80   50
 44  ω     49.00  75.00   0.50    0.20    --   70.00  76.00 145.51   52
 45  ω     81.00 123.00   0.50    0.20    --   70.00  77.00-170.42   84
 46  ω     48.00  76.00   0.50    0.20    --   70.00  77.00-170.42   56
 47  ω     49.00  78.00   0.50    0.20    --   70.00  75.00 113.55   58
 48  ω    -80.00 -54.00   0.50    0.60    --  -74.00 -75.00 -39.29   52
 49  ω     53.00  79.00   0.50    0.20    --   74.00  76.00 -40.43   52
 50  ω    -83.00 -57.00   0.50    0.60    --  -78.00 -75.00 -84.38   52
 51  ω    -83.00 -57.00   0.50    0.60    --  -78.00 -74.00 117.83   52
 52  ω    -94.00 -56.00   0.50    0.60    --  -78.00 -77.00 -12.46   76
 53  ω    -83.00 -57.00   0.50    0.60    --  -78.00 -74.00 -76.02   52
 54  ω   -150.00-124.00   0.50    0.60    --  -82.00 -74.00 159.90   52
 55  ω    -87.00 -61.00   0.50    0.60    --  -82.00 -75.00  71.21   52
 56  ω    -86.00 -61.00   0.50    0.60    --  -82.00 -77.00  21.13   50
 57  ω    -88.00 -61.00   0.50    0.60    --  -82.00 -74.00-127.83   54
 58  ω    -92.00 -62.00   0.50    0.60    --  -82.00 -74.00 159.90   60
 59  ω    -97.00 -61.00   0.50    0.60    --  -82.00 -74.00 177.72   72
 60  ω    -88.00 -63.00   0.50    0.60    --  -82.00 -71.00 104.12   50
 61  ω    -86.00 -61.00   0.50    0.60    --  -82.00 -76.00  35.06   50
 62  ω    -91.00 -66.00   0.50    0.60    --  -86.00 -73.00  89.00   50
 63  ω   -100.00 -66.00   0.50    0.60    --  -86.00 -73.00-140.73   68
 64  ω   -136.00-111.00   0.50    0.60    --  -86.00 -73.00-140.73   50
 65  ω    -94.00 -66.00   0.50    0.60    --  -86.00 -72.00  49.62   56
 66  ω    -94.00 -68.00   0.50    0.60    --  -86.00 -73.00 -51.24   52
 67  ω    -97.00 -66.00   0.50    0.60    --  -86.00 -73.00 146.41   62
 68  ω    -92.00 -66.00   0.50    0.60    --  -86.00 -75.00-101.79   52
 69  ω   -107.00 -67.00   0.50    0.60    --  -86.00 -70.00  -1.98   80
 70  ω   -158.00-123.00   0.50    0.60    --  -86.00 -70.00  -1.98   70
 71  ω   -125.00 -66.00   0.50    0.60    --  -86.00 -74.00  12.98  118
 72  ω   -157.00-131.00   0.50    0.60    --  -86.00 -74.00  12.98   52
 73  ω    -97.00 -66.00   0.50    0.60    --  -86.00 -72.00-161.06   62
 74  ω    -96.00 -69.00   0.50    0.60    --  -90.00 -75.00 118.57   54
 75  ω   -148.00-119.00   0.50    0.60    --  -90.00 -75.00 118.57   58
 76  ω   -100.00 -70.00   0.50    0.60    --  -90.00 -72.00  43.63   60
 77  ω   -161.00-105.00   0.50    0.60    --  -90.00 -72.00  43.63  112
 78  ω    -95.00 -70.00   0.50    0.60    --  -90.00 -72.00 -66.67   50
 79  ω    -94.00 -69.00   0.50    0.60    --  -90.00 -74.00 -87.42   50
 80  ω   -157.00 -99.00   0.50    0.60    --  -90.00 -74.00 -87.42  116
 81  ω   -106.00 -70.00   0.50    0.60    --  -90.00 -75.00-142.73   72
 82  ω    -94.00 -69.00   0.50    0.60    --  -90.00 -75.00 -24.93   50
 83  ω   -157.00 -70.00   0.50    0.60    --  -90.00 -75.00  70.25  174
 84  ω   -161.00 -68.00   0.50    0.60    --  -90.00 -77.00-102.60  186
 85  ω   -158.00 -70.00   0.50    0.60    --  -90.00 -75.00 146.99  176
 86  ω    -99.00 -73.00   0.50    0.60    --  -94.00 -76.00 174.80   52
 87  ω   -145.00-119.00   0.50    0.60    --  -94.00 -76.00 174.80   52
 88  ω   -157.00 -77.00   0.50    0.60    --  -94.00 -67.00 -23.56  160
 89  ω   -166.00 -73.00   0.50    0.60    --  -94.00 -76.00 141.40  186
 90  ω   -132.00 -74.00   0.50    0.60    --  -94.00 -76.00   2.67  116
 91  ω   -165.00-139.00   0.50    0.60    --  -94.00 -76.00   2.67   52
 92  ω   -117.00 -75.00   0.50    0.60    --  -94.00 -69.00-125.68   84
 93  ω   -163.00-136.00   0.50    0.60    --  -94.00 -69.00-125.68   54
 94  ω   -171.00 -78.00   0.50    0.60    --  -99.00 -76.00 -26.80  186
 95  ω   -170.00 -79.00   0.50    0.60    --  -99.00 -76.00 108.36  182
 96  ω   -169.00 -80.00   0.50    0.60    --  -99.00 -73.00 -69.55  178
 97  ω   -170.00 -82.00   0.50    0.60    --  -99.00 -67.00  33.28  176
 98  ω   -135.00 -77.00   0.50    0.60    --  -99.00 -77.00   0.00  116
 99  ω   -169.00 -80.00   0.50    0.60    --  -99.00 -77.00 -60.00  178
100  ω   -168.00 -79.00   0.50    0.60    --  -99.00 -75.00  94.19  178
101  ω    -73.00 -37.00   0.50    0.60    --  -99.00 106.00  74.47   72
102  ω   -171.00 -80.00   0.50    0.60    --  -99.00 -70.00-175.14  182
103  ω   -107.00 -81.00   0.50    0.60    --  -99.00 106.00  74.47   52
104  ω   -171.00 -78.00   0.50    0.60    --  -99.00 -75.00-159.67  186
105  ω    -56.00 -31.00   0.50    0.60    --  -99.00 109.00 -73.20   50
106  ω   -108.00 -68.00   0.50    0.60    --  -99.00 109.00 -73.20   80
107  ω     33.00  73.00   0.50    0.60    --  105.19 -61.00 150.00   80
108  ω     39.00 105.00   0.50    0.60    --  105.19-125.00 -60.00  132
109  ω     33.00  72.00   0.50    0.60    --  105.19 -61.00  90.00   78
110  ω     34.00  67.00   0.50    0.60    --  105.19 -61.00 -30.00   66
111  ω     55.00 112.00   0.50    0.60    --  105.19-125.00 -90.00  114
112  ω     37.00 112.00   0.50    0.60    --  105.19-125.00  30.00  150
113  ω     82.00 107.00   0.50    0.60    --  105.19 -77.00 150.00   50
114  ω     36.00  68.00   0.50    0.60    --  105.19 -77.00 150.00   64
115  ω     36.00 112.00   0.50    0.60    --  105.19-125.00  60.00  152
116  ω     39.00  71.00   0.50    0.60    --  105.19 -61.00 120.00   64
117  ω     65.00 112.00   0.50    0.60    --  105.19-125.00-150.00   94
118  ω     36.00  84.00   0.50    0.60    --  105.19 -95.00 -60.00   96
119  ω     63.00 112.00   0.50    0.60    --  105.19-125.00   0.00   98
120  ω     42.00 112.00   0.50    0.60    --  105.19-125.00 150.00  140
121  ω     42.00 104.00   0.50    0.60    --  105.19 -95.00  60.00  124
122  ω     39.00  68.00   0.50    0.60    --  105.19 -61.00-180.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0914241000
_diffrn_orient_matrix_UB_12      -0.0381024000
_diffrn_orient_matrix_UB_13      -0.0084682000
_diffrn_orient_matrix_UB_21      -0.0246287000
_diffrn_orient_matrix_UB_22      -0.0768861000
_diffrn_orient_matrix_UB_23      0.0260368000
_diffrn_orient_matrix_UB_31      -0.0154043000
_diffrn_orient_matrix_UB_32      -0.0110309000
_diffrn_orient_matrix_UB_33      -0.0539176000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.869
_reflns_Friedel_fraction_full    0.932
_reflns_Friedel_fraction_max     0.828
_reflns_number_gt                51655
_reflns_number_total             57733
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.119a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.751
_refine_diff_density_min         -1.234
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.054(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3309
_refine_ls_number_reflns         57733
_refine_ls_number_restraints     3694
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0473
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.043
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0640P)²+7.6767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1235
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.946(3)
 0.054(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 H26E-H303_$1
 2.12 with sigma of 0.01
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
6.a Ternary CH refined with riding coordinates:
 C171(H171), C213(H213), C229(H229), C17(H17), C277(H277), C285(H285),
 C301(H301), C155(H155)
6.b Secondary CH2 refined with riding coordinates:
 C206(H20A,H20B), C278(H27G,H27H), C45(H45A,H45B), C129(H12J,H12K), C289(H28G,
 H28H), C73(H73A,H73B), C305(H30I,H30J), C309(H30D,H30E)
6.c Me refined with riding coordinates:
 C313(H31G,H31H,H31I)
6.d Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C10(H10), C12(H12), C14(H14), C16(H16), C18(H18), C22(H22),
 C28(H28), C30(H30), C34(H34), C42(H42), C50(H50), C52(H52), C54(H54), C58(H58),
  C62(H62), C70(H70), C72(H72), C76(H76), C78(H78), C80(H80), C82(H82),
 C84(H84), C90(H90), C104(H104), C106(H106), C124(H124), C130(H130), C132(H132),
  C140(H140), C144(H144), C146(H146), C158(H158), C162(H162), C168(H168),
 C176(H176), C186(H186), C194(H194), C196(H196), C200(H200), C212(H212),
 C220(H220), C222(H222), C224(H224), C228(H228), C244(H244), C246(H246),
 C248(H248), C250(H250), C258(H258), C268(H268), C282(H282), C286(H286),
 C290(H290), C298(H298), C300(H300), C302(H302), C79(H79), C159(H159),
 C161(H161), C41(H41), C165(H165), C169(H169), C173(H173), C87(H87), C177(H177),
  C91(H91), C3(H3), C97(H97), C195(H195), C197(H197), C99(H99), C207(H207),
 C217(H217), C219(H219), C221(H221), C7(H7), C225(H225), C227(H227), C57(H57),
 C115(H115), C231(H231), C235(H235), C243(H243), C247(H247), C249(H249),
 C125(H125), C63(H63), C2(H2), C131(H131), C33(H33), C267(H267), C271(H271),
 C273(H273), C137(H137), C141(H141), C147(H147), C37(H37), C297(H297),
 C149(H149), C299(H299), C151(H151), C303(H303)
6.e Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C100(H10D,H10E,H10F), C102(H10A,H10B,H10C), C110(H11A,
 H11B,H11C), C112(H11D,H11E,H11F), C114(H11G,H11H,H11I), C120(H12A,H12B,H12C),
 C122(H12D,H12E,H12F), C128(H12G,H12H,H12I), C150(H15D,H15E,H15F), C188(H18A,
 H18B,H18C), C202(H20F,H20G,H20H), C210(H21A,H21B,H21C), C218(H21G,H21H,H21I),
 C236(H23A,H23B,H23C), C240(H24A,H24B,H24C), C252(H25J,H25K,H25L), C260(H26M,
 H26N,H26O), C262(H26P,H26Q,H26R), C264(H26A,H26B,H26C), C270(H27A,H27B,H27C),
 C284(H28I,H28J,H28K), C288(H28A,H28B,H28C), C296(H29A,H29B,H29C), C304(H30F,
 H30G,H30H), C39(H39A,H39B,H39C), C81(H81A,H81B,H81C), C43(H43A,H43B,H43C),
 C11(H11J,H11K,H11L), C187(H18D,H18E,H18F), C47(H47A,H47B,H47C), C25(H25A,H25B,
 H25C), C101(H10G,H10H,H10I), C203(H20C,H20D,H20E), C209(H20I,H20J,H20K),
 C211(H21D,H21E,H21F), C53(H53A,H53B,H53C), C215(H21J,H21K,H21L), C113(H11M,
 H11N,H11O), C29(H29D,H29E,H29F), C121(H12L,H12M,H12N), C61(H61A,H61B,H61C),
 C31(H31A,H31B,H31C), C251(H25D,H25E,H25F), C253(H25M,H25N,H25O), C127(H12O,
 H12P,H12Q), C255(H25P,H25Q,H25R), C257(H25G,H25H,H25I), C259(H25S,H25T,H25U),
 C65(H65A,H65B,H65C), C261(H26D,H26E,H26F), C265(H26G,H26H,H26I), C133(H13A,
 H13B,H13C), C67(H67A,H67B,H67C), C269(H26J,H26K,H26L), C135(H13D,H13E,H13F),
 C275(H27I,H27J,H27K), C279(H27D,H27E,H27F), C283(H28D,H28E,H28F), C71(H71A,
 H71B,H71C), C143(H14A,H14B,H14C), C295(H29G,H29H,H29I), C75(H75A,H75B,H75C),
 C19(H19A,H19B,H19C), C153(H15A,H15B,H15C), C307(H30A,H30B,H30C), C311(H31D,
 H31E,H31F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.71787(3) 0.75482(3) 0.14889(2) 0.03089(12) Uani 1 1 d . U . . .
Eu4 Eu 0.37719(2) 0.25506(2) 0.64792(2) 0.02625(11) Uani 1 1 d . U . . .
Eu2 Eu 0.17561(2) 0.23392(2) 0.85912(2) 0.02581(11) Uani 1 1 d . U . . .
Eu3 Eu 0.82906(3) 0.74508(3) 0.36233(2) 0.03209(12) Uani 1 1 d . U . . .
Ti1 Ti 0.17599(8) 0.20948(8) 0.72077(5) 0.0258(3) Uani 1 1 d . U . . .
Ti4 Ti 0.31664(8) 0.11973(8) 0.76985(5) 0.0261(3) Uani 1 1 d . U . . .
Ti6 Ti 0.77601(10) 0.62659(9) 0.27739(6) 0.0336(3) Uani 1 1 d . U . . .
Ti8 Ti 0.90406(9) 0.70847(9) 0.22483(6) 0.0345(3) Uani 1 1 d . U . . .
Ti2 Ti 0.64185(9) 0.79162(9) 0.28609(6) 0.0315(3) Uani 1 1 d . U . . .
Ti5 Ti 0.23592(8) 0.36986(8) 0.73723(5) 0.0259(3) Uani 1 1 d . U . . .
Ti3 Ti 0.37659(8) 0.27999(8) 0.78697(6) 0.0260(3) Uani 1 1 d . U . . .
Ti7 Ti 0.77046(10) 0.87340(9) 0.23450(6) 0.0334(3) Uani 1 1 d . U . . .
O1 O 0.6882(3) 0.8264(3) 0.2159(2) 0.0346(11) Uani 1 1 d . U . . .
O4 O 0.1624(3) 0.2335(3) 0.6428(2) 0.0351(12) Uani 1 1 d . U . . .
O6 O 0.2879(3) 0.4569(3) 0.7537(2) 0.0313(11) Uani 1 1 d . U . . .
O8 O 1.0118(3) 0.7312(3) 0.2454(2) 0.0379(12) Uani 1 1 d . U . . .
O10 O 0.5047(3) 0.2578(3) 0.7672(2) 0.0297(11) Uani 1 1 d . U . . .
O12 O 0.1556(3) 0.1044(3) 0.7145(2) 0.0297(11) Uani 1 1 d . U . . .
O14 O 0.2712(3) 0.1266(3) 0.8932(2) 0.0307(11) Uani 1 1 d . U . . .
O16 O 0.3464(3) 0.3218(3) 0.7175(2) 0.0263(10) Uani 1 1 d . U . . .
O18 O 0.7089(4) 0.6233(3) 0.1575(2) 0.0422(13) Uani 1 1 d . U . . .
O20 O 0.2635(3) 0.2705(3) 0.9117(2) 0.0307(11) Uani 1 1 d . U . . .
O22 O 0.3750(3) 0.1815(3) 0.7882(2) 0.0289(10) Uani 1 1 d . U . . .
N1 N 0.6133(4) 0.8672(4) 0.1039(3) 0.0374(14) Uani 1 1 d . U . . .
O24 O 0.3273(3) 0.0466(3) 0.8408(2) 0.0303(11) Uani 1 1 d . U . . .
O26 O 0.6994(3) 0.7850(3) 0.4110(2) 0.0350(12) Uani 1 1 d . U . . .
O28 O 0.1330(3) 0.4250(3) 0.7729(2) 0.0319(11) Uani 1 1 d . U . . .
O30 O 0.5742(3) 0.8992(3) 0.2863(2) 0.0376(12) Uani 1 1 d . U . . .
O32 O 0.2904(3) 0.1792(3) 0.70355(19) 0.0266(10) Uani 1 1 d . U . . .
C1 C 0.2118(5) 0.2152(5) 0.6033(3) 0.0323(15) Uani 1 1 d . U . . .
O34 O 0.1105(3) 0.3652(3) 0.8567(2) 0.0326(11) Uani 1 1 d . U . . .
O36 O 0.5874(3) 0.7347(3) 0.1907(2) 0.0392(12) Uani 1 1 d . U . . .
O38 O 0.7698(4) 0.6370(3) 0.4005(2) 0.0372(12) Uani 1 1 d . U . . .
O40 O 0.4205(3) 0.0664(3) 0.7346(2) 0.0316(11) Uani 1 1 d . U . . .
O42 O 0.6749(4) 0.9641(3) 0.2458(2) 0.0401(13) Uani 1 1 d . U . . .
O44 O 0.9472(4) 0.7221(3) 0.1473(2) 0.0393(13) Uani 1 1 d . U . . .
N4 N 0.1017(4) 0.1173(4) 0.8988(3) 0.0367(14) Uani 1 1 d . U . . .
O46 O 0.2625(3) 0.3107(3) 0.80353(19) 0.0264(10) Uani 1 1 d . U . . .
O48 O 0.7368(3) 0.8210(3) 0.3024(2) 0.0334(11) Uani 1 1 d . U . . .
O49 O 0.0537(3) 0.2599(3) 0.8181(2) 0.0340(11) Uani 1 1 d . U . . .
O25 O 0.4419(3) 0.1233(3) 0.6494(2) 0.0343(12) Uani 1 1 d . U . . .
O13 O 0.8625(3) 0.8089(3) 0.2187(2) 0.0359(11) Uani 1 1 d . U . . .
O27 O 0.8342(4) 0.9278(3) 0.2694(2) 0.0398(13) Uani 1 1 d . U . . .
C4 C 0.9952(6) 0.4704(6) 0.2284(4) 0.050(2) Uani 1 1 d . U . . .
O7 O 0.1780(3) 0.3081(3) 0.7194(2) 0.0265(10) Uani 1 1 d . U . . .
O29 O 0.7871(4) 0.9418(3) 0.1626(2) 0.0407(13) Uani 1 1 d . U . . .
O15 O 0.7115(4) 0.5713(3) 0.2432(2) 0.0406(13) Uani 1 1 d . U . . .
C6 C 0.3326(6) 0.5852(5) 0.7750(4) 0.046(2) Uani 1 1 d . U . . .
H6 H 0.296301 0.593790 0.748369 0.055 Uiso 1 1 calc R U . . .
O31 O 0.7623(4) 0.5573(3) 0.3497(2) 0.0388(12) Uani 1 1 d . U . . .
O2 O 0.5985(3) 0.7776(3) 0.3644(2) 0.0376(12) Uani 1 1 d . U . . .
O33 O 0.4982(3) 0.2277(3) 0.6906(2) 0.0339(12) Uani 1 1 d . U . . .
O17 O 0.3975(3) 0.3845(3) 0.7932(2) 0.0321(11) Uani 1 1 d . U . . .
O35 O 0.6846(3) 0.6918(3) 0.2931(2) 0.0332(11) Uani 1 1 d . U . . .
C8 C 0.2817(5) 0.4869(5) 0.5261(3) 0.0338(16) Uani 1 1 d . U . . .
H8 H 0.315699 0.440851 0.521245 0.041 Uiso 1 1 calc R U . . .
O9 O 0.2263(3) 0.4425(3) 0.6665(2) 0.0303(11) Uani 1 1 d . U . . .
O37 O 0.8101(3) 0.6797(3) 0.2095(2) 0.0333(11) Uani 1 1 d . U . . .
O19 O 0.8716(4) 0.5351(3) 0.2660(3) 0.0451(14) Uani 1 1 d . U . . .
O39 O 0.2065(3) 0.1677(3) 0.78940(19) 0.0253(10) Uani 1 1 d . U . . .
C10 C 0.9633(5) 0.6610(5) 0.0242(3) 0.0375(17) Uani 1 1 d . U . . .
H10 H 0.906621 0.674843 0.017157 0.045 Uiso 1 1 calc R U . . .
C12 C 0.0608(7) 0.1396(7) 0.5433(4) 0.059(2) Uani 1 1 d . U . . .
H12 H 0.006029 0.128316 0.551611 0.071 Uiso 1 1 calc R U . . .
C14 C 0.0828(6) 0.2893(6) 0.9717(4) 0.051(2) Uani 1 1 d . U . . .
H14 H 0.103173 0.333194 0.952543 0.061 Uiso 1 1 calc R U . . .
C16 C 0.5688(5) -0.0028(4) 0.6358(3) 0.0340(16) Uani 1 1 d . U . . .
H16 H 0.571348 0.042071 0.609963 0.041 Uiso 1 1 calc R U . . .
C18 C 0.7312(5) 0.0969(5) 0.6918(4) 0.0411(18) Uani 1 1 d . U . . .
H18 H 0.749362 0.066255 0.666593 0.049 Uiso 1 1 calc R U . . .
O5 O 0.2874(3) 0.2207(3) 0.5952(2) 0.0341(11) Uani 1 1 d . U . . .
C20 C 0.3346(5) -0.1204(5) 1.0199(3) 0.0383(17) Uani 1 1 d . U . . .
C22 C 0.8353(6) 1.0170(6) 0.3779(4) 0.0476(19) Uani 1 1 d . U . . .
H22 H 0.858204 0.974713 0.402765 0.057 Uiso 1 1 calc R U . . .
C24 C -0.2338(5) 0.3873(5) 0.7839(4) 0.0378(17) Uani 1 1 d . U . . .
C26 C 0.4865(6) 0.3227(6) 0.5308(4) 0.052(2) Uani 1 1 d . U . . .
C28 C 0.5204(6) 0.8701(6) 0.5207(4) 0.047(2) Uani 1 1 d . U . . .
H28 H 0.536794 0.879271 0.551497 0.057 Uiso 1 1 calc R U . . .
C30 C 0.3339(5) 0.6540(5) 0.2675(4) 0.0422(18) Uani 1 1 d . U . . .
H30 H 0.286376 0.657819 0.292462 0.051 Uiso 1 1 calc R U . . .
C32 C -0.3244(7) 0.5138(6) 0.7739(6) 0.072(3) Uani 1 1 d . U . . .
H32A H -0.289527 0.527994 0.795961 0.109 Uiso 1 1 calc R U . . .
H32B H -0.381609 0.540528 0.778858 0.109 Uiso 1 1 calc R U . . .
H32C H -0.302587 0.527263 0.736954 0.109 Uiso 1 1 calc R U . . .
C34 C 0.3530(6) 0.6462(5) 0.7907(4) 0.048(2) Uani 1 1 d . U . . .
H34 H 0.331874 0.695816 0.773420 0.057 Uiso 1 1 calc R U . . .
C36 C 0.9426(6) 0.5401(5) 0.2409(4) 0.0449(19) Uani 1 1 d . U . . .
O41 O 0.9721(4) 0.6008(4) 0.2258(3) 0.0432(13) Uani 1 1 d . U . . .
C38 C 0.2398(5) 0.4927(4) 0.5756(3) 0.0312(15) Uani 1 1 d . U . . .
C40 C 0.6240(5) 0.7929(4) 0.4038(3) 0.0316(15) Uani 1 1 d . U . . .
C42 C 0.8319(7) 1.1055(6) 0.0293(4) 0.053(2) Uani 1 1 d . U . . .
H42 H 0.853583 1.148394 0.031449 0.063 Uiso 1 1 calc R U . . .
C44 C 1.0126(5) 0.7664(5) 0.2811(3) 0.0364(16) Uani 1 1 d . U . . .
C46 C -0.0700(4) 0.3062(4) 0.7783(3) 0.0277(14) Uani 1 1 d . U . . .
C48 C 1.0830(5) 0.8075(5) 0.2787(3) 0.0356(16) Uani 1 1 d . U . . .
C50 C 0.5704(7) 1.0996(5) 0.2565(5) 0.056(2) Uani 1 1 d . U . . .
H50 H 0.617859 1.103046 0.231512 0.067 Uiso 1 1 calc R U . . .
C52 C -0.0192(6) 0.6207(5) 0.8027(4) 0.044(2) Uani 1 1 d . U . . .
H52 H -0.016917 0.667256 0.778633 0.053 Uiso 1 1 calc R U . . .
C54 C 0.1885(5) 0.5606(5) 0.5809(3) 0.0355(17) Uani 1 1 d . U . . .
H54 H 0.158617 0.565638 0.613889 0.043 Uiso 1 1 calc R U . . .
O56 O 0.0481(3) 0.2316(3) 0.7403(2) 0.0292(11) Uani 1 1 d . U . . .
N8 N 0.0926(4) 0.2292(4) 0.9495(3) 0.0374(14) Uani 1 1 d . U . . .
C58 C 0.0400(5) 0.5575(5) 0.7952(4) 0.0420(19) Uani 1 1 d . U . . .
H58 H 0.080922 0.561590 0.765798 0.050 Uiso 1 1 calc R U . . .
C60 C 0.1081(7) 0.1230(7) 0.4979(4) 0.061(2) Uani 1 1 d . U . . .
C62 C 0.3553(7) 0.3555(6) 1.0207(4) 0.055(2) Uani 1 1 d . U . . .
H62 H 0.320070 0.366090 1.050874 0.066 Uiso 1 1 calc R U . . .
N10 N 0.8700(4) 0.7508(5) 0.4514(3) 0.0429(15) Uani 1 1 d . U . . .
C64 C 0.9864(5) 0.6750(5) 0.0684(3) 0.0343(16) Uani 1 1 d . U . . .
C66 C 0.5996(5) 0.8749(5) 0.0532(3) 0.0381(16) Uani 1 1 d . U . . .
C68 C 0.4368(6) 0.8925(6) 0.5111(4) 0.050(2) Uani 1 1 d . U . . .
C70 C 0.3965(5) 0.6934(5) 0.2686(3) 0.0362(17) Uani 1 1 d . U . . .
H70 H 0.392581 0.721940 0.294869 0.043 Uiso 1 1 calc R U . . .
C72 C -0.1244(5) 0.3018(5) 0.7440(4) 0.0355(16) Uani 1 1 d . U . . .
H72 H -0.106299 0.272196 0.718168 0.043 Uiso 1 1 calc R U . . .
C74 C 0.2516(4) 0.4293(4) 0.6204(3) 0.0281(14) Uani 1 1 d . U . . .
C76 C 0.7876(7) 1.0703(6) 0.2936(4) 0.057(2) Uani 1 1 d . U . . .
H76 H 0.777700 1.065171 0.259953 0.068 Uiso 1 1 calc R U . . .
C78 C 0.3263(6) 0.3228(5) 0.9876(4) 0.046(2) Uani 1 1 d . U . . .
H78 H 0.271701 0.311041 0.995416 0.055 Uiso 1 1 calc R U . . .
O21 O 0.7852(4) 0.8597(3) 0.1123(2) 0.0388(12) Uani 1 1 d . U . . .
C80 C 0.4140(5) 0.5011(4) 0.8396(3) 0.0336(16) Uani 1 1 d . U . . .
H80 H 0.434527 0.451618 0.857425 0.040 Uiso 1 1 calc R U . . .
C82 C 0.0928(6) 0.1720(6) 0.5757(4) 0.048(2) Uani 1 1 d . U . . .
H82 H 0.059845 0.184381 0.606156 0.057 Uiso 1 1 calc R U . . .
C84 C 0.9152(6) 0.7646(7) 0.5462(4) 0.054(2) Uani 1 1 d . U . . .
H84 H 0.931328 0.768925 0.578501 0.065 Uiso 1 1 calc R U . . .
O86 O 0.9582(4) 0.7686(4) 0.3193(2) 0.0430(13) Uani 1 1 d . U . . .
C88 C 0.2698(6) 0.5646(6) 0.2298(4) 0.052(2) Uani 1 1 d . U . . .
C90 C 0.8252(7) 1.0489(5) 0.0736(4) 0.048(2) Uani 1 1 d . U . . .
H90 H 0.837406 1.055339 0.106374 0.058 Uiso 1 1 calc R U . . .
C92 C 0.4519(5) 0.0684(4) 0.6870(3) 0.0293(15) Uani 1 1 d . U . . .
O43 O 0.8345(4) 0.8755(3) 0.3554(2) 0.0396(12) Uani 1 1 d . U . . .
C94 C 0.4494(7) 1.1601(6) 0.3045(6) 0.069(3) Uani 1 1 d . U . . .
O11 O 0.8473(3) 0.7111(4) 0.1007(2) 0.0398(13) Uani 1 1 d . U . . .
N14 N 0.6734(4) 0.7481(4) 0.0601(3) 0.0344(13) Uani 1 1 d . U . . .
C96 C 0.0758(6) 0.1025(5) 0.9504(4) 0.0435(17) Uani 1 1 d . U . . .
O45 O 0.3882(3) 0.2576(3) 0.8656(2) 0.0296(11) Uani 1 1 d . U . . .
N15 N 0.4577(4) 0.2584(5) 0.5582(3) 0.0425(15) Uani 1 1 d . U . . .
C98 C 0.3656(5) 0.5115(4) 0.7985(3) 0.0344(16) Uani 1 1 d . U . . .
C100 C 0.1337(8) -0.2114(7) 0.6083(5) 0.066(3) Uani 1 1 d . U . . .
H10D H 0.104397 -0.164269 0.588745 0.098 Uiso 1 1 calc R U . . .
H10E H 0.114775 -0.253878 0.600127 0.098 Uiso 1 1 calc R U . . .
H10F H 0.193782 -0.214775 0.598326 0.098 Uiso 1 1 calc R U . . .
C102 C 0.9689(7) 0.3667(7) 0.4393(5) 0.072(3) Uani 1 1 d . U . . .
H10A H 0.951873 0.404205 0.461331 0.108 Uiso 1 1 calc R U . . .
H10B H 0.971292 0.316243 0.461471 0.108 Uiso 1 1 calc R U . . .
H10C H 0.928539 0.374242 0.413777 0.108 Uiso 1 1 calc R U . . .
O23 O 0.2857(3) 0.3654(3) 0.6128(2) 0.0327(11) Uani 1 1 d . U . . .
C104 C 0.5200(7) 1.1637(6) 0.2679(5) 0.067(3) Uani 1 1 d . U . . .
H104 H 0.533366 1.211329 0.250495 0.080 Uiso 1 1 calc R U . . .
C106 C 0.6507(5) 0.1374(4) 0.6935(3) 0.0335(16) Uani 1 1 d . U . . .
H106 H 0.614438 0.134252 0.669302 0.040 Uiso 1 1 calc R U . . .
C108 C 0.2044(5) 0.0418(4) 0.7282(3) 0.0306(15) Uani 1 1 d . U . . .
C110 C -0.2357(5) 0.6594(6) 0.8516(4) 0.053(2) Uani 1 1 d . U . . .
H11A H -0.235658 0.640042 0.819933 0.080 Uiso 1 1 calc R U . . .
H11B H -0.280159 0.702993 0.852141 0.080 Uiso 1 1 calc R U . . .
H11C H -0.245189 0.620124 0.882744 0.080 Uiso 1 1 calc R U . . .
C112 C 0.9297(6) 0.0740(6) 0.7583(6) 0.069(3) Uani 1 1 d . U . . .
H11D H 0.929012 0.128212 0.751768 0.103 Uiso 1 1 calc R U . . .
H11E H 0.986989 0.048059 0.752191 0.103 Uiso 1 1 calc R U . . .
H11F H 0.907902 0.056343 0.794764 0.103 Uiso 1 1 calc R U . . .
C114 C -0.0446(7) -0.0872(6) 0.8921(5) 0.066(3) Uani 1 1 d . U . . .
H11G H -0.059396 -0.055542 0.858295 0.099 Uiso 1 1 calc R U . . .
H11H H -0.051248 -0.055937 0.918266 0.099 Uiso 1 1 calc R U . . .
H11I H -0.081125 -0.124888 0.903527 0.099 Uiso 1 1 calc R U . . .
C116 C 0.7127(5) 0.5680(5) 0.1946(3) 0.0396(17) Uani 1 1 d . U . . .
C118 C 0.3489(5) 0.4476(4) 0.7812(3) 0.0300(14) Uani 1 1 d . U . . .
C120 C 1.1430(7) 0.4876(6) -0.0338(6) 0.069(3) Uani 1 1 d . U . . .
H12A H 1.146671 0.458779 0.002289 0.104 Uiso 1 1 calc R U . . .
H12B H 1.181047 0.460382 -0.057916 0.104 Uiso 1 1 calc R U . . .
H12C H 1.085855 0.494333 -0.042789 0.104 Uiso 1 1 calc R U . . .
C122 C 1.2472(8) 1.0152(6) 0.2682(6) 0.071(3) Uani 1 1 d . U . . .
H12D H 1.291052 1.043554 0.269211 0.107 Uiso 1 1 calc R U . . .
H12E H 1.202105 1.024455 0.295783 0.107 Uiso 1 1 calc R U . . .
H12F H 1.225375 1.031351 0.233895 0.107 Uiso 1 1 calc R U . . .
C124 C 0.2737(6) 0.5478(5) 0.4843(3) 0.0412(19) Uani 1 1 d . U . . .
H124 H 0.302860 0.542614 0.451102 0.049 Uiso 1 1 calc R U . . .
O126 O 0.2645(3) 0.0339(3) 0.7535(2) 0.0329(11) Uani 1 1 d . U . . .
C128 C 0.7199(7) 1.1874(7) -0.0844(5) 0.071(3) Uani 1 1 d . U . . .
H12G H 0.717507 1.231654 -0.113195 0.106 Uiso 1 1 calc R U . . .
H12H H 0.679739 1.198827 -0.054907 0.106 Uiso 1 1 calc R U . . .
H12I H 0.706117 1.145481 -0.096528 0.106 Uiso 1 1 calc R U . . .
C130 C 1.1432(6) 0.8911(5) 0.3144(4) 0.0462(19) Uani 1 1 d . U . . .
H130 H 1.140141 0.921274 0.339593 0.055 Uiso 1 1 calc R U . . .
C132 C 0.9441(6) 0.7015(6) 0.5272(4) 0.055(2) Uani 1 1 d . U . . .
H132 H 0.978621 0.660963 0.547280 0.066 Uiso 1 1 calc R U . . .
C136 C 0.0983(5) 0.4213(5) 0.8199(3) 0.0314(15) Uani 1 1 d . U . . .
C138 C 0.3749(5) 0.3054(5) 0.9418(3) 0.0341(16) Uani 1 1 d . U . . .
C140 C 0.4326(5) 0.5615(4) 0.8548(4) 0.0371(17) Uani 1 1 d . U . . .
H140 H 0.466669 0.552660 0.882602 0.045 Uiso 1 1 calc R U . . .
C142 C 0.8010(6) 0.9840(5) 0.0704(3) 0.0397(17) Uani 1 1 d . U . . .
C144 C 1.0801(5) 0.8514(5) 0.3162(3) 0.0385(17) Uani 1 1 d . U . . .
H144 H 1.034667 0.853653 0.342757 0.046 Uiso 1 1 calc R U . . .
C146 C 0.5898(5) 0.9278(5) 0.1262(4) 0.0433(18) Uani 1 1 d . U . . .
H146 H 0.595960 0.921956 0.162355 0.052 Uiso 1 1 calc R U . . .
C148 C 0.8202(6) 1.0080(5) 0.3293(4) 0.0411(17) Uani 1 1 d . U . . .
C150 C 0.1835(7) 0.6632(6) 0.3980(4) 0.056(2) Uani 1 1 d . U . . .
H15D H 0.127273 0.652445 0.410428 0.085 Uiso 1 1 calc R U . . .
H15E H 0.218517 0.618918 0.387291 0.085 Uiso 1 1 calc R U . . .
H15F H 0.180688 0.705681 0.367878 0.085 Uiso 1 1 calc R U . . .
C152 C 0.5091(5) -0.0032(4) 0.6787(3) 0.0294(15) Uani 1 1 d . U . . .
C154 C 0.5351(4) 0.2267(4) 0.7291(3) 0.0303(15) Uani 1 1 d . U . . .
C156 C 0.0397(5) 0.4896(4) 0.8299(3) 0.0328(16) Uani 1 1 d . U . . .
C158 C 1.1284(5) 0.6241(5) 0.0433(4) 0.0466(19) Uani 1 1 d . U . . .
H158 H 1.185043 0.612901 0.050331 0.056 Uiso 1 1 calc R U . . .
C160 C 0.7854(8) 1.1492(6) 0.3545(4) 0.063(2) Uani 1 1 d . U . . .
C162 C 1.0060(6) 0.5646(5) 0.4806(4) 0.051(2) Uani 1 1 d . U . . .
H162 H 1.015413 0.560745 0.515964 0.061 Uiso 1 1 calc R U . . .
C164 C 0.3376(5) 0.6091(5) 0.2314(4) 0.0383(17) Uani 1 1 d . U . . .
C166 C 0.4028(5) 0.6359(4) 0.8306(4) 0.0366(16) Uani 1 1 d . U . . .
C168 C 0.6245(5) -0.0673(4) 0.6305(3) 0.0346(16) Uani 1 1 d . U . . .
H168 H 0.665295 -0.066001 0.601079 0.042 Uiso 1 1 calc R U . . .
C170 C 0.1868(5) -0.0242(4) 0.7102(3) 0.0298(14) Uani 1 1 d . U . . .
C172 C 0.1741(5) 0.1872(5) 0.5643(3) 0.0383(17) Uani 1 1 d . U . . .
C174 C 0.1152(6) -0.2133(5) 0.6676(4) 0.0460(19) Uani 1 1 d . U . . .
C176 C 0.1113(5) 0.0610(5) 0.8733(3) 0.0414(18) Uani 1 1 d . U . . .
H176 H 0.127460 0.071643 0.836602 0.050 Uiso 1 1 calc R U . . .
C178 C -0.0808(5) 0.6167(5) 0.8443(3) 0.0370(17) Uani 1 1 d . U . . .
C180 C 0.9246(5) 0.6947(6) 0.4793(4) 0.0440(18) Uani 1 1 d . U . . .
C182 C 0.7636(5) 0.5746(5) 0.3944(3) 0.0364(16) Uani 1 1 d . U . . .
C184 C 0.0164(4) 0.2628(4) 0.7787(3) 0.0290(15) Uani 1 1 d . U . . .
C186 C 0.7772(6) 0.4580(6) 0.5316(4) 0.048(2) Uani 1 1 d . U . . .
H186 H 0.793171 0.463357 0.563709 0.058 Uiso 1 1 calc R U . . .
C188 C 0.2849(6) 0.9497(7) 0.5309(5) 0.069(3) Uani 1 1 d . U . . .
H18A H 0.267198 0.901244 0.534515 0.103 Uiso 1 1 calc R U . . .
H18B H 0.282455 0.977557 0.494501 0.103 Uiso 1 1 calc R U . . .
H18C H 0.247852 0.978758 0.554348 0.103 Uiso 1 1 calc R U . . .
O47 O 0.5330(3) 0.7686(3) 0.2666(2) 0.0339(11) Uani 1 1 d . U . . .
C192 C 0.7908(5) 0.9232(5) 0.1181(3) 0.0365(16) Uani 1 1 d . U . . .
C194 C 1.1082(6) 0.4100(7) 0.1782(6) 0.072(3) Uani 1 1 d . U . . .
H194 H 1.153756 0.413818 0.151723 0.087 Uiso 1 1 calc R U . . .
C196 C 0.4741(5) 0.8394(5) 0.4323(4) 0.0441(19) Uani 1 1 d . U . . .
H196 H 0.457599 0.828046 0.402261 0.053 Uiso 1 1 calc R U . . .
C198 C -0.1514(5) 0.6827(5) 0.8517(4) 0.0433(19) Uani 1 1 d . U . . .
C200 C 0.1807(6) 0.6208(5) 0.5384(3) 0.0403(18) Uani 1 1 d . U . . .
H200 H 0.144781 0.666286 0.542564 0.048 Uiso 1 1 calc R U . . .
C202 C 0.6846(6) -0.2248(5) 0.6089(4) 0.046(2) Uani 1 1 d . U . . .
H20F H 0.730240 -0.265873 0.603591 0.069 Uiso 1 1 calc R U . . .
H20G H 0.689747 -0.180961 0.580447 0.069 Uiso 1 1 calc R U . . .
H20H H 0.631223 -0.240708 0.609128 0.069 Uiso 1 1 calc R U . . .
C204 C 0.8081(6) 1.1657(5) -0.0667(4) 0.051(2) Uani 1 1 d . U . . .
C206 C 1.1618(7) 0.4324(7) 0.3919(5) 0.072(3) Uani 1 1 d . U . . .
H20A H 1.201843 0.403390 0.369118 0.086 Uiso 1 1 calc R U . . .
H20B H 1.184620 0.474743 0.398212 0.086 Uiso 1 1 calc R U . . .
C208 C 1.2114(6) 0.8881(5) 0.2766(4) 0.0443(18) Uani 1 1 d . U . . .
C210 C 0.3778(8) 0.8988(7) 0.6038(5) 0.075(3) Uani 1 1 d . U . . .
H21A H 0.346440 0.933548 0.625469 0.112 Uiso 1 1 calc R U . . .
H21B H 0.435808 0.885691 0.612012 0.112 Uiso 1 1 calc R U . . .
H21C H 0.353041 0.853171 0.611196 0.112 Uiso 1 1 calc R U . . .
C212 C 0.6967(5) 0.6857(5) 0.0416(3) 0.0396(17) Uani 1 1 d . U . . .
H212 H 0.731417 0.644954 0.061353 0.048 Uiso 1 1 calc R U . . .
C214 C 0.0993(5) -0.0121(5) 0.8966(4) 0.0471(18) Uani 1 1 d . U . . .
O3 O 0.8572(3) 0.6739(3) 0.2944(2) 0.0336(11) Uani 1 1 d . U . . .
C216 C 0.3748(6) 0.9365(6) 0.5454(5) 0.059(2) Uani 1 1 d . U . . .
C218 C 0.2504(6) -0.1965(6) 1.0910(4) 0.059(3) Uani 1 1 d . U . . .
H21G H 0.223980 -0.211162 1.064667 0.089 Uiso 1 1 calc R U . . .
H21H H 0.218253 -0.149567 1.099362 0.089 Uiso 1 1 calc R U . . .
H21I H 0.252047 -0.236075 1.122844 0.089 Uiso 1 1 calc R U . . .
C220 C -0.2054(5) 0.3408(5) 0.7474(4) 0.0395(18) Uani 1 1 d . U . . .
H220 H -0.242753 0.336029 0.724391 0.047 Uiso 1 1 calc R U . . .
C222 C 0.4803(6) 1.0260(6) 0.3187(5) 0.054(2) Uani 1 1 d . U . . .
H222 H 0.466580 0.978821 0.336793 0.065 Uiso 1 1 calc R U . . .
C224 C 0.4706(5) 0.6468(5) 0.1952(3) 0.0384(17) Uani 1 1 d . U . . .
H224 H 0.518004 0.643670 0.170053 0.046 Uiso 1 1 calc R U . . .
C226 C 0.8759(5) 0.0574(5) 0.7216(4) 0.051(2) Uani 1 1 d . U . . .
C228 C -0.0973(5) 0.3527(4) 0.8140(3) 0.0322(16) Uani 1 1 d . U . . .
H228 H -0.060471 0.356352 0.837669 0.039 Uiso 1 1 calc R U . . .
C230 C 0.1446(5) -0.1481(5) 0.6813(4) 0.0406(17) Uani 1 1 d . U . . .
C232 C 0.2210(7) 0.6829(5) 0.4424(4) 0.049(2) Uani 1 1 d . U . . .
C234 C 0.7221(6) 0.4937(5) 0.1828(3) 0.0418(17) Uani 1 1 d . U . . .
C236 C 0.1908(6) 0.5876(7) 0.2632(7) 0.083(4) Uani 1 1 d . U . . .
H23A H 0.203329 0.582694 0.299320 0.124 Uiso 1 1 calc R U . . .
H23B H 0.150623 0.555217 0.262963 0.124 Uiso 1 1 calc R U . . .
H23C H 0.167107 0.639980 0.249100 0.124 Uiso 1 1 calc R U . . .
C238 C 0.4677(8) 0.4117(7) 1.0485(5) 0.072(3) Uani 1 1 d . U . . .
C240 C 0.3878(8) -0.2581(6) 1.0558(5) 0.068(3) Uani 1 1 d . U . . .
H24A H 0.385364 -0.298645 1.087000 0.102 Uiso 1 1 calc R U . . .
H24B H 0.445999 -0.252790 1.044357 0.102 Uiso 1 1 calc R U . . .
H24C H 0.363214 -0.270021 1.027604 0.102 Uiso 1 1 calc R U . . .
C242 C 1.0289(5) 0.5166(5) 0.4017(4) 0.0510(18) Uani 1 1 d . U . . .
C244 C 0.8176(7) 1.0850(6) 0.3899(4) 0.057(2) Uani 1 1 d . U . . .
H244 H 0.827260 1.089813 0.423609 0.068 Uiso 1 1 calc R U . . .
C246 C 0.0287(8) 0.1613(8) 1.0278(5) 0.073(3) Uani 1 1 d . U . . .
H246 H 0.012998 0.115633 1.047655 0.088 Uiso 1 1 calc R U . . .
C248 C 0.3730(6) -0.1278(5) 0.9708(4) 0.0419(19) Uani 1 1 d . U . . .
H248 H 0.406406 -0.174412 0.966715 0.050 Uiso 1 1 calc R U . . .
C250 C 1.0693(5) 0.6578(5) 0.0770(4) 0.0425(18) Uani 1 1 d . U . . .
H250 H 1.085996 0.669417 0.106879 0.051 Uiso 1 1 calc R U . . .
C252 C 0.1553(7) -0.2896(5) 0.6966(5) 0.058(3) Uani 1 1 d . U . . .
H25J H 0.134167 -0.329100 0.685996 0.087 Uiso 1 1 calc R U . . .
H25K H 0.141754 -0.293131 0.734539 0.087 Uiso 1 1 calc R U . . .
H25L H 0.215844 -0.295776 0.688177 0.087 Uiso 1 1 calc R U . . .
C258 C 0.1158(5) -0.0739(5) 0.6559(4) 0.0397(18) Uani 1 1 d . U . . .
H258 H 0.082752 -0.065156 0.627589 0.048 Uiso 1 1 calc R U . . .
C260 C 0.6765(7) -0.2724(5) 0.7066(4) 0.053(2) Uani 1 1 d . U . . .
H26M H 0.623256 -0.287618 0.705220 0.080 Uiso 1 1 calc R U . . .
H26N H 0.676476 -0.258519 0.740395 0.080 Uiso 1 1 calc R U . . .
H26O H 0.722022 -0.314239 0.702844 0.080 Uiso 1 1 calc R U . . .
C262 C 0.5405(10) 0.3624(9) 1.0720(6) 0.096(4) Uani 1 1 d . U . . .
H26P H 0.589575 0.364411 1.046193 0.144 Uiso 1 1 calc R U . . .
H26Q H 0.529797 0.310681 1.082495 0.144 Uiso 1 1 calc R U . . .
H26R H 0.550436 0.379305 1.102863 0.144 Uiso 1 1 calc R U . . .
C264 C 1.0845(7) 0.3119(7) 0.3794(5) 0.075(3) Uani 1 1 d . U . . .
H26A H 1.096225 0.263729 0.404044 0.112 Uiso 1 1 calc R U . . .
H26B H 1.135103 0.321461 0.356335 0.112 Uiso 1 1 calc R U . . .
H26C H 1.040686 0.310397 0.358215 0.112 Uiso 1 1 calc R U . . .
C266 C 0.4544(6) 1.1170(6) 0.1032(4) 0.060(2) Uani 1 1 d . U . . .
C268 C 0.6739(6) 0.6759(6) -0.0044(4) 0.049(2) Uani 1 1 d . U . . .
H268 H 0.691172 0.629676 -0.015685 0.059 Uiso 1 1 calc R U . . .
C270 C 0.8674(6) 1.1378(6) -0.1113(4) 0.056(2) Uani 1 1 d . U . . .
H27A H 0.847017 1.097104 -0.120926 0.084 Uiso 1 1 calc R U . . .
H27B H 0.923149 1.119346 -0.099709 0.084 Uiso 1 1 calc R U . . .
H27C H 0.869995 1.179329 -0.141881 0.084 Uiso 1 1 calc R U . . .
C272 C 0.4656(5) 0.6911(4) 0.2311(3) 0.0331(15) Uani 1 1 d . U . . .
C274 C 0.6886(5) -0.2041(4) 0.6614(3) 0.0398(18) Uani 1 1 d . U . . .
C276 C 0.7538(7) 0.3917(6) 0.5292(4) 0.054(2) Uani 1 1 d . U . . .
C278 C 0.0640(7) -0.1086(6) 0.9755(4) 0.067(2) Uani 1 1 d . U . . .
H27G H 0.098816 -0.127343 1.005116 0.081 Uiso 1 1 calc R U . . .
H27H H 0.005188 -0.109456 0.989716 0.081 Uiso 1 1 calc R U . . .
C280 C 0.6225(4) 0.1821(4) 0.7298(3) 0.0288(15) Uani 1 1 d . U . . .
C282 C 0.7781(5) 0.5168(5) 0.4889(3) 0.0418(18) Uani 1 1 d . U . . .
H282 H 0.793861 0.561817 0.492439 0.050 Uiso 1 1 calc R U . . .
C284 C -0.1494(5) 0.7038(5) 0.9040(4) 0.0442(19) Uani 1 1 d . U . . .
H28I H -0.194748 0.745621 0.908395 0.066 Uiso 1 1 calc R U . . .
H28J H -0.095935 0.718973 0.904711 0.066 Uiso 1 1 calc R U . . .
H28K H -0.156354 0.660508 0.932599 0.066 Uiso 1 1 calc R U . . .
C286 C 0.1345(5) -0.0142(5) 0.6713(3) 0.0358(16) Uani 1 1 d . U . . .
H286 H 0.111165 0.035309 0.654982 0.043 Uiso 1 1 calc R U . . .
C288 C 0.6961(8) 0.3470(7) 0.6218(4) 0.072(3) Uani 1 1 d . U . . .
H28A H 0.639524 0.359860 0.611085 0.107 Uiso 1 1 calc R U . . .
H28B H 0.710517 0.390408 0.631635 0.107 Uiso 1 1 calc R U . . .
H28C H 0.698969 0.304589 0.651920 0.107 Uiso 1 1 calc R U . . .
C290 C 0.7570(5) 0.1444(5) 0.7633(4) 0.0412(18) Uani 1 1 d . U . . .
H290 H 0.793208 0.147506 0.787591 0.049 Uiso 1 1 calc R U . . .
C292 C 0.3190(5) -0.0003(4) 0.9327(3) 0.0307(15) Uani 1 1 d . U . . .
C294 C 0.6226(5) -0.1347(4) 0.6675(3) 0.0345(16) Uani 1 1 d . U . . .
C296 C 0.8463(8) 0.2226(7) 0.1650(6) 0.082(4) Uani 1 1 d . U . . .
H29A H 0.839511 0.215690 0.203288 0.123 Uiso 1 1 calc R U . . .
H29B H 0.895227 0.246311 0.150769 0.123 Uiso 1 1 calc R U . . .
H29C H 0.853906 0.173721 0.155153 0.123 Uiso 1 1 calc R U . . .
C298 C -0.0794(5) 0.5478(4) 0.8805(3) 0.0351(17) Uani 1 1 d . U . . .
H298 H -0.120124 0.543766 0.909997 0.042 Uiso 1 1 calc R U . . .
C300 C 0.7717(7) 0.3609(6) 0.2044(4) 0.058(2) Uani 1 1 d . U . . .
H300 H 0.795361 0.318100 0.228557 0.070 Uiso 1 1 calc R U . . .
C302 C 0.2898(5) -0.0489(5) 1.0248(4) 0.0435(19) Uani 1 1 d . U . . .
H302 H 0.263588 -0.041545 1.058265 0.052 Uiso 1 1 calc R U . . .
C304 C -0.3600(8) 0.4095(9) 0.8446(6) 0.094(5) Uani 1 1 d . U . . .
H30F H -0.359707 0.355229 0.853984 0.142 Uiso 1 1 calc R U . . .
H30G H -0.417425 0.436236 0.848351 0.142 Uiso 1 1 calc R U . . .
H30H H -0.326866 0.423373 0.867790 0.142 Uiso 1 1 calc R U . . .
C306 C 0.5464(6) 1.0063(5) 0.0452(3) 0.0497(18) Uani 1 1 d . U . . .
C308 C 0.3048(5) 0.0635(4) 0.8851(3) 0.0292(15) Uani 1 1 d . U . . .
C310 C 0.6262(5) 0.8067(5) 0.0315(3) 0.0382(16) Uani 1 1 d . U . . .
C312 C 0.3395(6) -0.1849(5) 1.0691(4) 0.046(2) Uani 1 1 d . U . . .
C39 C 0.0193(6) -0.2037(6) 0.6812(5) 0.058(2) Uani 1 1 d . U . . .
H39A H -0.007325 -0.158060 0.658576 0.087 Uiso 1 1 calc R U . . .
H39B H 0.005503 -0.199515 0.718032 0.087 Uiso 1 1 calc R U . . .
H39C H -0.000674 -0.247310 0.675659 0.087 Uiso 1 1 calc R U . . .
C157 C 0.5323(5) 0.7346(5) 0.2292(3) 0.0344(16) Uani 1 1 d . U . . .
C79 C 0.8400(6) 0.8113(6) 0.4718(3) 0.0453(19) Uani 1 1 d . U . . .
H79 H 0.800876 0.849458 0.453338 0.054 Uiso 1 1 calc R U . . .
C159 C 0.4551(6) 0.3211(5) 0.9328(4) 0.0425(18) Uani 1 1 d . U . . .
H159 H 0.490421 0.308804 0.903075 0.051 Uiso 1 1 calc R U . . .
C5 C 0.9218(5) 0.7056(5) 0.1082(3) 0.0378(17) Uani 1 1 d . U . . .
C161 C 0.4149(6) 0.8747(6) 0.4665(4) 0.052(2) Uani 1 1 d . U . . .
H161 H 0.358332 0.886833 0.459248 0.062 Uiso 1 1 calc R U . . .
C81 C -0.1430(6) 0.7531(5) 0.8084(4) 0.054(2) Uani 1 1 d . U . . .
H81A H -0.149557 0.742860 0.774433 0.081 Uiso 1 1 calc R U . . .
H81B H -0.087939 0.766393 0.807253 0.081 Uiso 1 1 calc R U . . .
H81C H -0.186146 0.794946 0.815984 0.081 Uiso 1 1 calc R U . . .
C163 C 0.8312(5) 0.9319(5) 0.3174(3) 0.0389(16) Uani 1 1 d . U . . .
C41 C 0.4084(5) 0.6064(5) 0.1946(4) 0.0388(17) Uani 1 1 d . U . . .
H41 H 0.413666 0.576615 0.169018 0.047 Uiso 1 1 calc R U . . .
C165 C 1.1494(5) 0.8057(5) 0.2405(4) 0.0412(18) Uani 1 1 d . U . . .
H165 H 1.151703 0.777180 0.214412 0.049 Uiso 1 1 calc R U . . .
C83 C 0.5147(5) 0.5031(5) 0.5620(4) 0.0502(18) Uani 1 1 d . U . . .
C167 C 0.8076(6) 1.1007(5) -0.0182(4) 0.0453(19) Uani 1 1 d . U . . .
C21 C 0.7568(5) 0.5121(5) 0.4412(3) 0.0369(16) Uani 1 1 d . U . . .
C169 C 0.7834(6) 0.9739(5) 0.0226(3) 0.0436(19) Uani 1 1 d . U . . .
H169 H 0.770037 0.927526 0.019851 0.052 Uiso 1 1 calc R U . . .
C85 C -0.3237(5) 0.4303(5) 0.7891(4) 0.047(2) Uani 1 1 d . U . . .
C171 C 1.0702(5) 0.4547(5) 0.3746(4) 0.059(2) Uani 1 1 d . U . . .
H171 H 1.064454 0.462850 0.336257 0.070 Uiso 1 1 calc R U . . .
C43 C 0.4780(13) 0.4881(8) 1.0222(6) 0.105(5) Uani 1 1 d . U . . .
H43A H 0.498457 0.512086 1.046297 0.157 Uiso 1 1 calc R U . . .
H43B H 0.424292 0.516975 1.011689 0.157 Uiso 1 1 calc R U . . .
H43C H 0.518183 0.486638 0.991055 0.157 Uiso 1 1 calc R U . . .
C173 C 0.0608(6) 0.0316(6) 0.9769(4) 0.054(2) Uani 1 1 d . U . . .
H173 H 0.041174 0.023483 1.013157 0.065 Uiso 1 1 calc R U . . .
C87 C 0.7694(8) 1.1397(6) 0.3066(5) 0.067(3) Uani 1 1 d . U . . .
H87 H 0.745426 1.181949 0.282131 0.080 Uiso 1 1 calc R U . . .
C175 C 0.3929(8) 1.2345(7) 0.3127(7) 0.086(3) Uani 1 1 d . U . . .
C11 C 0.0556(8) -0.1842(6) 0.8519(5) 0.083(3) Uani 1 1 d . U . . .
H11J H 0.015853 -0.218569 0.865813 0.124 Uiso 1 1 calc R U . . .
H11K H 0.112433 -0.212655 0.851835 0.124 Uiso 1 1 calc R U . . .
H11L H 0.044945 -0.158426 0.815915 0.124 Uiso 1 1 calc R U . . .
C177 C 1.0614(6) 0.4736(6) 0.1919(5) 0.057(2) Uani 1 1 d . U . . .
H177 H 1.075987 0.521082 0.175309 0.069 Uiso 1 1 calc R U . . .
C45 C 0.1727(8) -0.1407(6) 0.9045(6) 0.079(3) Uani 1 1 d . U . . .
H45A H 0.210072 -0.123510 0.923848 0.094 Uiso 1 1 calc R U . . .
H45B H 0.203099 -0.180821 0.886364 0.094 Uiso 1 1 calc R U . . .
C91 C 0.3645(5) -0.0694(5) 0.9273(4) 0.0384(18) Uani 1 1 d . U . . .
H91 H 0.389999 -0.076970 0.893744 0.046 Uiso 1 1 calc R U . . .
C183 C 0.6034(5) 0.9593(5) 0.2698(3) 0.0387(17) Uani 1 1 d . U . . .
C23 C 0.0456(7) -0.1265(6) 0.8861(4) 0.065(2) Uani 1 1 d . U . . .
C185 C 0.5583(5) 0.8209(5) 0.4424(3) 0.0376(17) Uani 1 1 d . U . . .
C93 C 1.0395(6) 0.5061(5) 0.4562(4) 0.056(2) Uani 1 1 d . U . . .
C187 C 0.3202(9) 1.2205(9) 0.3507(9) 0.128(6) Uani 1 1 d . U . . .
H18D H 0.337943 1.203535 0.386185 0.192 Uiso 1 1 calc R U . . .
H18E H 0.294922 1.181704 0.342252 0.192 Uiso 1 1 calc R U . . .
H18F H 0.279347 1.266958 0.349095 0.192 Uiso 1 1 calc R U . . .
C47 C 0.3938(7) 0.7773(5) 0.8154(5) 0.058(3) Uani 1 1 d . U . . .
H47A H 0.415687 0.816966 0.825302 0.087 Uiso 1 1 calc R U . . .
H47B H 0.333136 0.784798 0.823344 0.087 Uiso 1 1 calc R U . . .
H47C H 0.408076 0.778989 0.777748 0.087 Uiso 1 1 calc R U . . .
C95 C 1.1062(5) 0.6062(5) -0.0011(4) 0.0425(18) Uani 1 1 d . U . . .
C191 C 0.4322(6) 0.7006(5) 0.8464(4) 0.0454(19) Uani 1 1 d . U . . .
C3 C 0.0442(8) 0.2882(8) 1.0213(5) 0.073(3) Uani 1 1 d . U . . .
H3 H 0.036975 0.331077 1.036592 0.088 Uiso 1 1 calc R U . . .
C97 C 0.8622(6) 0.8226(6) 0.5185(4) 0.049(2) Uani 1 1 d . U . . .
H97 H 0.841745 0.867947 0.530544 0.058 Uiso 1 1 calc R U . . .
C195 C 0.2202(6) 0.1733(6) 0.5193(4) 0.0455(19) Uani 1 1 d . U . . .
H195 H 0.274788 0.185022 0.511184 0.055 Uiso 1 1 calc R U . . .
N11 N 0.4590(4) 0.3683(4) 0.6101(3) 0.0378(14) Uani 1 1 d . U . . .
C197 C 0.7855(6) 1.0333(5) -0.0220(4) 0.0459(19) Uani 1 1 d . U . . .
H197 H 0.771868 1.027368 -0.054551 0.055 Uiso 1 1 calc R U . . .
C99 C 0.5143(5) 0.4494(6) 0.5343(4) 0.050(2) Uani 1 1 d . U . . .
H99 H 0.533139 0.457583 0.497948 0.060 Uiso 1 1 calc R U . . .
C199 C 0.7680(8) 0.2734(7) 0.1423(5) 0.068(3) Uani 1 1 d . U . . .
C25 C 0.7382(13) 0.2539(8) 0.5639(5) 0.109(5) Uani 1 1 d . U . . .
H25A H 0.780821 0.237248 0.537122 0.163 Uiso 1 1 calc R U . . .
H25B H 0.683358 0.264578 0.550783 0.163 Uiso 1 1 calc R U . . .
H25C H 0.738515 0.214360 0.595806 0.163 Uiso 1 1 calc R U . . .
C201 C 0.7661(10) 1.2251(7) 0.3683(5) 0.086(3) Uani 1 1 d . U . . .
C101 C 0.1279(10) 0.0740(9) 0.4125(6) 0.088(4) Uani 1 1 d . U . . .
H10G H 0.177153 0.035939 0.421231 0.132 Uiso 1 1 calc R U . . .
H10H H 0.145357 0.121962 0.395362 0.132 Uiso 1 1 calc R U . . .
H10I H 0.097490 0.058044 0.388787 0.132 Uiso 1 1 calc R U . . .
C203 C 1.1734(10) 0.2166(9) 0.2416(9) 0.128(5) Uani 1 1 d . U . . .
H20C H 1.126637 0.205244 0.267872 0.192 Uiso 1 1 calc R U . . .
H20D H 1.207774 0.244124 0.255016 0.192 Uiso 1 1 calc R U . . .
H20E H 1.207109 0.169608 0.234372 0.192 Uiso 1 1 calc R U . . .
C103 C 0.4860(5) 0.3818(5) 0.5593(3) 0.0424(17) Uani 1 1 d . U . . .
C207 C 0.6747(5) 0.1849(5) 0.7660(4) 0.0366(17) Uani 1 1 d . U . . .
H207 H 0.655497 0.213699 0.792217 0.044 Uiso 1 1 calc R U . . .
C13 C 0.7569(8) 0.3257(6) 0.5767(4) 0.064(3) Uani 1 1 d . U . . .
C209 C 0.1649(9) 0.7540(5) 0.4563(4) 0.069(3) Uani 1 1 d . U . . .
H20I H 0.160917 0.794182 0.424824 0.103 Uiso 1 1 calc R U . . .
H20J H 0.188820 0.770204 0.483047 0.103 Uiso 1 1 calc R U . . .
H20K H 0.109173 0.742938 0.470049 0.103 Uiso 1 1 calc R U . . .
C211 C 0.2406(11) 0.5875(10) 0.1728(7) 0.106(5) Uani 1 1 d . U . . .
H21D H 0.286397 0.570841 0.147704 0.159 Uiso 1 1 calc R U . . .
H21E H 0.224389 0.642171 0.163278 0.159 Uiso 1 1 calc R U . . .
H21F H 0.192878 0.563613 0.171981 0.159 Uiso 1 1 calc R U . . .
C53 C 0.6926(8) 0.2343(7) 0.1670(5) 0.074(3) Uani 1 1 d . U . . .
H53A H 0.689741 0.225475 0.205341 0.111 Uiso 1 1 calc R U . . .
H53B H 0.699129 0.186269 0.156120 0.111 Uiso 1 1 calc R U . . .
H53C H 0.641224 0.266571 0.155132 0.111 Uiso 1 1 calc R U . . .
C213 C 0.4951(6) 0.5454(5) 0.6458(4) 0.0533(18) Uani 1 1 d . U . . .
H213 H 0.478936 0.533497 0.684467 0.064 Uiso 1 1 calc R U . . .
C107 C 0.9581(5) 0.6297(5) 0.4545(4) 0.0452(18) Uani 1 1 d . U . . .
C215 C 0.5271(6) 0.6923(6) 0.8338(5) 0.057(3) Uani 1 1 d . U . . .
H21J H 0.541860 0.689519 0.796744 0.086 Uiso 1 1 calc R U . . .
H21K H 0.553837 0.646247 0.855948 0.086 Uiso 1 1 calc R U . . .
H21L H 0.546148 0.735682 0.840468 0.086 Uiso 1 1 calc R U . . .
C27 C 1.1668(6) 0.5636(6) -0.0382(5) 0.056(2) Uani 1 1 d . U . . .
C217 C 0.7177(6) 0.4147(5) 0.1227(4) 0.049(2) Uani 1 1 d . U . . .
H217 H 0.703477 0.410636 0.089829 0.059 Uiso 1 1 calc R U . . .
C109 C 0.2250(6) 0.6155(5) 0.4893(3) 0.0399(18) Uani 1 1 d . U . . .
C219 C 0.4919(9) 0.2029(9) 0.4830(5) 0.080(3) Uani 1 1 d . U . . .
H219 H 0.494737 0.160866 0.467574 0.096 Uiso 1 1 calc R U . . .
C55 C 0.7529(6) 0.3514(6) 0.1556(4) 0.0511(19) Uani 1 1 d . U . . .
C221 C 0.4613(5) 0.4195(5) 0.6379(4) 0.0403(17) Uani 1 1 d . U . . .
H221 H 0.442776 0.409586 0.674270 0.048 Uiso 1 1 calc R U . . .
C223 C 0.5570(6) 0.9987(5) 0.0982(3) 0.0479(17) Uani 1 1 d . U . . .
C7 C 0.5583(5) -0.1352(5) 0.7087(3) 0.0375(17) Uani 1 1 d . U . . .
H7 H 0.552396 -0.180925 0.732789 0.045 Uiso 1 1 calc R U . . .
C225 C -0.0201(5) 0.4859(5) 0.8739(3) 0.0325(16) Uani 1 1 d . U . . .
H225 H -0.019529 0.440306 0.899375 0.039 Uiso 1 1 calc R U . . .
C113 C 0.3821(6) -0.1635(6) 1.1102(4) 0.057(2) Uani 1 1 d . U . . .
H11M H 0.351343 -0.116176 1.118705 0.086 Uiso 1 1 calc R U . . .
H11N H 0.439334 -0.157372 1.096239 0.086 Uiso 1 1 calc R U . . .
H11O H 0.382979 -0.203168 1.142032 0.086 Uiso 1 1 calc R U . . .
C227 C 0.4312(6) 1.0907(6) 0.3282(5) 0.063(2) Uani 1 1 d . U . . .
H227 H 0.382558 1.087437 0.352247 0.075 Uiso 1 1 calc R U . . .
C57 C 0.5794(5) 0.8358(5) 0.4883(4) 0.0431(19) Uani 1 1 d . U . . .
H57 H 0.635309 0.821815 0.496735 0.052 Uiso 1 1 calc R U . . .
C229 C 0.5051(6) 1.1418(5) 0.0482(4) 0.059(2) Uani 1 1 d . U . . .
H229 H 0.488040 1.195124 0.029914 0.071 Uiso 1 1 calc R U . . .
C115 C 0.5043(5) -0.0712(4) 0.7147(3) 0.0361(17) Uani 1 1 d . U . . .
H115 H 0.462780 -0.072702 0.743792 0.043 Uiso 1 1 calc R U . . .
C231 C 0.6008(6) 0.8025(5) -0.0162(3) 0.0446(19) Uani 1 1 d . U . . .
H231 H 0.567908 0.844510 -0.036137 0.054 Uiso 1 1 calc R U . . .
C29 C 1.0824(9) 0.2225(9) 0.1713(7) 0.099(4) Uani 1 1 d . U . . .
H29D H 1.116030 0.177437 0.160894 0.148 Uiso 1 1 calc R U . . .
H29E H 1.054609 0.254179 0.141305 0.148 Uiso 1 1 calc R U . . .
H29F H 1.040444 0.207790 0.200183 0.148 Uiso 1 1 calc R U . . .
C235 C 1.2137(6) 0.8456(5) 0.2397(4) 0.0453(19) Uani 1 1 d . U . . .
H235 H 1.259438 0.843309 0.213377 0.054 Uiso 1 1 calc R U . . .
C15 C 1.2827(7) 0.9325(6) 0.2772(5) 0.057(2) Uani 1 1 d . U . . .
C241 C 0.7860(5) 0.1010(5) 0.7270(4) 0.0404(18) Uani 1 1 d . U . . .
C121 C 0.7746(5) -0.1849(5) 0.6636(4) 0.047(2) Uani 1 1 d . U . . .
H12L H 0.817636 -0.228898 0.660800 0.071 Uiso 1 1 calc R U . . .
H12M H 0.775739 -0.170285 0.697021 0.071 Uiso 1 1 calc R U . . .
H12N H 0.785200 -0.143186 0.634508 0.071 Uiso 1 1 calc R U . . .
C243 C 1.0216(5) 0.6266(5) -0.0109(4) 0.0422(18) Uani 1 1 d . U . . .
H243 H 1.004380 0.617005 -0.041326 0.051 Uiso 1 1 calc R U . . .
C61 C 1.3137(12) 0.9093(10) 0.3333(7) 0.115(5) Uani 1 1 d . U . . .
H61A H 1.341050 0.948598 0.339078 0.173 Uiso 1 1 calc R U . . .
H61B H 1.353300 0.861956 0.336047 0.173 Uiso 1 1 calc R U . . .
H61C H 1.266023 0.902707 0.359780 0.173 Uiso 1 1 calc R U . . .
C245 C 0.0651(6) 0.1656(6) 0.9769(4) 0.0485(19) Uani 1 1 d . U . . .
C123 C 0.4896(5) 0.4870(5) 0.6159(3) 0.0455(17) Uani 1 1 d . U . . .
C247 C 0.0156(9) 0.2230(9) 1.0492(5) 0.089(3) Uani 1 1 d . U . . .
H247 H -0.013161 0.221835 1.083208 0.107 Uiso 1 1 calc R U . . .
C31 C 0.8425(11) 1.2654(8) 0.3452(7) 0.108(4) Uani 1 1 d . U . . .
H31A H 0.892048 1.237041 0.361772 0.161 Uiso 1 1 calc R U . . .
H31B H 0.830926 1.316326 0.352050 0.161 Uiso 1 1 calc R U . . .
H31C H 0.852184 1.268049 0.307211 0.161 Uiso 1 1 calc R U . . .
C249 C 0.5182(10) 0.2708(9) 0.4546(5) 0.095(3) Uani 1 1 d . U . . .
H249 H 0.539242 0.274493 0.418689 0.114 Uiso 1 1 calc R U . . .
C125 C -0.1769(5) 0.3937(5) 0.8156(3) 0.0361(17) Uani 1 1 d . U . . .
H125 H -0.192826 0.427120 0.839148 0.043 Uiso 1 1 calc R U . . .
C251 C 0.3826(7) 1.0774(6) 0.1038(5) 0.075(3) Uani 1 1 d . U . . .
H25D H 0.338368 1.112478 0.085277 0.112 Uiso 1 1 calc R U . . .
H25E H 0.361058 1.059134 0.140229 0.112 Uiso 1 1 calc R U . . .
H25F H 0.401633 1.034830 0.086404 0.112 Uiso 1 1 calc R U . . .
C63 C 0.2832(5) 0.0107(5) 0.9823(3) 0.0375(17) Uani 1 1 d . U . . .
H63 H 0.254496 0.058899 0.986762 0.045 Uiso 1 1 calc R U . . .
C253 C 0.3783(7) 0.6367(7) 0.5868(6) 0.079(3) Uani 1 1 d . U . . .
H25M H 0.387373 0.601539 0.563016 0.119 Uiso 1 1 calc R U . . .
H25N H 0.365842 0.688231 0.566635 0.119 Uiso 1 1 calc R U . . .
H25O H 0.331337 0.626160 0.613089 0.119 Uiso 1 1 calc R U . . .
C127 C 0.0609(11) 0.0062(8) 0.4934(6) 0.094(4) Uani 1 1 d . U . . .
H12O H 0.020104 0.010564 0.523956 0.141 Uiso 1 1 calc R U . . .
H12P H 0.114443 -0.021218 0.505127 0.141 Uiso 1 1 calc R U . . .
H12Q H 0.041239 -0.020956 0.470990 0.141 Uiso 1 1 calc R U . . .
C255 C 0.3091(8) 0.6980(7) 0.4231(5) 0.075(3) Uani 1 1 d . U . . .
H25P H 0.344267 0.652238 0.414869 0.112 Uiso 1 1 calc R U . . .
H25Q H 0.332015 0.713412 0.450629 0.112 Uiso 1 1 calc R U . . .
H25R H 0.307663 0.738164 0.391582 0.112 Uiso 1 1 calc R U . . .
C2 C 0.1985(6) -0.1566(5) 0.7198(4) 0.0443(19) Uani 1 1 d . U . . .
H2 H 0.220861 -0.205854 0.737106 0.053 Uiso 1 1 calc R U . . .
C257 C 0.8384(10) 1.2314(7) -0.0562(5) 0.080(3) Uani 1 1 d . U . . .
H25G H 0.841620 1.269776 -0.088567 0.119 Uiso 1 1 calc R U . . .
H25H H 0.893742 1.214864 -0.043664 0.119 Uiso 1 1 calc R U . . .
H25I H 0.799665 1.252658 -0.029340 0.119 Uiso 1 1 calc R U . . .
C129 C 0.5139(6) 1.0848(5) 0.0153(4) 0.058(2) Uani 1 1 d . U . . .
H12J H 0.552686 1.097998 -0.016358 0.070 Uiso 1 1 calc R U . . .
H12K H 0.459092 1.085388 0.003719 0.070 Uiso 1 1 calc R U . . .
C259 C 0.9149(7) 0.0812(9) 0.6631(5) 0.100(5) Uani 1 1 d . U . . .
H25S H 0.919563 0.134535 0.655675 0.150 Uiso 1 1 calc R U . . .
H25T H 0.878984 0.072914 0.639029 0.150 Uiso 1 1 calc R U . . .
H25U H 0.970287 0.051066 0.658262 0.150 Uiso 1 1 calc R U . . .
C65 C 0.4032(10) 0.4201(10) 1.1001(6) 0.099(4) Uani 1 1 d . U . . .
H65A H 0.400912 0.370372 1.122548 0.148 Uiso 1 1 calc R U . . .
H65B H 0.347641 0.443004 1.089348 0.148 Uiso 1 1 calc R U . . .
H65C H 0.421798 0.451958 1.119481 0.148 Uiso 1 1 calc R U . . .
C261 C 0.7419(15) 1.2158(10) 0.4274(6) 0.147(7) Uani 1 1 d . U . . .
H26D H 0.709109 1.175207 0.439397 0.221 Uiso 1 1 calc R U . . .
H26E H 0.708590 1.262706 0.434972 0.221 Uiso 1 1 calc DR U . . .
H26F H 0.792296 1.203351 0.445625 0.221 Uiso 1 1 calc R U . . .
C131 C 0.7298(7) 0.4470(6) 0.4388(4) 0.050(2) Uani 1 1 d . U . . .
H131 H 0.711841 0.442524 0.407023 0.060 Uiso 1 1 calc R U . . .
C263 C 0.4345(7) 0.3744(6) 1.0123(5) 0.058(2) Uani 1 1 d . U . . .
C33 C 0.6249(6) 0.7358(6) -0.0337(4) 0.053(2) Uani 1 1 d . U . . .
H33 H 0.607743 0.731228 -0.065631 0.063 Uiso 1 1 calc R U . . .
C265 C 0.4432(10) 1.2801(8) 0.3342(7) 0.096(4) Uani 1 1 d . U . . .
H26G H 0.406815 1.325527 0.342208 0.145 Uiso 1 1 calc R U . . .
H26H H 0.488869 1.294253 0.307938 0.145 Uiso 1 1 calc R U . . .
H26I H 0.466052 1.249658 0.366301 0.145 Uiso 1 1 calc R U . . .
C133 C 1.2567(6) 0.5510(7) -0.0245(5) 0.066(3) Uani 1 1 d . U . . .
H13A H 1.261145 0.518691 0.010462 0.100 Uiso 1 1 calc R U . . .
H13B H 1.272118 0.599424 -0.024754 0.100 Uiso 1 1 calc R U . . .
H13C H 1.294164 0.526816 -0.050449 0.100 Uiso 1 1 calc R U . . .
C267 C 0.5664(5) 0.9439(5) 0.0235(3) 0.0440(18) Uani 1 1 d . U . . .
H267 H 0.557469 0.947641 -0.012010 0.053 Uiso 1 1 calc R U . . .
C67 C 1.3555(7) 0.9184(7) 0.2389(6) 0.082(4) Uani 1 1 d . U . . .
H67A H 1.339936 0.939947 0.203291 0.123 Uiso 1 1 calc R U . . .
H67B H 1.374471 0.864167 0.242712 0.123 Uiso 1 1 calc R U . . .
H67C H 1.400468 0.941759 0.245354 0.123 Uiso 1 1 calc R U . . .
N3 N 0.9432(4) 0.6377(5) 0.4039(3) 0.0429(15) Uani 1 1 d . U . . .
C269 C 0.6858(10) 1.2735(8) 0.3429(6) 0.092(4) Uani 1 1 d . U . . .
H26J H 0.698903 1.288523 0.304896 0.139 Uiso 1 1 calc R U . . .
H26K H 0.667660 1.318384 0.357980 0.139 Uiso 1 1 calc R U . . .
H26L H 0.641148 1.243486 0.350212 0.139 Uiso 1 1 calc R U . . .
C135 C 0.7737(11) 0.2766(8) 0.0837(5) 0.103(5) Uani 1 1 d . U . . .
H13D H 0.790520 0.225692 0.076944 0.154 Uiso 1 1 calc R U . . .
H13E H 0.815083 0.307540 0.065321 0.154 Uiso 1 1 calc R U . . .
H13F H 0.719329 0.298630 0.070884 0.154 Uiso 1 1 calc R U . . .
C271 C 0.9781(5) 0.5827(5) 0.3798(4) 0.0436(18) Uani 1 1 d . U . . .
H271 H 0.967800 0.588551 0.344281 0.052 Uiso 1 1 calc R U . . .
C17 C 0.5401(6) 1.0665(5) 0.1197(4) 0.057(2) Uani 1 1 d . U . . .
H17 H 0.550701 1.059889 0.157168 0.069 Uiso 1 1 calc R U . . .
C273 C 0.1874(7) 0.1416(6) 0.4849(4) 0.056(2) Uani 1 1 d . U . . .
H273 H 0.218891 0.133052 0.453017 0.068 Uiso 1 1 calc R U . . .
C137 C 0.7024(6) 0.4849(5) 0.1361(4) 0.0454(19) Uani 1 1 d . U . . .
H137 H 0.677669 0.527502 0.112222 0.054 Uiso 1 1 calc R U . . .
C275 C 0.4106(8) 0.6981(6) 0.9048(4) 0.063(3) Uani 1 1 d . U . . .
H27I H 0.431834 0.738380 0.914408 0.094 Uiso 1 1 calc R U . . .
H27J H 0.436078 0.649427 0.924663 0.094 Uiso 1 1 calc R U . . .
H27K H 0.350011 0.704764 0.913072 0.094 Uiso 1 1 calc R U . . .
C277 C 1.1235(5) 0.3832(5) 0.4427(4) 0.059(2) Uani 1 1 d . U . . .
H277 H 1.160410 0.335113 0.456692 0.071 Uiso 1 1 calc R U . . .
C139 C 0.5509(6) 1.0292(5) 0.2822(4) 0.0443(18) Uani 1 1 d . U . . .
C279 C 0.4278(8) 1.1789(6) 0.1343(5) 0.074(3) Uani 1 1 d . U . . .
H27D H 0.475627 1.202624 0.135041 0.112 Uiso 1 1 calc R U . . .
H27E H 0.407009 1.157375 0.170211 0.112 Uiso 1 1 calc R U . . .
H27F H 0.383618 1.216584 0.117566 0.112 Uiso 1 1 calc R U . . .
C281 C 0.0714(8) 0.0832(7) 0.4628(5) 0.073(3) Uani 1 1 d . U . . .
C141 C 0.5138(9) 0.3312(9) 0.4776(5) 0.084(3) Uani 1 1 d . U . . .
H141 H 0.528996 0.377077 0.457886 0.101 Uiso 1 1 calc R U . . .
C283 C 1.1651(8) 0.6090(7) -0.0949(5) 0.077(3) Uani 1 1 d . U . . .
H28D H 1.209818 0.585247 -0.117557 0.115 Uiso 1 1 calc R U . . .
H28E H 1.173031 0.660329 -0.096063 0.115 Uiso 1 1 calc R U . . .
H28F H 1.111237 0.610469 -0.107284 0.115 Uiso 1 1 calc R U . . .
C71 C 0.4000(7) 1.0161(6) 0.5391(6) 0.069(3) Uani 1 1 d . U . . .
H71A H 0.398551 1.042791 0.502400 0.104 Uiso 1 1 calc R U . . .
H71B H 0.456369 1.009711 0.549317 0.104 Uiso 1 1 calc R U . . .
H71C H 0.360744 1.045140 0.561602 0.104 Uiso 1 1 calc R U . . .
C285 C 0.1168(6) -0.0760(5) 0.8694(5) 0.066(2) Uani 1 1 d . U . . .
H285 H 0.136455 -0.064394 0.831160 0.079 Uiso 1 1 calc R U . . .
C143 C 0.3690(9) 1.2798(8) 0.2557(7) 0.102(4) Uani 1 1 d . U . . .
H14A H 0.343635 1.248433 0.239373 0.153 Uiso 1 1 calc R U . . .
H14B H 0.419322 1.293061 0.233792 0.153 Uiso 1 1 calc R U . . .
H14C H 0.329297 1.325772 0.259126 0.153 Uiso 1 1 calc R U . . .
C287 C 1.0553(6) 0.3752(6) 0.4102(4) 0.064(2) Uani 1 1 d . U . . .
C9 C 0.4581(6) 0.6272(6) 0.6148(5) 0.065(2) Uani 1 1 d . U . . .
C289 C 0.5829(7) 1.1267(6) 0.0790(5) 0.064(2) Uani 1 1 d . U . . .
H28G H 0.590148 1.169726 0.093144 0.077 Uiso 1 1 calc R U . . .
H28H H 0.635217 1.105738 0.059879 0.077 Uiso 1 1 calc R U . . .
C145 C 1.1387(8) 0.2663(8) 0.1892(8) 0.099(4) Uani 1 1 d . U . . .
C291 C 0.3393(5) 0.2748(4) 0.9047(3) 0.0304(15) Uani 1 1 d . U . . .
C73 C 0.5433(6) 0.5768(5) 0.5375(4) 0.062(2) Uani 1 1 d . U . . .
H73A H 0.600310 0.567263 0.519667 0.074 Uiso 1 1 calc R U . . .
H73B H 0.505970 0.606124 0.510884 0.074 Uiso 1 1 calc R U . . .
C293 C 0.0747(6) -0.0284(5) 0.9501(4) 0.0539(19) Uani 1 1 d . U . . .
C147 C 0.2201(6) -0.0965(5) 0.7335(4) 0.0414(18) Uani 1 1 d . U . . .
H147 H 0.258164 -0.104675 0.759034 0.050 Uiso 1 1 calc R U . . .
C295 C 0.8767(7) -0.0250(6) 0.7337(5) 0.066(3) Uani 1 1 d . U . . .
H29G H 0.934169 -0.051428 0.729636 0.098 Uiso 1 1 calc R U . . .
H29H H 0.843961 -0.037413 0.709506 0.098 Uiso 1 1 calc R U . . .
H29I H 0.852403 -0.040430 0.769851 0.098 Uiso 1 1 calc R U . . .
C37 C 0.4616(6) 0.2029(6) 0.5353(4) 0.051(2) Uani 1 1 d . U . . .
H37 H 0.442494 0.158969 0.555620 0.062 Uiso 1 1 calc R U . . .
C297 C 0.4844(7) 0.3553(6) 0.9676(4) 0.053(2) Uani 1 1 d . U . . .
H297 H 0.539580 0.365726 0.960743 0.063 Uiso 1 1 calc R U . . .
C149 C 0.9739(7) 0.4015(6) 0.2517(5) 0.059(2) Uani 1 1 d . U . . .
H149 H 0.926207 0.398835 0.276632 0.071 Uiso 1 1 calc R U . . .
C299 C 0.7569(7) 0.4295(6) 0.2179(4) 0.052(2) Uani 1 1 d . U . . .
H299 H 0.770153 0.433814 0.250955 0.062 Uiso 1 1 calc R U . . .
C75 C 0.4485(8) 0.6854(6) 0.6480(6) 0.083(3) Uani 1 1 d . U . . .
H75A H 0.395054 0.686174 0.669813 0.125 Uiso 1 1 calc R U . . .
H75B H 0.450216 0.734912 0.625117 0.125 Uiso 1 1 calc R U . . .
H75C H 0.493961 0.672773 0.670529 0.125 Uiso 1 1 calc R U . . .
C301 C 0.5428(6) 0.6211(5) 0.5787(4) 0.062(2) Uani 1 1 d . U . . .
H301 H 0.564954 0.669172 0.565857 0.075 Uiso 1 1 calc R U . . .
C151 C 1.0204(7) 0.3360(7) 0.2396(5) 0.066(3) Uani 1 1 d . U . . .
H151 H 1.005166 0.288911 0.256432 0.079 Uiso 1 1 calc R U . . .
C303 C 0.7286(7) 0.3882(6) 0.4821(4) 0.057(2) Uani 1 1 d . U . . .
H303 H 0.709936 0.344182 0.479290 0.069 Uiso 1 1 calc R U . . .
C19 C -0.3812(6) 0.4097(7) 0.7557(6) 0.071(3) Uani 1 1 d . U . . .
H19A H -0.357547 0.417773 0.718963 0.107 Uiso 1 1 calc R U . . .
H19B H -0.436127 0.441413 0.758662 0.107 Uiso 1 1 calc R U . . .
H19C H -0.386869 0.356840 0.768260 0.107 Uiso 1 1 calc R U . . .
C305 C 0.5817(7) 0.5684(6) 0.6276(5) 0.059(2) Uani 1 1 d . U . . .
H30I H 0.625768 0.527023 0.619175 0.071 Uiso 1 1 calc R U . . .
H30J H 0.600071 0.595240 0.651224 0.071 Uiso 1 1 calc R U . . .
C153 C 0.8452(9) 0.3049(8) 0.5946(5) 0.091(4) Uani 1 1 d . U . . .
H15A H 0.845264 0.267334 0.627470 0.136 Uiso 1 1 calc R U . . .
H15B H 0.862485 0.349955 0.600029 0.136 Uiso 1 1 calc R U . . .
H15C H 0.884112 0.284347 0.567536 0.136 Uiso 1 1 calc R U . . .
C307 C 0.2979(9) 0.4845(7) 0.2442(8) 0.104(5) Uani 1 1 d . U . . .
H30A H 0.346319 0.469760 0.220202 0.156 Uiso 1 1 calc R U . . .
H30B H 0.252989 0.458085 0.241907 0.156 Uiso 1 1 calc R U . . .
H30C H 0.313383 0.471447 0.280213 0.156 Uiso 1 1 calc R U . . .
C77 C 1.0889(6) 0.3393(7) 0.2031(6) 0.073(3) Uani 1 1 d . U . . .
C309 C 1.0900(6) 0.4318(6) 0.4817(4) 0.064(2) Uani 1 1 d . U . . .
H30D H 1.136885 0.441893 0.497338 0.077 Uiso 1 1 calc R U . . .
H30E H 1.054317 0.404922 0.510359 0.077 Uiso 1 1 calc R U . . .
C155 C 0.0880(6) -0.1588(6) 0.9377(5) 0.071(2) Uani 1 1 d . U . . .
H155 H 0.086801 -0.213173 0.952861 0.086 Uiso 1 1 calc R U . . .
C311 C 1.2094(11) 0.2818(10) 0.1459(11) 0.169(8) Uani 1 1 d . U . . .
H31D H 1.243706 0.312595 0.156174 0.253 Uiso 1 1 calc R U . . .
H31E H 1.185889 0.308686 0.113165 0.253 Uiso 1 1 calc R U . . .
H31F H 1.243813 0.234164 0.140585 0.253 Uiso 1 1 calc R U . . .
C313 C -0.0110(8) 0.1293(8) 0.4468(6) 0.083(3) Uani 1 1 d . U . . .
H31G H -0.002362 0.179178 0.426996 0.124 Uiso 1 1 calc R U . . .
H31H H -0.034546 0.104114 0.424901 0.124 Uiso 1 1 calc R U . . .
H31I H -0.049526 0.134402 0.478320 0.124 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Ti6 3.7869(16) . ?
Eu1 Ti8 3.7461(17) . ?
Eu1 Ti2 3.8175(16) . ?
Eu1 Ti7 3.7741(17) . ?
Eu1 O1 2.386(6) . ?
Eu1 O18 2.432(6) . ?
Eu1 N1 2.598(7) . ?
Eu1 O36 2.329(5) . ?
Eu1 O37 2.372(5) . ?
Eu1 O21 2.375(6) . ?
Eu1 O11 2.415(6) . ?
Eu1 N14 2.581(7) . ?
Eu4 Ti1 3.7326(15) . ?
Eu4 Ti4 3.7401(15) . ?
Eu4 Ti5 3.7771(14) . ?
Eu4 Ti3 3.7893(15) . ?
Eu4 O16 2.382(5) . ?
Eu4 O32 2.329(5) . ?
Eu4 O25 2.462(5) . ?
Eu4 O33 2.337(5) . ?
Eu4 O5 2.423(6) . ?
Eu4 N15 2.533(7) . ?
Eu4 O23 2.373(5) . ?
Eu4 N11 2.645(7) . ?
Eu2 Ti1 3.7684(15) . ?
Eu2 Ti4 3.7680(14) . ?
Eu2 Ti5 3.7442(15) . ?
Eu2 Ti3 3.7258(15) . ?
Eu2 O14 2.365(5) . ?
Eu2 O20 2.419(6) . ?
Eu2 O34 2.452(5) . ?
Eu2 N4 2.627(7) . ?
Eu2 O46 2.340(5) . ?
Eu2 O49 2.328(5) . ?
Eu2 O39 2.378(5) . ?
Eu2 N8 2.561(7) . ?
Eu3 Ti6 3.7627(18) . ?
Eu3 Ti8 3.8214(17) . ?
Eu3 Ti2 3.7650(16) . ?
Eu3 Ti7 3.7757(16) . ?
Eu3 O26 2.405(5) . ?
Eu3 O38 2.358(6) . ?
Eu3 O48 2.365(5) . ?
Eu3 N10 2.558(8) . ?
Eu3 O86 2.335(6) . ?
Eu3 O43 2.404(6) . ?
Eu3 O3 2.400(6) . ?
Eu3 N3 2.609(7) . ?
Ti1 Ti4 2.8539(19) . ?
Ti1 O4 2.031(6) . ?
Ti1 O12 2.091(5) . ?
Ti1 O32 1.879(5) . ?
Ti1 O7 1.831(5) . ?
Ti1 O39 1.891(5) . ?
Ti1 O56 2.078(5) . ?
Ti4 O22 1.814(6) . ?
Ti4 O24 2.047(5) . ?
Ti4 O32 1.895(5) . ?
Ti4 O40 2.018(5) . ?
Ti4 O39 1.912(5) . ?
Ti4 O126 2.102(6) . ?
Ti6 Ti8 2.854(2) . ?
Ti6 O15 2.029(6) . ?
Ti6 O31 2.047(6) . ?
Ti6 O35 1.800(6) . ?
Ti6 O37 1.899(6) . ?
Ti6 O19 2.120(6) . ?
Ti6 O3 1.889(6) . ?
Ti8 O8 2.072(6) . ?
Ti8 O44 2.037(6) . ?
Ti8 O13 1.833(6) . ?
Ti8 O37 1.856(6) . ?
Ti8 O41 2.086(6) . ?
Ti8 O3 1.902(5) . ?
Ti2 Ti7 2.854(2) . ?
Ti2 O1 1.912(6) . ?
Ti2 O30 2.087(6) . ?
Ti2 O48 1.887(6) . ?
Ti2 O2 2.056(6) . ?
Ti2 O35 1.825(6) . ?
Ti2 O47 2.079(6) . ?
Ti5 Ti3 2.8623(19) . ?
Ti5 O6 2.121(6) . ?
Ti5 O16 1.918(5) . ?
Ti5 O28 2.026(5) . ?
Ti5 O46 1.894(5) . ?
Ti5 O7 1.802(5) . ?
Ti5 O9 2.039(5) . ?
Ti3 O10 2.082(5) . ?
Ti3 O16 1.908(5) . ?
Ti3 O22 1.827(5) . ?
Ti3 O46 1.872(5) . ?
Ti3 O17 2.082(6) . ?
Ti3 O45 2.044(5) . ?
Ti7 O1 1.918(6) . ?
Ti7 O42 2.109(6) . ?
Ti7 O48 1.893(5) . ?
Ti7 O13 1.799(6) . ?
Ti7 O27 2.021(6) . ?
Ti7 O29 2.039(6) . ?
O4 C1 1.293(9) . ?
O6 C118 1.281(10) . ?
O8 C44 1.264(11) . ?
O10 C154 1.264(9) . ?
O12 C108 1.283(9) . ?
O14 C308 1.246(9) . ?
O18 C116 1.242(10) . ?
O20 C291 1.253(9) . ?
N1 C66 1.353(11) . ?
N1 C146 1.351(11) . ?
O24 C308 1.263(9) . ?
O26 C40 1.257(10) . ?
O28 C136 1.280(9) . ?
O30 C183 1.262(10) . ?
C1 O5 1.253(10) . ?
C1 C172 1.503(12) . ?
O34 C136 1.255(10) . ?
O36 C157 1.262(10) . ?
O38 C182 1.232(11) . ?
O40 C92 1.279(9) . ?
O42 C183 1.265(10) . ?
O44 C5 1.282(11) . ?
N4 C96 1.348(11) . ?
N4 C176 1.338(12) . ?
O49 C184 1.264(10) . ?
O25 C92 1.251(9) . ?
O27 C163 1.275(10) . ?
C4 C36 1.484(13) . ?
C4 C177 1.349(14) . ?
C4 C149 1.376(15) . ?
O29 C192 1.283(11) . ?
O15 C116 1.291(11) . ?
C6 H6 0.9500 . ?
C6 C34 1.404(13) . ?
C6 C98 1.400(12) . ?
O31 C182 1.292(11) . ?
O2 C40 1.280(10) . ?
O33 C154 1.247(10) . ?
O17 C118 1.282(9) . ?
C8 H8 0.9500 . ?
C8 C38 1.400(11) . ?
C8 C124 1.386(11) . ?
O9 C74 1.287(9) . ?
O19 C36 1.268(11) . ?
C10 H10 0.9500 . ?
C10 C64 1.365(12) . ?
C10 C243 1.400(11) . ?
C12 H12 0.9500 . ?
C12 C60 1.391(15) . ?
C12 C82 1.363(15) . ?
C14 H14 0.9500 . ?
C14 N8 1.347(13) . ?
C14 C3 1.367(14) . ?
C16 H16 0.9500 . ?
C16 C152 1.388(11) . ?
C16 C168 1.379(10) . ?
C18 H18 0.9500 . ?
C18 C106 1.390(11) . ?
C18 C241 1.405(14) . ?
C20 C248 1.378(12) . ?
C20 C302 1.410(12) . ?
C20 C312 1.549(12) . ?
C22 H22 0.9500 . ?
C22 C148 1.390(13) . ?
C22 C244 1.338(14) . ?
C24 C220 1.407(13) . ?
C24 C85 1.540(11) . ?
C24 C125 1.378(13) . ?
C26 N15 1.378(13) . ?
C26 C103 1.463(14) . ?
C26 C141 1.389(14) . ?
C28 H28 0.9500 . ?
C28 C68 1.399(13) . ?
C28 C57 1.359(12) . ?
C30 H30 0.9500 . ?
C30 C70 1.384(12) . ?
C30 C164 1.388(13) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 C85 1.509(15) . ?
C34 H34 0.9500 . ?
C34 C166 1.379(13) . ?
C36 O41 1.274(11) . ?
C38 C54 1.396(11) . ?
C38 C74 1.467(11) . ?
C40 C185 1.478(11) . ?
C42 H42 0.9500 . ?
C42 C90 1.387(13) . ?
C42 C167 1.392(14) . ?
C44 C48 1.495(12) . ?
C44 O86 1.250(10) . ?
C46 C72 1.382(12) . ?
C46 C184 1.491(10) . ?
C46 C228 1.389(11) . ?
C48 C144 1.408(13) . ?
C48 C165 1.377(12) . ?
C50 H50 0.9500 . ?
C50 C104 1.377(15) . ?
C50 C139 1.403(13) . ?
C52 H52 0.9500 . ?
C52 C58 1.403(11) . ?
C52 C178 1.384(11) . ?
C54 H54 0.9500 . ?
C54 C200 1.388(11) . ?
O56 C184 1.275(9) . ?
N8 C245 1.359(12) . ?
C58 H58 0.9500 . ?
C58 C156 1.377(11) . ?
C60 C273 1.393(16) . ?
C60 C281 1.552(16) . ?
C62 H62 0.9500 . ?
C62 C78 1.351(14) . ?
C62 C263 1.392(16) . ?
N10 C180 1.378(11) . ?
N10 C79 1.333(12) . ?
C64 C250 1.378(12) . ?
C64 C5 1.508(11) . ?
C66 C310 1.472(13) . ?
C66 C267 1.391(11) . ?
C68 C216 1.508(13) . ?
C68 C161 1.399(15) . ?
C70 H70 0.9500 . ?
C70 C272 1.398(11) . ?
C72 H72 0.9500 . ?
C72 C220 1.389(11) . ?
C74 O23 1.255(9) . ?
C76 H76 0.9500 . ?
C76 C148 1.383(13) . ?
C76 C87 1.374(15) . ?
C78 H78 0.9500 . ?
C78 C138 1.414(12) . ?
O21 C192 1.245(10) . ?
C80 H80 0.9500 . ?
C80 C98 1.388(12) . ?
C80 C140 1.373(12) . ?
C82 H82 0.9500 . ?
C82 C172 1.399(13) . ?
C84 H84 0.9500 . ?
C84 C132 1.352(15) . ?
C84 C97 1.379(14) . ?
C88 C164 1.525(12) . ?
C88 C236 1.508(16) . ?
C88 C211 1.580(18) . ?
C88 C307 1.445(16) . ?
C90 H90 0.9500 . ?
C90 C142 1.364(13) . ?
C92 C152 1.511(10) . ?
O43 C163 1.269(10) . ?
C94 C104 1.404(17) . ?
C94 C175 1.546(16) . ?
C94 C227 1.369(16) . ?
O11 C5 1.251(10) . ?
N14 C212 1.327(11) . ?
N14 C310 1.345(11) . ?
C96 C173 1.392(13) . ?
C96 C245 1.466(14) . ?
O45 C291 1.274(9) . ?
N15 C37 1.295(13) . ?
C98 C118 1.453(12) . ?
C100 H10D 0.9800 . ?
C100 H10E 0.9800 . ?
C100 H10F 0.9800 . ?
C100 C174 1.539(15) . ?
C102 H10A 0.9800 . ?
C102 H10B 0.9800 . ?
C102 H10C 0.9800 . ?
C102 C287 1.535(15) . ?
C104 H104 0.9500 . ?
C106 H106 0.9500 . ?
C106 C280 1.379(11) . ?
C108 O126 1.237(10) . ?
C108 C170 1.501(11) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C110 C198 1.534(13) . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 C226 1.517(17) . ?
C114 H11G 0.9800 . ?
C114 H11H 0.9800 . ?
C114 H11I 0.9800 . ?
C114 C23 1.523(15) . ?
C116 C234 1.457(13) . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C120 C27 1.513(16) . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
C122 C15 1.509(15) . ?
C124 H124 0.9500 . ?
C124 C109 1.375(12) . ?
C128 H12G 0.9800 . ?
C128 H12H 0.9800 . ?
C128 H12I 0.9800 . ?
C128 C204 1.538(15) . ?
C130 H130 0.9500 . ?
C130 C144 1.378(13) . ?
C130 C208 1.393(14) . ?
C132 H132 0.9500 . ?
C132 C180 1.383(13) . ?
C136 C156 1.485(10) . ?
C138 C159 1.385(13) . ?
C138 C291 1.470(12) . ?
C140 H140 0.9500 . ?
C140 C166 1.404(11) . ?
C142 C192 1.499(11) . ?
C142 C169 1.392(13) . ?
C144 H144 0.9500 . ?
C146 H146 0.9500 . ?
C146 C223 1.398(12) . ?
C148 C163 1.487(12) . ?
C150 H15D 0.9800 . ?
C150 H15E 0.9800 . ?
C150 H15F 0.9800 . ?
C150 C232 1.540(15) . ?
C152 C115 1.404(11) . ?
C154 C280 1.513(10) . ?
C156 C225 1.409(10) . ?
C158 H158 0.9500 . ?
C158 C250 1.375(13) . ?
C158 C95 1.398(14) . ?
C160 C244 1.397(15) . ?
C160 C87 1.379(16) . ?
C160 C201 1.500(16) . ?
C162 H162 0.9500 . ?
C162 C93 1.371(14) . ?
C162 C107 1.397(12) . ?
C164 C41 1.405(12) . ?
C166 C191 1.538(12) . ?
C168 H168 0.9500 . ?
C168 C294 1.401(11) . ?
C170 C286 1.387(11) . ?
C170 C147 1.382(11) . ?
C172 C195 1.361(12) . ?
C174 C230 1.520(13) . ?
C174 C252 1.519(13) . ?
C174 C39 1.553(14) . ?
C176 H176 0.9500 . ?
C176 C214 1.396(11) . ?
C178 C198 1.540(10) . ?
C178 C298 1.408(11) . ?
C180 C107 1.477(14) . ?
C182 C21 1.494(11) . ?
C186 H186 0.9500 . ?
C186 C276 1.378(15) . ?
C186 C282 1.376(12) . ?
C188 H18A 0.9800 . ?
C188 H18B 0.9800 . ?
C188 H18C 0.9800 . ?
C188 C216 1.540(15) . ?
O47 C157 1.286(10) . ?
C194 H194 0.9500 . ?
C194 C177 1.369(14) . ?
C194 C77 1.403(18) . ?
C196 H196 0.9500 . ?
C196 C161 1.399(13) . ?
C196 C185 1.408(12) . ?
C198 C284 1.520(13) . ?
C198 C81 1.540(12) . ?
C200 H200 0.9500 . ?
C200 C109 1.403(12) . ?
C202 H20F 0.9800 . ?
C202 H20G 0.9800 . ?
C202 H20H 0.9800 . ?
C202 C274 1.528(13) . ?
C204 C270 1.534(15) . ?
C204 C167 1.541(12) . ?
C204 C257 1.501(16) . ?
C206 H20A 0.9900 . ?
C206 H20B 0.9900 . ?
C206 C171 1.586(14) . ?
C206 C277 1.564(15) . ?
C208 C235 1.375(14) . ?
C208 C15 1.566(13) . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C210 C216 1.539(17) . ?
C212 H212 0.9500 . ?
C212 C268 1.376(13) . ?
C214 C285 1.484(14) . ?
C214 C293 1.389(13) . ?
C216 C71 1.578(16) . ?
C218 H21G 0.9800 . ?
C218 H21H 0.9800 . ?
C218 H21I 0.9800 . ?
C218 C312 1.536(13) . ?
C220 H220 0.9500 . ?
C222 H222 0.9500 . ?
C222 C227 1.361(14) . ?
C222 C139 1.401(14) . ?
C224 H224 0.9500 . ?
C224 C272 1.372(12) . ?
C224 C41 1.387(12) . ?
C226 C241 1.544(11) . ?
C226 C259 1.579(15) . ?
C226 C295 1.488(14) . ?
C228 H228 0.9500 . ?
C228 C125 1.381(11) . ?
C230 C258 1.408(12) . ?
C230 C2 1.401(13) . ?
C232 C209 1.542(14) . ?
C232 C109 1.542(11) . ?
C232 C255 1.525(16) . ?
C234 C137 1.366(13) . ?
C234 C299 1.407(13) . ?
C236 H23A 0.9800 . ?
C236 H23B 0.9800 . ?
C236 H23C 0.9800 . ?
C238 C262 1.473(18) . ?
C238 C43 1.461(19) . ?
C238 C65 1.62(2) . ?
C238 C263 1.512(15) . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
C240 C312 1.521(14) . ?
C242 C171 1.491(13) . ?
C242 C93 1.432(13) . ?
C242 C271 1.395(11) . ?
C244 H244 0.9500 . ?
C246 H246 0.9500 . ?
C246 C245 1.378(14) . ?
C246 C247 1.356(18) . ?
C248 H248 0.9500 . ?
C248 C91 1.387(12) . ?
C250 H250 0.9500 . ?
C252 H25J 0.9800 . ?
C252 H25K 0.9800 . ?
C252 H25L 0.9800 . ?
C258 H258 0.9500 . ?
C258 C286 1.364(12) . ?
C260 H26M 0.9800 . ?
C260 H26N 0.9800 . ?
C260 H26O 0.9800 . ?
C260 C274 1.551(12) . ?
C262 H26P 0.9800 . ?
C262 H26Q 0.9800 . ?
C262 H26R 0.9800 . ?
C264 H26A 0.9800 . ?
C264 H26B 0.9800 . ?
C264 H26C 0.9800 . ?
C264 C287 1.539(16) . ?
C266 C229 1.582(14) . ?
C266 C251 1.506(16) . ?
C266 C17 1.590(12) . ?
C266 C279 1.522(15) . ?
C268 H268 0.9500 . ?
C268 C33 1.381(14) . ?
C270 H27A 0.9800 . ?
C270 H27B 0.9800 . ?
C270 H27C 0.9800 . ?
C272 C157 1.475(12) . ?
C274 C294 1.535(10) . ?
C274 C121 1.540(13) . ?
C276 C13 1.534(13) . ?
C276 C303 1.380(15) . ?
C278 H27G 0.9900 . ?
C278 H27H 0.9900 . ?
C278 C293 1.519(12) . ?
C278 C155 1.476(16) . ?
C280 C207 1.384(12) . ?
C282 H282 0.9500 . ?
C282 C21 1.376(13) . ?
C284 H28I 0.9800 . ?
C284 H28J 0.9800 . ?
C284 H28K 0.9800 . ?
C286 H286 0.9500 . ?
C288 H28A 0.9800 . ?
C288 H28B 0.9800 . ?
C288 H28C 0.9800 . ?
C288 C13 1.514(17) . ?
C290 H290 0.9500 . ?
C290 C207 1.416(11) . ?
C290 C241 1.365(13) . ?
C292 C308 1.524(10) . ?
C292 C91 1.379(11) . ?
C292 C63 1.395(11) . ?
C294 C7 1.403(11) . ?
C296 H29A 0.9800 . ?
C296 H29B 0.9800 . ?
C296 H29C 0.9800 . ?
C296 C199 1.545(17) . ?
C298 H298 0.9500 . ?
C298 C225 1.381(11) . ?
C300 H300 0.9500 . ?
C300 C55 1.418(15) . ?
C300 C299 1.366(15) . ?
C302 H302 0.9500 . ?
C302 C63 1.382(12) . ?
C304 H30F 0.9800 . ?
C304 H30G 0.9800 . ?
C304 H30H 0.9800 . ?
C304 C85 1.491(16) . ?
C306 C223 1.403(12) . ?
C306 C129 1.522(12) . ?
C306 C267 1.370(13) . ?
C310 C231 1.401(13) . ?
C312 C113 1.531(15) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C79 H79 0.9500 . ?
C79 C97 1.402(13) . ?
C159 H159 0.9500 . ?
C159 C297 1.410(14) . ?
C161 H161 0.9500 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C41 H41 0.9500 . ?
C165 H165 0.9500 . ?
C165 C235 1.402(13) . ?
C83 C99 1.365(14) . ?
C83 C123 1.400(12) . ?
C83 C73 1.508(12) . ?
C167 C197 1.399(13) . ?
C21 C131 1.385(13) . ?
C169 H169 0.9500 . ?
C169 C197 1.415(12) . ?
C85 C19 1.530(15) . ?
C171 H171 1.0000 . ?
C171 C287 1.601(14) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C173 H173 0.9500 . ?
C173 C293 1.416(15) . ?
C87 H87 0.9500 . ?
C175 C187 1.47(2) . ?
C175 C265 1.53(2) . ?
C175 C143 1.60(2) . ?
C11 H11J 0.9800 . ?
C11 H11K 0.9800 . ?
C11 H11L 0.9800 . ?
C11 C23 1.522(16) . ?
C177 H177 0.9500 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C285 1.562(16) . ?
C45 C155 1.590(16) . ?
C91 H91 0.9500 . ?
C183 C139 1.485(12) . ?
C23 C285 1.595(13) . ?
C23 C155 1.555(16) . ?
C185 C57 1.400(13) . ?
C93 C309 1.525(12) . ?
C187 H18D 0.9800 . ?
C187 H18E 0.9800 . ?
C187 H18F 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C47 C191 1.533(13) . ?
C95 C27 1.531(13) . ?
C95 C243 1.414(12) . ?
C191 C215 1.536(14) . ?
C191 C275 1.518(15) . ?
C3 H3 0.9500 . ?
C3 C247 1.395(18) . ?
C97 H97 0.9500 . ?
C195 H195 0.9500 . ?
C195 C273 1.401(14) . ?
N11 C103 1.330(11) . ?
N11 C221 1.334(12) . ?
C197 H197 0.9500 . ?
C99 H99 0.9500 . ?
C99 C103 1.412(13) . ?
C199 C53 1.549(17) . ?
C199 C55 1.532(15) . ?
C199 C135 1.521(18) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 C13 1.542(18) . ?
C201 C31 1.57(2) . ?
C201 C261 1.53(2) . ?
C201 C269 1.58(2) . ?
C101 H10G 0.9800 . ?
C101 H10H 0.9800 . ?
C101 H10I 0.9800 . ?
C101 C281 1.528(19) . ?
C203 H20C 0.9800 . ?
C203 H20D 0.9800 . ?
C203 H20E 0.9800 . ?
C203 C145 1.59(3) . ?
C207 H207 0.9500 . ?
C13 C153 1.542(18) . ?
C209 H20I 0.9800 . ?
C209 H20J 0.9800 . ?
C209 H20K 0.9800 . ?
C211 H21D 0.9800 . ?
C211 H21E 0.9800 . ?
C211 H21F 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C213 H213 1.0000 . ?
C213 C123 1.499(13) . ?
C213 C9 1.598(13) . ?
C213 C305 1.549(13) . ?
C107 N3 1.358(12) . ?
C215 H21J 0.9800 . ?
C215 H21K 0.9800 . ?
C215 H21L 0.9800 . ?
C27 C133 1.532(15) . ?
C27 C283 1.537(17) . ?
C217 H217 0.9500 . ?
C217 C55 1.369(14) . ?
C217 C137 1.393(13) . ?
C219 H219 0.9500 . ?
C219 C249 1.423(19) . ?
C219 C37 1.396(14) . ?
C221 H221 0.9500 . ?
C221 C123 1.395(12) . ?
C223 C17 1.458(13) . ?
C7 H7 0.9500 . ?
C7 C115 1.362(11) . ?
C225 H225 0.9500 . ?
C113 H11M 0.9800 . ?
C113 H11N 0.9800 . ?
C113 H11O 0.9800 . ?
C227 H227 0.9500 . ?
C57 H57 0.9500 . ?
C229 H229 1.0000 . ?
C229 C129 1.489(14) . ?
C229 C289 1.555(15) . ?
C115 H115 0.9500 . ?
C231 H231 0.9500 . ?
C231 C33 1.385(14) . ?
C29 H29D 0.9800 . ?
C29 H29E 0.9800 . ?
C29 H29F 0.9800 . ?
C29 C145 1.53(2) . ?
C235 H235 0.9500 . ?
C15 C61 1.567(18) . ?
C15 C67 1.474(17) . ?
C121 H12L 0.9800 . ?
C121 H12M 0.9800 . ?
C121 H12N 0.9800 . ?
C243 H243 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C247 H247 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C249 H249 0.9500 . ?
C249 C141 1.379(19) . ?
C125 H125 0.9500 . ?
C251 H25D 0.9800 . ?
C251 H25E 0.9800 . ?
C251 H25F 0.9800 . ?
C63 H63 0.9500 . ?
C253 H25M 0.9800 . ?
C253 H25N 0.9800 . ?
C253 H25O 0.9800 . ?
C253 C9 1.557(16) . ?
C127 H12O 0.9800 . ?
C127 H12P 0.9800 . ?
C127 H12Q 0.9800 . ?
C127 C281 1.50(2) . ?
C255 H25P 0.9800 . ?
C255 H25Q 0.9800 . ?
C255 H25R 0.9800 . ?
C2 H2 0.9500 . ?
C2 C147 1.369(13) . ?
C257 H25G 0.9800 . ?
C257 H25H 0.9800 . ?
C257 H25I 0.9800 . ?
C129 H12J 0.9900 . ?
C129 H12K 0.9900 . ?
C259 H25S 0.9800 . ?
C259 H25T 0.9800 . ?
C259 H25U 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C261 H26D 0.9800 . ?
C261 H26E 0.9800 . ?
C261 H26F 0.9800 . ?
C131 H131 0.9500 . ?
C131 C303 1.387(13) . ?
C263 C297 1.409(16) . ?
C33 H33 0.9500 . ?
C265 H26G 0.9800 . ?
C265 H26H 0.9800 . ?
C265 H26I 0.9800 . ?
C133 H13A 0.9800 . ?
C133 H13B 0.9800 . ?
C133 H13C 0.9800 . ?
C267 H267 0.9500 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
N3 C271 1.318(12) . ?
C269 H26J 0.9800 . ?
C269 H26K 0.9800 . ?
C269 H26L 0.9800 . ?
C135 H13D 0.9800 . ?
C135 H13E 0.9800 . ?
C135 H13F 0.9800 . ?
C271 H271 0.9500 . ?
C17 H17 1.0000 . ?
C17 C289 1.563(15) . ?
C273 H273 0.9500 . ?
C137 H137 0.9500 . ?
C275 H27I 0.9800 . ?
C275 H27J 0.9800 . ?
C275 H27K 0.9800 . ?
C277 H277 1.0000 . ?
C277 C287 1.553(14) . ?
C277 C309 1.498(15) . ?
C279 H27D 0.9800 . ?
C279 H27E 0.9800 . ?
C279 H27F 0.9800 . ?
C281 C313 1.513(17) . ?
C141 H141 0.9500 . ?
C283 H28D 0.9800 . ?
C283 H28E 0.9800 . ?
C283 H28F 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C285 H285 1.0000 . ?
C143 H14A 0.9800 . ?
C143 H14B 0.9800 . ?
C143 H14C 0.9800 . ?
C9 C75 1.510(16) . ?
C9 C301 1.571(14) . ?
C289 H28G 0.9900 . ?
C289 H28H 0.9900 . ?
C145 C77 1.532(16) . ?
C145 C311 1.53(2) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 C301 1.502(15) . ?
C147 H147 0.9500 . ?
C295 H29G 0.9800 . ?
C295 H29H 0.9800 . ?
C295 H29I 0.9800 . ?
C37 H37 0.9500 . ?
C297 H297 0.9500 . ?
C149 H149 0.9500 . ?
C149 C151 1.380(15) . ?
C299 H299 0.9500 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C301 H301 1.0000 . ?
C301 C305 1.558(14) . ?
C151 H151 0.9500 . ?
C151 C77 1.375(18) . ?
C303 H303 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C305 H30I 0.9900 . ?
C305 H30J 0.9900 . ?
C153 H15A 0.9800 . ?
C153 H15B 0.9800 . ?
C153 H15C 0.9800 . ?
C307 H30A 0.9800 . ?
C307 H30B 0.9800 . ?
C307 H30C 0.9800 . ?
C309 H30D 0.9900 . ?
C309 H30E 0.9900 . ?
C155 H155 1.0000 . ?
C311 H31D 0.9800 . ?
C311 H31E 0.9800 . ?
C311 H31F 0.9800 . ?
C313 H31G 0.9800 . ?
C313 H31H 0.9800 . ?
C313 H31I 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ti6 Eu1 Ti2 53.78(3) . . ?
Ti8 Eu1 Ti6 44.53(4) . . ?
Ti8 Eu1 Ti2 72.83(3) . . ?
Ti8 Eu1 Ti7 54.41(4) . . ?
Ti7 Eu1 Ti6 72.05(3) . . ?
Ti7 Eu1 Ti2 44.16(3) . . ?
O1 Eu1 Ti6 71.38(13) . . ?
O1 Eu1 Ti8 72.70(13) . . ?
O1 Eu1 Ti2 24.23(13) . . ?
O1 Eu1 Ti7 25.49(13) . . ?
O1 Eu1 O18 127.68(19) . . ?
O1 Eu1 N1 80.6(2) . . ?
O1 Eu1 O11 131.4(2) . . ?
O1 Eu1 N14 142.6(2) . . ?
O18 Eu1 Ti6 64.29(15) . . ?
O18 Eu1 Ti8 92.84(15) . . ?
O18 Eu1 Ti2 103.57(15) . . ?
O18 Eu1 Ti7 136.31(15) . . ?
O18 Eu1 N1 124.8(2) . . ?
O18 Eu1 N14 75.6(2) . . ?
N1 Eu1 Ti6 145.81(15) . . ?
N1 Eu1 Ti8 142.28(17) . . ?
N1 Eu1 Ti2 93.29(15) . . ?
N1 Eu1 Ti7 90.99(17) . . ?
O36 Eu1 Ti6 78.74(15) . . ?
O36 Eu1 Ti8 120.64(15) . . ?
O36 Eu1 Ti2 57.50(15) . . ?
O36 Eu1 Ti7 99.10(15) . . ?
O36 Eu1 O1 73.9(2) . . ?
O36 Eu1 O18 71.5(2) . . ?
O36 Eu1 N1 74.9(2) . . ?
O36 Eu1 O37 103.03(19) . . ?
O36 Eu1 O21 136.9(2) . . ?
O36 Eu1 O11 149.8(2) . . ?
O36 Eu1 N14 90.7(2) . . ?
O37 Eu1 Ti6 24.39(13) . . ?
O37 Eu1 Ti8 24.15(14) . . ?
O37 Eu1 Ti2 70.40(13) . . ?
O37 Eu1 Ti7 70.30(14) . . ?
O37 Eu1 O1 80.45(18) . . ?
O37 Eu1 O18 70.7(2) . . ?
O37 Eu1 N1 160.8(2) . . ?
O37 Eu1 O21 102.6(2) . . ?
O37 Eu1 O11 71.29(19) . . ?
O37 Eu1 N14 136.8(2) . . ?
O21 Eu1 Ti6 120.36(15) . . ?
O21 Eu1 Ti8 78.52(14) . . ?
O21 Eu1 Ti2 100.57(15) . . ?
O21 Eu1 Ti7 58.72(15) . . ?
O21 Eu1 O1 76.8(2) . . ?
O21 Eu1 O18 150.6(2) . . ?
O21 Eu1 N1 69.6(2) . . ?
O21 Eu1 O11 72.1(2) . . ?
O21 Eu1 N14 93.7(2) . . ?
O11 Eu1 Ti6 93.48(15) . . ?
O11 Eu1 Ti8 65.31(15) . . ?
O11 Eu1 Ti2 138.14(15) . . ?
O11 Eu1 Ti7 106.21(15) . . ?
O11 Eu1 O18 78.8(2) . . ?
O11 Eu1 N1 120.1(2) . . ?
O11 Eu1 N14 76.4(2) . . ?
N14 Eu1 Ti6 139.83(16) . . ?
N14 Eu1 Ti8 141.54(15) . . ?
N14 Eu1 Ti2 145.26(15) . . ?
N14 Eu1 Ti7 148.10(16) . . ?
N14 Eu1 N1 62.3(2) . . ?
Ti1 Eu4 Ti4 44.90(3) . . ?
Ti1 Eu4 Ti5 54.69(3) . . ?
Ti1 Eu4 Ti3 73.03(3) . . ?
Ti4 Eu4 Ti5 73.29(3) . . ?
Ti4 Eu4 Ti3 54.60(3) . . ?
Ti5 Eu4 Ti3 44.45(3) . . ?
O16 Eu4 Ti1 72.94(12) . . ?
O16 Eu4 Ti4 72.74(12) . . ?
O16 Eu4 Ti5 25.36(12) . . ?
O16 Eu4 Ti3 24.76(12) . . ?
O16 Eu4 O25 129.59(18) . . ?
O16 Eu4 O5 131.47(17) . . ?
O16 Eu4 N15 141.6(2) . . ?
O16 Eu4 N11 78.7(2) . . ?
O32 Eu4 Ti1 24.44(12) . . ?
O32 Eu4 Ti4 24.74(13) . . ?
O32 Eu4 Ti5 71.39(12) . . ?
O32 Eu4 Ti3 71.34(13) . . ?
O32 Eu4 O16 81.69(18) . . ?
O32 Eu4 O25 72.22(18) . . ?
O32 Eu4 O33 103.23(19) . . ?
O32 Eu4 O5 71.64(19) . . ?
O32 Eu4 N15 136.7(2) . . ?
O32 Eu4 O23 104.51(18) . . ?
O32 Eu4 N11 160.3(2) . . ?
O25 Eu4 Ti1 94.85(13) . . ?
O25 Eu4 Ti4 65.50(13) . . ?
O25 Eu4 Ti5 138.73(13) . . ?
O25 Eu4 Ti3 104.88(13) . . ?
O25 Eu4 N15 75.9(2) . . ?
O25 Eu4 N11 122.7(2) . . ?
O33 Eu4 Ti1 120.65(14) . . ?
O33 Eu4 Ti4 78.59(14) . . ?
O33 Eu4 Ti5 99.39(13) . . ?
O33 Eu4 Ti3 57.49(13) . . ?
O33 Eu4 O16 74.40(18) . . ?
O33 Eu4 O25 70.9(2) . . ?
O33 Eu4 O5 150.12(19) . . ?
O33 Eu4 N15 93.0(2) . . ?
O33 Eu4 O23 136.0(2) . . ?
O33 Eu4 N11 73.3(2) . . ?
O5 Eu4 Ti1 65.99(13) . . ?
O5 Eu4 Ti4 94.18(14) . . ?
O5 Eu4 Ti5 106.26(13) . . ?
O5 Eu4 Ti3 139.02(13) . . ?
O5 Eu4 O25 79.71(19) . . ?
O5 Eu4 N15 74.4(2) . . ?
O5 Eu4 N11 121.1(2) . . ?
N15 Eu4 Ti1 140.38(18) . . ?
N15 Eu4 Ti4 141.20(18) . . ?
N15 Eu4 Ti5 145.35(18) . . ?
N15 Eu4 Ti3 146.55(18) . . ?
N15 Eu4 N11 63.0(2) . . ?
O23 Eu4 Ti1 80.25(13) . . ?
O23 Eu4 Ti4 122.62(13) . . ?
O23 Eu4 Ti5 59.26(13) . . ?
O23 Eu4 Ti3 101.02(14) . . ?
O23 Eu4 O16 76.61(18) . . ?
O23 Eu4 O25 150.9(2) . . ?
O23 Eu4 O5 72.10(19) . . ?
O23 Eu4 N15 89.6(2) . . ?
O23 Eu4 N11 69.1(2) . . ?
N11 Eu4 Ti1 142.14(15) . . ?
N11 Eu4 Ti4 144.20(16) . . ?
N11 Eu4 Ti5 89.80(16) . . ?
N11 Eu4 Ti3 91.17(16) . . ?
Ti4 Eu2 Ti1 44.50(3) . . ?
Ti5 Eu2 Ti1 54.67(3) . . ?
Ti5 Eu2 Ti4 73.35(3) . . ?
Ti3 Eu2 Ti1 73.34(3) . . ?
Ti3 Eu2 Ti4 54.89(3) . . ?
Ti3 Eu2 Ti5 45.06(3) . . ?
O14 Eu2 Ti1 101.21(13) . . ?
O14 Eu2 Ti4 58.84(13) . . ?
O14 Eu2 Ti5 120.93(13) . . ?
O14 Eu2 Ti3 78.16(13) . . ?
O14 Eu2 O20 71.61(18) . . ?
O14 Eu2 O34 150.41(19) . . ?
O14 Eu2 N4 68.3(2) . . ?
O14 Eu2 O39 77.00(18) . . ?
O14 Eu2 N8 90.8(2) . . ?
O20 Eu2 Ti1 139.36(12) . . ?
O20 Eu2 Ti4 107.15(12) . . ?
O20 Eu2 Ti5 93.76(13) . . ?
O20 Eu2 Ti3 66.02(12) . . ?
O20 Eu2 O34 79.22(18) . . ?
O20 Eu2 N4 119.4(2) . . ?
O20 Eu2 N8 75.0(2) . . ?
O34 Eu2 Ti1 104.15(13) . . ?
O34 Eu2 Ti4 138.22(13) . . ?
O34 Eu2 Ti5 64.98(13) . . ?
O34 Eu2 Ti3 94.70(13) . . ?
O34 Eu2 N4 125.03(19) . . ?
O34 Eu2 N8 76.7(2) . . ?
N4 Eu2 Ti1 92.25(17) . . ?
N4 Eu2 Ti4 88.63(16) . . ?
N4 Eu2 Ti5 146.00(16) . . ?
N4 Eu2 Ti3 140.18(15) . . ?
O46 Eu2 Ti1 71.59(13) . . ?
O46 Eu2 Ti4 71.65(12) . . ?
O46 Eu2 Ti5 24.80(13) . . ?
O46 Eu2 Ti3 24.61(12) . . ?
O46 Eu2 O14 102.55(18) . . ?
O46 Eu2 O20 71.28(18) . . ?
O46 Eu2 O34 71.81(17) . . ?
O46 Eu2 N4 160.0(2) . . ?
O46 Eu2 O39 81.83(17) . . ?
O46 Eu2 N8 137.2(2) . . ?
O49 Eu2 Ti1 58.24(13) . . ?
O49 Eu2 Ti4 99.94(14) . . ?
O49 Eu2 Ti5 79.68(14) . . ?
O49 Eu2 Ti3 121.97(14) . . ?
O49 Eu2 O14 137.4(2) . . ?
O49 Eu2 O20 149.01(19) . . ?
O49 Eu2 O34 70.5(2) . . ?
O49 Eu2 N4 75.3(2) . . ?
O49 Eu2 O46 104.35(19) . . ?
O49 Eu2 O39 74.89(18) . . ?
O49 Eu2 N8 91.4(2) . . ?
O39 Eu2 Ti1 24.72(12) . . ?
O39 Eu2 Ti4 25.33(12) . . ?
O39 Eu2 Ti5 72.68(12) . . ?
O39 Eu2 Ti3 73.09(12) . . ?
O39 Eu2 O20 132.27(17) . . ?
O39 Eu2 O34 128.81(17) . . ?
O39 Eu2 N4 78.8(2) . . ?
O39 Eu2 N8 141.0(2) . . ?
N8 Eu2 Ti1 145.63(17) . . ?
N8 Eu2 Ti4 145.05(17) . . ?
N8 Eu2 Ti5 141.53(17) . . ?
N8 Eu2 Ti3 140.99(17) . . ?
N8 Eu2 N4 62.3(2) . . ?
Ti6 Eu3 Ti8 44.21(3) . . ?
Ti6 Eu3 Ti2 54.37(3) . . ?
Ti6 Eu3 Ti7 72.30(3) . . ?
Ti2 Eu3 Ti8 72.58(3) . . ?
Ti2 Eu3 Ti7 44.47(3) . . ?
Ti7 Eu3 Ti8 53.81(3) . . ?
O26 Eu3 Ti6 104.94(15) . . ?
O26 Eu3 Ti8 137.74(14) . . ?
O26 Eu3 Ti2 65.18(14) . . ?
O26 Eu3 Ti7 94.14(13) . . ?
O26 Eu3 N10 75.5(2) . . ?
O26 Eu3 N3 122.4(2) . . ?
O38 Eu3 Ti6 59.56(15) . . ?
O38 Eu3 Ti8 100.57(15) . . ?
O38 Eu3 Ti2 81.77(14) . . ?
O38 Eu3 Ti7 123.20(15) . . ?
O38 Eu3 O26 72.7(2) . . ?
O38 Eu3 O48 106.15(19) . . ?
O38 Eu3 N10 90.8(2) . . ?
O38 Eu3 O43 150.9(2) . . ?
O38 Eu3 O3 76.6(2) . . ?
O38 Eu3 N3 70.4(2) . . ?
O48 Eu3 Ti6 70.92(14) . . ?
O48 Eu3 Ti8 70.68(13) . . ?
O48 Eu3 Ti2 24.48(13) . . ?
O48 Eu3 Ti7 24.39(13) . . ?
O48 Eu3 O26 71.52(18) . . ?
O48 Eu3 N10 135.9(2) . . ?
O48 Eu3 O43 69.9(2) . . ?
O48 Eu3 O3 80.34(19) . . ?
O48 Eu3 N3 161.4(2) . . ?
N10 Eu3 Ti6 147.35(18) . . ?
N10 Eu3 Ti8 146.67(16) . . ?
N10 Eu3 Ti2 140.50(16) . . ?
N10 Eu3 Ti7 140.23(18) . . ?
N10 Eu3 N3 62.6(2) . . ?
O86 Eu3 Ti6 99.65(16) . . ?
O86 Eu3 Ti8 57.67(16) . . ?
O86 Eu3 Ti2 119.63(15) . . ?
O86 Eu3 Ti7 77.57(16) . . ?
O86 Eu3 O26 150.3(2) . . ?
O86 Eu3 O38 135.6(2) . . ?
O86 Eu3 O48 101.8(2) . . ?
O86 Eu3 N10 92.6(2) . . ?
O86 Eu3 O43 71.7(2) . . ?
O86 Eu3 O3 74.8(2) . . ?
O86 Eu3 N3 72.1(2) . . ?
O43 Eu3 Ti6 136.89(14) . . ?
O43 Eu3 Ti8 104.82(14) . . ?
O43 Eu3 Ti2 92.33(14) . . ?
O43 Eu3 Ti7 64.59(14) . . ?
O43 Eu3 O26 78.9(2) . . ?
O43 Eu3 N10 75.7(2) . . ?
O43 Eu3 N3 122.2(2) . . ?
O3 Eu3 Ti6 25.15(13) . . ?
O3 Eu3 Ti8 24.09(13) . . ?
O3 Eu3 Ti2 71.96(13) . . ?
O3 Eu3 Ti7 71.02(13) . . ?
O3 Eu3 O26 129.83(19) . . ?
O3 Eu3 N10 143.7(2) . . ?
O3 Eu3 O43 128.66(19) . . ?
O3 Eu3 N3 81.1(2) . . ?
N3 Eu3 Ti6 92.48(17) . . ?
N3 Eu3 Ti8 91.74(17) . . ?
N3 Eu3 Ti2 145.04(18) . . ?
N3 Eu3 Ti7 143.19(16) . . ?
Eu4 Ti1 Eu2 106.96(4) . . ?
Ti4 Ti1 Eu4 67.69(4) . . ?
Ti4 Ti1 Eu2 67.74(4) . . ?
O4 Ti1 Eu4 72.10(16) . . ?
O4 Ti1 Eu2 160.93(17) . . ?
O4 Ti1 Ti4 126.27(16) . . ?
O4 Ti1 O12 81.9(2) . . ?
O4 Ti1 O56 92.0(2) . . ?
O12 Ti1 Eu4 112.15(15) . . ?
O12 Ti1 Eu2 115.00(16) . . ?
O12 Ti1 Ti4 81.82(15) . . ?
O32 Ti1 Eu4 30.86(15) . . ?
O32 Ti1 Eu2 100.51(17) . . ?
O32 Ti1 Ti4 41.08(16) . . ?
O32 Ti1 O4 88.0(2) . . ?
O32 Ti1 O12 89.3(2) . . ?
O32 Ti1 O39 81.6(2) . . ?
O32 Ti1 O56 174.1(2) . . ?
O7 Ti1 Eu4 72.16(16) . . ?
O7 Ti1 Eu2 71.01(17) . . ?
O7 Ti1 Ti4 108.35(17) . . ?
O7 Ti1 O4 91.0(2) . . ?
O7 Ti1 O12 169.8(2) . . ?
O7 Ti1 O32 97.8(2) . . ?
O7 Ti1 O39 98.6(2) . . ?
O7 Ti1 O56 88.0(2) . . ?
O39 Ti1 Eu4 102.05(15) . . ?
O39 Ti1 Eu2 31.74(15) . . ?
O39 Ti1 Ti4 41.64(15) . . ?
O39 Ti1 O4 166.6(2) . . ?
O39 Ti1 O12 89.6(2) . . ?
O39 Ti1 O56 97.5(2) . . ?
O56 Ti1 Eu4 153.93(15) . . ?
O56 Ti1 Eu2 81.25(15) . . ?
O56 Ti1 Ti4 136.62(16) . . ?
O56 Ti1 O12 84.9(2) . . ?
Eu4 Ti4 Eu2 106.81(3) . . ?
Ti1 Ti4 Eu4 67.41(4) . . ?
Ti1 Ti4 Eu2 67.76(4) . . ?
O22 Ti4 Eu4 72.34(17) . . ?
O22 Ti4 Eu2 71.01(16) . . ?
O22 Ti4 Ti1 108.40(17) . . ?
O22 Ti4 O24 91.6(2) . . ?
O22 Ti4 O32 98.0(2) . . ?
O22 Ti4 O40 91.6(2) . . ?
O22 Ti4 O39 98.8(2) . . ?
O22 Ti4 O126 170.6(2) . . ?
O24 Ti4 Eu4 158.95(16) . . ?
O24 Ti4 Eu2 79.47(14) . . ?
O24 Ti4 Ti1 132.24(16) . . ?
O24 Ti4 O126 81.9(2) . . ?
O32 Ti4 Eu4 30.95(15) . . ?
O32 Ti4 Eu2 100.17(15) . . ?
O32 Ti4 Ti1 40.65(15) . . ?
O32 Ti4 O24 169.7(2) . . ?
O32 Ti4 O40 89.4(2) . . ?
O32 Ti4 O39 80.6(2) . . ?
O32 Ti4 O126 88.9(2) . . ?
O40 Ti4 Eu4 73.56(16) . . ?
O40 Ti4 Eu2 161.08(18) . . ?
O40 Ti4 Ti1 127.03(17) . . ?
O40 Ti4 O24 94.0(2) . . ?
O40 Ti4 O126 82.1(2) . . ?
O39 Ti4 Eu4 101.34(16) . . ?
O39 Ti4 Eu2 32.16(15) . . ?
O39 Ti4 Ti1 41.09(15) . . ?
O39 Ti4 O24 94.3(2) . . ?
O39 Ti4 O40 166.4(2) . . ?
O39 Ti4 O126 88.5(2) . . ?
O126 Ti4 Eu4 112.17(16) . . ?
O126 Ti4 Eu2 114.11(15) . . ?
O126 Ti4 Ti1 81.00(15) . . ?
Eu3 Ti6 Eu1 107.83(4) . . ?
Ti8 Ti6 Eu1 66.98(4) . . ?
Ti8 Ti6 Eu3 68.99(5) . . ?
O15 Ti6 Eu1 73.04(17) . . ?
O15 Ti6 Eu3 162.01(18) . . ?
O15 Ti6 Ti8 125.37(17) . . ?
O15 Ti6 O31 93.8(2) . . ?
O15 Ti6 O19 81.4(3) . . ?
O31 Ti6 Eu1 159.26(18) . . ?
O31 Ti6 Eu3 79.80(18) . . ?
O31 Ti6 Ti8 132.97(19) . . ?
O31 Ti6 O19 80.5(2) . . ?
O35 Ti6 Eu1 73.47(17) . . ?
O35 Ti6 Eu3 70.74(19) . . ?
O35 Ti6 Ti8 109.05(19) . . ?
O35 Ti6 O15 92.9(3) . . ?
O35 Ti6 O31 91.8(2) . . ?
O35 Ti6 O37 99.1(2) . . ?
O35 Ti6 O19 170.0(3) . . ?
O35 Ti6 O3 98.7(3) . . ?
O37 Ti6 Eu1 31.05(16) . . ?
O37 Ti6 Eu3 100.96(18) . . ?
O37 Ti6 Ti8 39.95(17) . . ?
O37 Ti6 O15 88.6(2) . . ?
O37 Ti6 O31 168.8(2) . . ?
O37 Ti6 O19 89.0(2) . . ?
O19 Ti6 Eu1 112.21(18) . . ?
O19 Ti6 Eu3 113.7(2) . . ?
O19 Ti6 Ti8 80.93(18) . . ?
O3 Ti6 Eu1 101.09(17) . . ?
O3 Ti6 Eu3 32.68(17) . . ?
O3 Ti6 Ti8 41.34(17) . . ?
O3 Ti6 O15 165.0(2) . . ?
O3 Ti6 O31 95.4(2) . . ?
O3 Ti6 O37 80.2(2) . . ?
O3 Ti6 O19 88.4(3) . . ?
Eu1 Ti8 Eu3 107.45(4) . . ?
Ti6 Ti8 Eu1 68.50(5) . . ?
Ti6 Ti8 Eu3 66.80(5) . . ?
O8 Ti8 Eu1 153.32(18) . . ?
O8 Ti8 Eu3 79.54(17) . . ?
O8 Ti8 Ti6 135.42(18) . . ?
O8 Ti8 O41 84.7(2) . . ?
O44 Ti8 Eu1 72.89(17) . . ?
O44 Ti8 Eu3 162.73(19) . . ?
O44 Ti8 Ti6 126.82(19) . . ?
O44 Ti8 O8 92.9(2) . . ?
O44 Ti8 O41 81.5(3) . . ?
O13 Ti8 Eu1 71.70(18) . . ?
O13 Ti8 Eu3 71.83(18) . . ?
O13 Ti8 Ti6 108.07(18) . . ?
O13 Ti8 O8 86.9(2) . . ?
O13 Ti8 O44 92.4(3) . . ?
O13 Ti8 O37 97.6(3) . . ?
O13 Ti8 O41 169.4(3) . . ?
O13 Ti8 O3 98.5(3) . . ?
O37 Ti8 Eu1 31.53(17) . . ?
O37 Ti8 Eu3 99.88(18) . . ?
O37 Ti8 Ti6 41.08(17) . . ?
O37 Ti8 O8 175.1(3) . . ?
O37 Ti8 O44 89.0(2) . . ?
O37 Ti8 O41 91.0(2) . . ?
O37 Ti8 O3 80.9(2) . . ?
O41 Ti8 Eu1 114.27(19) . . ?
O41 Ti8 Eu3 112.88(18) . . ?
O41 Ti8 Ti6 82.52(18) . . ?
O3 Ti8 Eu1 102.19(17) . . ?
O3 Ti8 Eu3 31.00(18) . . ?
O3 Ti8 Ti6 40.99(18) . . ?
O3 Ti8 O8 96.4(2) . . ?
O3 Ti8 O44 166.0(3) . . ?
O3 Ti8 O41 89.0(2) . . ?
Eu3 Ti2 Eu1 107.14(4) . . ?
Ti7 Ti2 Eu1 67.11(4) . . ?
Ti7 Ti2 Eu3 67.96(4) . . ?
O1 Ti2 Eu1 30.81(18) . . ?
O1 Ti2 Eu3 102.58(17) . . ?
O1 Ti2 Ti7 41.92(18) . . ?
O1 Ti2 O30 89.5(2) . . ?
O1 Ti2 O2 166.3(3) . . ?
O1 Ti2 O47 96.9(2) . . ?
O30 Ti2 Eu1 113.86(17) . . ?
O30 Ti2 Eu3 113.51(17) . . ?
O30 Ti2 Ti7 82.62(17) . . ?
O48 Ti2 Eu1 100.28(17) . . ?
O48 Ti2 Eu3 31.28(17) . . ?
O48 Ti2 Ti7 41.07(16) . . ?
O48 Ti2 O1 81.9(2) . . ?
O48 Ti2 O30 90.3(2) . . ?
O48 Ti2 O2 88.3(2) . . ?
O48 Ti2 O47 175.3(2) . . ?
O2 Ti2 Eu1 162.64(18) . . ?
O2 Ti2 Eu3 72.84(17) . . ?
O2 Ti2 Ti7 126.30(18) . . ?
O2 Ti2 O30 80.9(2) . . ?
O2 Ti2 O47 92.1(2) . . ?
O35 Ti2 Eu1 72.44(17) . . ?
O35 Ti2 Eu3 70.55(18) . . ?
O35 Ti2 Ti7 107.65(18) . . ?
O35 Ti2 O1 99.0(2) . . ?
O35 Ti2 O30 169.7(2) . . ?
O35 Ti2 O48 96.7(3) . . ?
O35 Ti2 O2 91.7(2) . . ?
O35 Ti2 O47 88.0(2) . . ?
O47 Ti2 Eu1 80.61(16) . . ?
O47 Ti2 Eu3 152.88(16) . . ?
O47 Ti2 Ti7 136.72(17) . . ?
O47 Ti2 O30 85.1(2) . . ?
Eu2 Ti5 Eu4 106.55(3) . . ?
Ti3 Ti5 Eu4 68.00(4) . . ?
Ti3 Ti5 Eu2 67.13(4) . . ?
O6 Ti5 Eu4 114.40(15) . . ?
O6 Ti5 Eu2 112.35(16) . . ?
O6 Ti5 Ti3 81.21(15) . . ?
O16 Ti5 Eu4 32.14(16) . . ?
O16 Ti5 Eu2 101.27(16) . . ?
O16 Ti5 Ti3 41.44(16) . . ?
O16 Ti5 O6 88.8(2) . . ?
O16 Ti5 O28 165.6(2) . . ?
O16 Ti5 O9 93.8(2) . . ?
O28 Ti5 Eu4 162.09(17) . . ?
O28 Ti5 Eu2 74.24(16) . . ?
O28 Ti5 Ti3 126.36(16) . . ?
O28 Ti5 O6 80.6(2) . . ?
O28 Ti5 O9 94.2(2) . . ?
O46 Ti5 Eu4 100.14(15) . . ?
O46 Ti5 Eu2 31.20(16) . . ?
O46 Ti5 Ti3 40.25(15) . . ?
O46 Ti5 O6 88.8(2) . . ?
O46 Ti5 O16 80.6(2) . . ?
O46 Ti5 O28 89.4(2) . . ?
O46 Ti5 O9 169.2(2) . . ?
O7 Ti5 Eu4 71.07(16) . . ?
O7 Ti5 Eu2 71.85(17) . . ?
O7 Ti5 Ti3 108.23(16) . . ?
O7 Ti5 O6 170.5(2) . . ?
O7 Ti5 O16 98.9(2) . . ?
O7 Ti5 O28 92.7(2) . . ?
O7 Ti5 O46 97.9(2) . . ?
O7 Ti5 O9 92.1(2) . . ?
O9 Ti5 Eu4 79.22(15) . . ?
O9 Ti5 Eu2 159.34(16) . . ?
O9 Ti5 Ti3 132.03(16) . . ?
O9 Ti5 O6 81.7(2) . . ?
Eu2 Ti3 Eu4 106.67(4) . . ?
Ti5 Ti3 Eu4 67.55(4) . . ?
Ti5 Ti3 Eu2 67.81(4) . . ?
O10 Ti3 Eu4 81.01(16) . . ?
O10 Ti3 Eu2 153.97(16) . . ?
O10 Ti3 Ti5 136.23(16) . . ?
O16 Ti3 Eu4 31.54(14) . . ?
O16 Ti3 Eu2 102.12(15) . . ?
O16 Ti3 Ti5 41.71(14) . . ?
O16 Ti3 O10 97.0(2) . . ?
O16 Ti3 O17 89.8(2) . . ?
O16 Ti3 O45 165.8(2) . . ?
O22 Ti3 Eu4 70.89(17) . . ?
O22 Ti3 Eu2 72.13(16) . . ?
O22 Ti3 Ti5 108.42(17) . . ?
O22 Ti3 O10 87.8(2) . . ?
O22 Ti3 O16 98.5(2) . . ?
O22 Ti3 O46 98.3(2) . . ?
O22 Ti3 O17 169.5(2) . . ?
O22 Ti3 O45 91.8(2) . . ?
O46 Ti3 Eu4 100.19(17) . . ?
O46 Ti3 Eu2 31.36(16) . . ?
O46 Ti3 Ti5 40.83(16) . . ?
O46 Ti3 O10 173.9(2) . . ?
O46 Ti3 O16 81.5(2) . . ?
O46 Ti3 O17 89.3(2) . . ?
O46 Ti3 O45 87.4(2) . . ?
O17 Ti3 Eu4 115.07(16) . . ?
O17 Ti3 Eu2 112.61(15) . . ?
O17 Ti3 Ti5 82.11(15) . . ?
O17 Ti3 O10 84.8(2) . . ?
O45 Ti3 Eu4 161.87(16) . . ?
O45 Ti3 Eu2 71.72(15) . . ?
O45 Ti3 Ti5 125.38(15) . . ?
O45 Ti3 O10 93.2(2) . . ?
O45 Ti3 O17 81.2(2) . . ?
Eu1 Ti7 Eu3 107.82(4) . . ?
Ti2 Ti7 Eu1 68.73(5) . . ?
Ti2 Ti7 Eu3 67.56(4) . . ?
O1 Ti7 Eu1 32.35(17) . . ?
O1 Ti7 Eu3 102.07(17) . . ?
O1 Ti7 Ti2 41.75(17) . . ?
O1 Ti7 O42 88.0(2) . . ?
O1 Ti7 O27 165.1(2) . . ?
O1 Ti7 O29 95.3(2) . . ?
O42 Ti7 Eu1 113.45(18) . . ?
O42 Ti7 Eu3 112.48(17) . . ?
O42 Ti7 Ti2 80.67(16) . . ?
O48 Ti7 Eu1 101.62(18) . . ?
O48 Ti7 Eu3 31.05(16) . . ?
O48 Ti7 Ti2 40.91(17) . . ?
O48 Ti7 O1 81.6(2) . . ?
O48 Ti7 O42 88.8(2) . . ?
O48 Ti7 O27 87.5(2) . . ?
O48 Ti7 O29 170.0(3) . . ?
O13 Ti7 Eu1 71.10(19) . . ?
O13 Ti7 Eu3 73.32(18) . . ?
O13 Ti7 Ti2 109.57(19) . . ?
O13 Ti7 O1 99.2(3) . . ?
O13 Ti7 O42 169.7(2) . . ?
O13 Ti7 O48 99.4(3) . . ?
O13 Ti7 O27 92.5(3) . . ?
O13 Ti7 O29 90.5(3) . . ?
O27 Ti7 Eu1 162.23(18) . . ?
O27 Ti7 Eu3 72.48(17) . . ?
O27 Ti7 Ti2 125.21(17) . . ?
O27 Ti7 O42 81.7(2) . . ?
O27 Ti7 O29 93.7(2) . . ?
O29 Ti7 Eu1 80.03(18) . . ?
O29 Ti7 Eu3 157.79(18) . . ?
O29 Ti7 Ti2 133.67(19) . . ?
O29 Ti7 O42 81.5(2) . . ?
Ti2 O1 Eu1 125.0(3) . . ?
Ti2 O1 Ti7 96.3(3) . . ?
Ti7 O1 Eu1 122.2(3) . . ?
C1 O4 Ti1 131.4(5) . . ?
C118 O6 Ti5 125.6(5) . . ?
C44 O8 Ti8 123.5(5) . . ?
C154 O10 Ti3 121.2(5) . . ?
C108 O12 Ti1 125.3(5) . . ?
C308 O14 Eu2 141.7(5) . . ?
Ti5 O16 Eu4 122.5(3) . . ?
Ti3 O16 Eu4 123.7(2) . . ?
Ti3 O16 Ti5 96.9(2) . . ?
C116 O18 Eu1 134.2(6) . . ?
C291 O20 Eu2 131.3(5) . . ?
Ti4 O22 Ti3 143.1(3) . . ?
C66 N1 Eu1 121.0(5) . . ?
C146 N1 Eu1 118.5(6) . . ?
C146 N1 C66 118.2(7) . . ?
C308 O24 Ti4 125.4(5) . . ?
C40 O26 Eu3 134.4(5) . . ?
C136 O28 Ti5 136.2(5) . . ?
C183 O30 Ti2 124.9(5) . . ?
Ti1 O32 Eu4 124.7(2) . . ?
Ti1 O32 Ti4 98.3(2) . . ?
Ti4 O32 Eu4 124.3(2) . . ?
O4 C1 C172 116.7(7) . . ?
O5 C1 O4 124.5(8) . . ?
O5 C1 C172 118.8(7) . . ?
C136 O34 Eu2 132.8(5) . . ?
C157 O36 Eu1 152.1(6) . . ?
C182 O38 Eu3 143.7(5) . . ?
C92 O40 Ti4 135.0(5) . . ?
C183 O42 Ti7 126.2(5) . . ?
C5 O44 Ti8 132.3(5) . . ?
C96 N4 Eu2 119.5(6) . . ?
C176 N4 Eu2 120.3(5) . . ?
C176 N4 C96 117.1(7) . . ?
Ti5 O46 Eu2 124.0(3) . . ?
Ti3 O46 Eu2 124.0(2) . . ?
Ti3 O46 Ti5 98.9(2) . . ?
Ti2 O48 Eu3 124.2(3) . . ?
Ti2 O48 Ti7 98.0(3) . . ?
Ti7 O48 Eu3 124.6(3) . . ?
C184 O49 Eu2 150.4(5) . . ?
C92 O25 Eu4 130.5(5) . . ?
Ti7 O13 Ti8 142.4(3) . . ?
C163 O27 Ti7 130.7(5) . . ?
C177 C4 C36 120.8(9) . . ?
C177 C4 C149 118.8(10) . . ?
C149 C4 C36 120.2(9) . . ?
Ti5 O7 Ti1 143.5(3) . . ?
C192 O29 Ti7 125.9(5) . . ?
C116 O15 Ti6 130.6(5) . . ?
C34 C6 H6 119.9 . . ?
C98 C6 H6 119.9 . . ?
C98 C6 C34 120.1(9) . . ?
C182 O31 Ti6 126.2(6) . . ?
C40 O2 Ti2 132.8(5) . . ?
C154 O33 Eu4 151.0(5) . . ?
C118 O17 Ti3 126.5(5) . . ?
Ti6 O35 Ti2 143.2(3) . . ?
C38 C8 H8 119.8 . . ?
C124 C8 H8 119.8 . . ?
C124 C8 C38 120.5(7) . . ?
C74 O9 Ti5 128.3(5) . . ?
Ti6 O37 Eu1 124.6(3) . . ?
Ti8 O37 Eu1 124.3(3) . . ?
Ti8 O37 Ti6 99.0(3) . . ?
C36 O19 Ti6 125.8(6) . . ?
Ti1 O39 Eu2 123.5(2) . . ?
Ti1 O39 Ti4 97.3(2) . . ?
Ti4 O39 Eu2 122.5(2) . . ?
C64 C10 H10 119.4 . . ?
C64 C10 C243 121.1(8) . . ?
C243 C10 H10 119.4 . . ?
C60 C12 H12 119.9 . . ?
C82 C12 H12 119.9 . . ?
C82 C12 C60 120.1(10) . . ?
N8 C14 H14 119.4 . . ?
N8 C14 C3 121.2(10) . . ?
C3 C14 H14 119.4 . . ?
C152 C16 H16 119.9 . . ?
C168 C16 H16 119.9 . . ?
C168 C16 C152 120.1(7) . . ?
C106 C18 H18 119.7 . . ?
C106 C18 C241 120.5(8) . . ?
C241 C18 H18 119.7 . . ?
C1 O5 Eu4 131.1(5) . . ?
C248 C20 C302 117.0(8) . . ?
C248 C20 C312 124.0(8) . . ?
C302 C20 C312 119.1(8) . . ?
C148 C22 H22 119.9 . . ?
C244 C22 H22 119.9 . . ?
C244 C22 C148 120.2(10) . . ?
C220 C24 C85 122.9(8) . . ?
C125 C24 C220 116.9(7) . . ?
C125 C24 C85 120.2(8) . . ?
N15 C26 C103 117.7(8) . . ?
N15 C26 C141 120.9(10) . . ?
C141 C26 C103 121.3(10) . . ?
C68 C28 H28 118.3 . . ?
C57 C28 H28 118.3 . . ?
C57 C28 C68 123.4(9) . . ?
C70 C30 H30 118.7 . . ?
C70 C30 C164 122.7(8) . . ?
C164 C30 H30 118.7 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C85 C32 H32A 109.5 . . ?
C85 C32 H32B 109.5 . . ?
C85 C32 H32C 109.5 . . ?
C6 C34 H34 119.2 . . ?
C166 C34 C6 121.6(8) . . ?
C166 C34 H34 119.2 . . ?
O19 C36 C4 117.9(9) . . ?
O19 C36 O41 124.4(8) . . ?
O41 C36 C4 117.7(8) . . ?
C36 O41 Ti8 125.3(5) . . ?
C8 C38 C74 120.2(7) . . ?
C54 C38 C8 118.1(7) . . ?
C54 C38 C74 121.6(7) . . ?
O26 C40 O2 124.2(7) . . ?
O26 C40 C185 120.1(7) . . ?
O2 C40 C185 115.7(7) . . ?
C90 C42 H42 119.3 . . ?
C90 C42 C167 121.3(9) . . ?
C167 C42 H42 119.3 . . ?
O8 C44 C48 118.8(7) . . ?
O86 C44 O8 124.1(8) . . ?
O86 C44 C48 117.0(8) . . ?
C72 C46 C184 122.8(7) . . ?
C72 C46 C228 118.6(7) . . ?
C228 C46 C184 118.6(7) . . ?
C144 C48 C44 118.5(7) . . ?
C165 C48 C44 122.8(8) . . ?
C165 C48 C144 118.7(8) . . ?
C104 C50 H50 120.3 . . ?
C104 C50 C139 119.4(10) . . ?
C139 C50 H50 120.3 . . ?
C58 C52 H52 119.3 . . ?
C178 C52 H52 119.3 . . ?
C178 C52 C58 121.3(8) . . ?
C38 C54 H54 119.7 . . ?
C200 C54 C38 120.6(8) . . ?
C200 C54 H54 119.7 . . ?
C184 O56 Ti1 121.8(5) . . ?
C14 N8 Eu2 118.4(6) . . ?
C14 N8 C245 119.9(8) . . ?
C245 N8 Eu2 121.5(6) . . ?
C52 C58 H58 119.6 . . ?
C156 C58 C52 120.9(7) . . ?
C156 C58 H58 119.6 . . ?
C12 C60 C273 119.9(10) . . ?
C12 C60 C281 119.1(11) . . ?
C273 C60 C281 121.0(10) . . ?
C78 C62 H62 118.6 . . ?
C78 C62 C263 122.8(10) . . ?
C263 C62 H62 118.6 . . ?
C180 N10 Eu3 123.0(6) . . ?
C79 N10 Eu3 119.6(6) . . ?
C79 N10 C180 117.3(8) . . ?
C10 C64 C250 119.0(8) . . ?
C10 C64 C5 120.5(7) . . ?
C250 C64 C5 120.5(8) . . ?
N1 C66 C310 115.3(7) . . ?
N1 C66 C267 121.7(8) . . ?
C267 C66 C310 122.9(8) . . ?
C28 C68 C216 121.7(9) . . ?
C161 C68 C28 116.2(9) . . ?
C161 C68 C216 122.0(9) . . ?
C30 C70 H70 120.1 . . ?
C30 C70 C272 119.8(8) . . ?
C272 C70 H70 120.1 . . ?
C46 C72 H72 120.0 . . ?
C46 C72 C220 119.9(8) . . ?
C220 C72 H72 120.0 . . ?
O9 C74 C38 117.3(7) . . ?
O23 C74 O9 122.8(7) . . ?
O23 C74 C38 119.9(7) . . ?
C148 C76 H76 119.9 . . ?
C87 C76 H76 119.9 . . ?
C87 C76 C148 120.1(10) . . ?
C62 C78 H78 119.0 . . ?
C62 C78 C138 122.0(10) . . ?
C138 C78 H78 119.0 . . ?
C192 O21 Eu1 143.1(5) . . ?
C98 C80 H80 119.7 . . ?
C140 C80 H80 119.7 . . ?
C140 C80 C98 120.7(8) . . ?
C12 C82 H82 119.9 . . ?
C12 C82 C172 120.3(9) . . ?
C172 C82 H82 119.9 . . ?
C132 C84 H84 120.1 . . ?
C132 C84 C97 119.8(9) . . ?
C97 C84 H84 120.1 . . ?
C44 O86 Eu3 150.8(6) . . ?
C164 C88 C211 108.2(8) . . ?
C236 C88 C164 112.5(9) . . ?
C236 C88 C211 102.3(11) . . ?
C307 C88 C164 112.1(9) . . ?
C307 C88 C236 110.4(11) . . ?
C307 C88 C211 111.0(13) . . ?
C42 C90 H90 119.9 . . ?
C142 C90 C42 120.3(9) . . ?
C142 C90 H90 119.9 . . ?
O40 C92 C152 113.8(7) . . ?
O25 C92 O40 126.4(7) . . ?
O25 C92 C152 119.8(7) . . ?
C163 O43 Eu3 133.4(6) . . ?
C104 C94 C175 118.4(11) . . ?
C227 C94 C104 117.8(10) . . ?
C227 C94 C175 123.6(11) . . ?
C5 O11 Eu1 132.5(6) . . ?
C212 N14 Eu1 120.1(6) . . ?
C212 N14 C310 118.1(7) . . ?
C310 N14 Eu1 121.7(6) . . ?
N4 C96 C173 122.0(9) . . ?
N4 C96 C245 115.7(8) . . ?
C173 C96 C245 122.3(9) . . ?
C291 O45 Ti3 132.7(5) . . ?
C26 N15 Eu4 120.6(6) . . ?
C37 N15 Eu4 118.9(6) . . ?
C37 N15 C26 119.9(8) . . ?
C6 C98 C118 121.2(8) . . ?
C80 C98 C6 118.2(8) . . ?
C80 C98 C118 120.6(7) . . ?
H10D C100 H10E 109.5 . . ?
H10D C100 H10F 109.5 . . ?
H10E C100 H10F 109.5 . . ?
C174 C100 H10D 109.5 . . ?
C174 C100 H10E 109.5 . . ?
C174 C100 H10F 109.5 . . ?
H10A C102 H10B 109.5 . . ?
H10A C102 H10C 109.5 . . ?
H10B C102 H10C 109.5 . . ?
C287 C102 H10A 109.5 . . ?
C287 C102 H10B 109.5 . . ?
C287 C102 H10C 109.5 . . ?
C74 O23 Eu4 143.2(5) . . ?
C50 C104 C94 121.4(10) . . ?
C50 C104 H104 119.3 . . ?
C94 C104 H104 119.3 . . ?
C18 C106 H106 119.5 . . ?
C280 C106 C18 121.0(8) . . ?
C280 C106 H106 119.5 . . ?
O12 C108 C170 116.2(7) . . ?
O126 C108 O12 124.2(7) . . ?
O126 C108 C170 119.6(7) . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C198 C110 H11A 109.5 . . ?
C198 C110 H11B 109.5 . . ?
C198 C110 H11C 109.5 . . ?
H11D C112 H11E 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C226 C112 H11D 109.5 . . ?
C226 C112 H11E 109.5 . . ?
C226 C112 H11F 109.5 . . ?
H11G C114 H11H 109.5 . . ?
H11G C114 H11I 109.5 . . ?
H11H C114 H11I 109.5 . . ?
C23 C114 H11G 109.5 . . ?
C23 C114 H11H 109.5 . . ?
C23 C114 H11I 109.5 . . ?
O18 C116 O15 124.5(8) . . ?
O18 C116 C234 118.3(8) . . ?
O15 C116 C234 117.1(8) . . ?
O6 C118 O17 123.0(7) . . ?
O6 C118 C98 118.9(7) . . ?
O17 C118 C98 118.0(7) . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C27 C120 H12A 109.5 . . ?
C27 C120 H12B 109.5 . . ?
C27 C120 H12C 109.5 . . ?
H12D C122 H12E 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C15 C122 H12D 109.5 . . ?
C15 C122 H12E 109.5 . . ?
C15 C122 H12F 109.5 . . ?
C8 C124 H124 119.0 . . ?
C109 C124 C8 121.9(8) . . ?
C109 C124 H124 119.0 . . ?
C108 O126 Ti4 126.8(5) . . ?
H12G C128 H12H 109.5 . . ?
H12G C128 H12I 109.5 . . ?
H12H C128 H12I 109.5 . . ?
C204 C128 H12G 109.5 . . ?
C204 C128 H12H 109.5 . . ?
C204 C128 H12I 109.5 . . ?
C144 C130 H130 119.3 . . ?
C144 C130 C208 121.4(9) . . ?
C208 C130 H130 119.3 . . ?
C84 C132 H132 119.2 . . ?
C84 C132 C180 121.6(9) . . ?
C180 C132 H132 119.2 . . ?
O28 C136 C156 115.7(7) . . ?
O34 C136 O28 124.7(7) . . ?
O34 C136 C156 119.5(7) . . ?
C78 C138 C291 120.6(8) . . ?
C159 C138 C78 117.2(8) . . ?
C159 C138 C291 122.2(8) . . ?
C80 C140 H140 118.9 . . ?
C80 C140 C166 122.3(8) . . ?
C166 C140 H140 118.9 . . ?
C90 C142 C192 121.1(8) . . ?
C90 C142 C169 120.3(8) . . ?
C169 C142 C192 118.6(8) . . ?
C48 C144 H144 120.0 . . ?
C130 C144 C48 120.0(8) . . ?
C130 C144 H144 120.0 . . ?
N1 C146 H146 118.7 . . ?
N1 C146 C223 122.7(8) . . ?
C223 C146 H146 118.7 . . ?
C22 C148 C163 120.8(8) . . ?
C76 C148 C22 119.0(9) . . ?
C76 C148 C163 120.0(9) . . ?
H15D C150 H15E 109.5 . . ?
H15D C150 H15F 109.5 . . ?
H15E C150 H15F 109.5 . . ?
C232 C150 H15D 109.5 . . ?
C232 C150 H15E 109.5 . . ?
C232 C150 H15F 109.5 . . ?
C16 C152 C92 120.6(7) . . ?
C16 C152 C115 118.5(7) . . ?
C115 C152 C92 120.8(7) . . ?
O10 C154 C280 118.7(7) . . ?
O33 C154 O10 125.5(7) . . ?
O33 C154 C280 115.8(7) . . ?
C58 C156 C136 120.9(7) . . ?
C58 C156 C225 118.3(7) . . ?
C225 C156 C136 120.8(7) . . ?
C250 C158 H158 119.5 . . ?
C250 C158 C95 120.9(9) . . ?
C95 C158 H158 119.5 . . ?
C244 C160 C201 121.7(11) . . ?
C87 C160 C244 117.3(10) . . ?
C87 C160 C201 120.9(11) . . ?
C93 C162 H162 119.3 . . ?
C93 C162 C107 121.4(9) . . ?
C107 C162 H162 119.3 . . ?
C30 C164 C88 123.5(8) . . ?
C30 C164 C41 116.5(8) . . ?
C41 C164 C88 120.0(9) . . ?
C34 C166 C140 116.9(8) . . ?
C34 C166 C191 123.5(8) . . ?
C140 C166 C191 119.3(8) . . ?
C16 C168 H168 119.1 . . ?
C16 C168 C294 121.8(7) . . ?
C294 C168 H168 119.1 . . ?
C286 C170 C108 120.9(7) . . ?
C147 C170 C108 120.6(7) . . ?
C147 C170 C286 118.5(7) . . ?
C82 C172 C1 119.6(8) . . ?
C195 C172 C1 120.2(8) . . ?
C195 C172 C82 120.1(9) . . ?
C100 C174 C39 107.8(9) . . ?
C230 C174 C100 110.5(9) . . ?
C230 C174 C39 107.8(7) . . ?
C252 C174 C100 108.0(8) . . ?
C252 C174 C230 113.4(8) . . ?
C252 C174 C39 109.3(9) . . ?
N4 C176 H176 117.6 . . ?
N4 C176 C214 124.9(8) . . ?
C214 C176 H176 117.6 . . ?
C52 C178 C198 123.3(8) . . ?
C52 C178 C298 117.5(7) . . ?
C298 C178 C198 119.1(7) . . ?
N10 C180 C132 120.0(9) . . ?
N10 C180 C107 115.4(8) . . ?
C132 C180 C107 124.6(9) . . ?
O38 C182 O31 125.2(8) . . ?
O38 C182 C21 119.5(8) . . ?
O31 C182 C21 115.3(8) . . ?
O49 C184 C46 116.3(7) . . ?
O49 C184 O56 124.3(6) . . ?
O56 C184 C46 119.4(7) . . ?
C276 C186 H186 119.0 . . ?
C282 C186 H186 119.0 . . ?
C282 C186 C276 122.0(10) . . ?
H18A C188 H18B 109.5 . . ?
H18A C188 H18C 109.5 . . ?
H18B C188 H18C 109.5 . . ?
C216 C188 H18A 109.5 . . ?
C216 C188 H18B 109.5 . . ?
C216 C188 H18C 109.5 . . ?
C157 O47 Ti2 122.6(5) . . ?
O29 C192 C142 116.2(8) . . ?
O21 C192 O29 124.9(8) . . ?
O21 C192 C142 118.9(8) . . ?
C177 C194 H194 120.0 . . ?
C177 C194 C77 120.1(11) . . ?
C77 C194 H194 120.0 . . ?
C161 C196 H196 120.1 . . ?
C161 C196 C185 119.9(9) . . ?
C185 C196 H196 120.1 . . ?
C110 C198 C178 109.5(7) . . ?
C110 C198 C81 109.5(8) . . ?
C178 C198 C81 111.8(7) . . ?
C284 C198 C110 108.4(7) . . ?
C284 C198 C178 110.2(7) . . ?
C284 C198 C81 107.4(8) . . ?
C54 C200 H200 119.5 . . ?
C54 C200 C109 121.1(8) . . ?
C109 C200 H200 119.5 . . ?
H20F C202 H20G 109.5 . . ?
H20F C202 H20H 109.5 . . ?
H20G C202 H20H 109.5 . . ?
C274 C202 H20F 109.5 . . ?
C274 C202 H20G 109.5 . . ?
C274 C202 H20H 109.5 . . ?
C128 C204 C167 108.2(8) . . ?
C270 C204 C128 108.0(9) . . ?
C270 C204 C167 108.8(8) . . ?
C257 C204 C128 112.1(10) . . ?
C257 C204 C270 107.4(9) . . ?
C257 C204 C167 112.2(9) . . ?
H20A C206 H20B 111.4 . . ?
C171 C206 H20A 114.3 . . ?
C171 C206 H20B 114.3 . . ?
C277 C206 H20A 114.3 . . ?
C277 C206 H20B 114.3 . . ?
C277 C206 C171 86.3(7) . . ?
C130 C208 C15 119.5(9) . . ?
C235 C208 C130 118.4(9) . . ?
C235 C208 C15 122.1(9) . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
C216 C210 H21A 109.5 . . ?
C216 C210 H21B 109.5 . . ?
C216 C210 H21C 109.5 . . ?
N14 C212 H212 117.8 . . ?
N14 C212 C268 124.3(9) . . ?
C268 C212 H212 117.8 . . ?
C176 C214 C285 124.9(8) . . ?
C293 C214 C176 118.4(9) . . ?
C293 C214 C285 116.6(8) . . ?
Ti6 O3 Eu3 122.2(3) . . ?
Ti6 O3 Ti8 97.7(3) . . ?
Ti8 O3 Eu3 124.9(3) . . ?
C68 C216 C188 113.4(10) . . ?
C68 C216 C210 111.3(9) . . ?
C68 C216 C71 108.5(9) . . ?
C188 C216 C71 107.4(9) . . ?
C210 C216 C188 109.8(10) . . ?
C210 C216 C71 106.2(10) . . ?
H21G C218 H21H 109.5 . . ?
H21G C218 H21I 109.5 . . ?
H21H C218 H21I 109.5 . . ?
C312 C218 H21G 109.5 . . ?
C312 C218 H21H 109.5 . . ?
C312 C218 H21I 109.5 . . ?
C24 C220 H220 119.1 . . ?
C72 C220 C24 121.8(8) . . ?
C72 C220 H220 119.1 . . ?
C227 C222 H222 120.0 . . ?
C227 C222 C139 120.0(10) . . ?
C139 C222 H222 120.0 . . ?
C272 C224 H224 119.1 . . ?
C272 C224 C41 121.7(8) . . ?
C41 C224 H224 119.1 . . ?
C112 C226 C241 111.7(9) . . ?
C112 C226 C259 109.1(10) . . ?
C241 C226 C259 108.5(8) . . ?
C295 C226 C112 107.9(9) . . ?
C295 C226 C241 110.9(8) . . ?
C295 C226 C259 108.7(11) . . ?
C46 C228 H228 119.4 . . ?
C125 C228 C46 121.1(8) . . ?
C125 C228 H228 119.4 . . ?
C258 C230 C174 120.1(8) . . ?
C2 C230 C174 123.8(8) . . ?
C2 C230 C258 116.1(8) . . ?
C150 C232 C209 107.1(9) . . ?
C150 C232 C109 108.8(8) . . ?
C209 C232 C109 112.3(8) . . ?
C255 C232 C150 109.3(9) . . ?
C255 C232 C209 110.3(10) . . ?
C255 C232 C109 108.9(8) . . ?
C137 C234 C116 121.1(8) . . ?
C137 C234 C299 118.2(9) . . ?
C299 C234 C116 120.5(9) . . ?
C88 C236 H23A 109.5 . . ?
C88 C236 H23B 109.5 . . ?
C88 C236 H23C 109.5 . . ?
H23A C236 H23B 109.5 . . ?
H23A C236 H23C 109.5 . . ?
H23B C236 H23C 109.5 . . ?
C262 C238 C65 101.5(12) . . ?
C262 C238 C263 110.5(10) . . ?
C43 C238 C262 116.9(13) . . ?
C43 C238 C65 105.6(12) . . ?
C43 C238 C263 110.2(11) . . ?
C263 C238 C65 111.6(11) . . ?
H24A C240 H24B 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
C312 C240 H24A 109.5 . . ?
C312 C240 H24B 109.5 . . ?
C312 C240 H24C 109.5 . . ?
C93 C242 C171 117.0(8) . . ?
C271 C242 C171 126.3(8) . . ?
C271 C242 C93 116.7(8) . . ?
C22 C244 C160 122.2(10) . . ?
C22 C244 H244 118.9 . . ?
C160 C244 H244 118.9 . . ?
C245 C246 H246 120.5 . . ?
C247 C246 H246 120.5 . . ?
C247 C246 C245 119.1(12) . . ?
C20 C248 H248 118.9 . . ?
C20 C248 C91 122.2(8) . . ?
C91 C248 H248 118.9 . . ?
C64 C250 H250 119.3 . . ?
C158 C250 C64 121.5(9) . . ?
C158 C250 H250 119.3 . . ?
C174 C252 H25J 109.5 . . ?
C174 C252 H25K 109.5 . . ?
C174 C252 H25L 109.5 . . ?
H25J C252 H25K 109.5 . . ?
H25J C252 H25L 109.5 . . ?
H25K C252 H25L 109.5 . . ?
C230 C258 H258 119.4 . . ?
C286 C258 C230 121.1(8) . . ?
C286 C258 H258 119.4 . . ?
H26M C260 H26N 109.5 . . ?
H26M C260 H26O 109.5 . . ?
H26N C260 H26O 109.5 . . ?
C274 C260 H26M 109.5 . . ?
C274 C260 H26N 109.5 . . ?
C274 C260 H26O 109.5 . . ?
C238 C262 H26P 109.5 . . ?
C238 C262 H26Q 109.5 . . ?
C238 C262 H26R 109.5 . . ?
H26P C262 H26Q 109.5 . . ?
H26P C262 H26R 109.5 . . ?
H26Q C262 H26R 109.5 . . ?
H26A C264 H26B 109.5 . . ?
H26A C264 H26C 109.5 . . ?
H26B C264 H26C 109.5 . . ?
C287 C264 H26A 109.5 . . ?
C287 C264 H26B 109.5 . . ?
C287 C264 H26C 109.5 . . ?
C229 C266 C17 85.2(7) . . ?
C251 C266 C229 117.3(10) . . ?
C251 C266 C17 117.5(8) . . ?
C251 C266 C279 110.1(9) . . ?
C279 C266 C229 113.9(9) . . ?
C279 C266 C17 110.9(9) . . ?
C212 C268 H268 121.2 . . ?
C212 C268 C33 117.7(9) . . ?
C33 C268 H268 121.2 . . ?
C204 C270 H27A 109.5 . . ?
C204 C270 H27B 109.5 . . ?
C204 C270 H27C 109.5 . . ?
H27A C270 H27B 109.5 . . ?
H27A C270 H27C 109.5 . . ?
H27B C270 H27C 109.5 . . ?
C70 C272 C157 121.9(8) . . ?
C224 C272 C70 118.3(8) . . ?
C224 C272 C157 119.8(7) . . ?
C202 C274 C260 109.4(8) . . ?
C202 C274 C294 109.6(7) . . ?
C202 C274 C121 110.3(7) . . ?
C294 C274 C260 111.9(7) . . ?
C294 C274 C121 108.1(7) . . ?
C121 C274 C260 107.5(8) . . ?
C186 C276 C13 121.0(10) . . ?
C186 C276 C303 116.3(9) . . ?
C303 C276 C13 122.6(10) . . ?
H27G C278 H27H 107.9 . . ?
C293 C278 H27G 109.3 . . ?
C293 C278 H27H 109.3 . . ?
C155 C278 H27G 109.3 . . ?
C155 C278 H27H 109.3 . . ?
C155 C278 C293 111.7(9) . . ?
C106 C280 C154 118.9(7) . . ?
C106 C280 C207 119.4(7) . . ?
C207 C280 C154 121.8(7) . . ?
C186 C282 H282 119.1 . . ?
C186 C282 C21 121.7(9) . . ?
C21 C282 H282 119.1 . . ?
C198 C284 H28I 109.5 . . ?
C198 C284 H28J 109.5 . . ?
C198 C284 H28K 109.5 . . ?
H28I C284 H28J 109.5 . . ?
H28I C284 H28K 109.5 . . ?
H28J C284 H28K 109.5 . . ?
C170 C286 H286 119.3 . . ?
C258 C286 C170 121.4(8) . . ?
C258 C286 H286 119.3 . . ?
H28A C288 H28B 109.5 . . ?
H28A C288 H28C 109.5 . . ?
H28B C288 H28C 109.5 . . ?
C13 C288 H28A 109.5 . . ?
C13 C288 H28B 109.5 . . ?
C13 C288 H28C 109.5 . . ?
C207 C290 H290 119.0 . . ?
C241 C290 H290 119.0 . . ?
C241 C290 C207 122.0(9) . . ?
C91 C292 C308 120.9(7) . . ?
C91 C292 C63 119.7(7) . . ?
C63 C292 C308 119.4(7) . . ?
C168 C294 C274 119.9(7) . . ?
C168 C294 C7 117.1(7) . . ?
C7 C294 C274 123.0(7) . . ?
H29A C296 H29B 109.5 . . ?
H29A C296 H29C 109.5 . . ?
H29B C296 H29C 109.5 . . ?
C199 C296 H29A 109.5 . . ?
C199 C296 H29B 109.5 . . ?
C199 C296 H29C 109.5 . . ?
C178 C298 H298 119.4 . . ?
C225 C298 C178 121.3(7) . . ?
C225 C298 H298 119.4 . . ?
C55 C300 H300 118.9 . . ?
C299 C300 H300 118.9 . . ?
C299 C300 C55 122.2(10) . . ?
C20 C302 H302 119.2 . . ?
C63 C302 C20 121.6(8) . . ?
C63 C302 H302 119.2 . . ?
H30F C304 H30G 109.5 . . ?
H30F C304 H30H 109.5 . . ?
H30G C304 H30H 109.5 . . ?
C85 C304 H30F 109.5 . . ?
C85 C304 H30G 109.5 . . ?
C85 C304 H30H 109.5 . . ?
C223 C306 C129 116.8(8) . . ?
C267 C306 C223 118.8(8) . . ?
C267 C306 C129 124.4(8) . . ?
O14 C308 O24 126.1(7) . . ?
O14 C308 C292 117.6(7) . . ?
O24 C308 C292 116.3(6) . . ?
N14 C310 C66 117.3(8) . . ?
N14 C310 C231 121.7(8) . . ?
C231 C310 C66 120.9(8) . . ?
C218 C312 C20 108.2(7) . . ?
C240 C312 C20 111.6(8) . . ?
C240 C312 C218 108.5(9) . . ?
C240 C312 C113 109.2(9) . . ?
C113 C312 C20 109.3(8) . . ?
C113 C312 C218 110.0(8) . . ?
C174 C39 H39A 109.5 . . ?
C174 C39 H39B 109.5 . . ?
C174 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O36 C157 O47 123.4(8) . . ?
O36 C157 C272 116.9(8) . . ?
O47 C157 C272 119.7(7) . . ?
N10 C79 H79 117.7 . . ?
N10 C79 C97 124.5(9) . . ?
C97 C79 H79 117.7 . . ?
C138 C159 H159 119.9 . . ?
C138 C159 C297 120.1(9) . . ?
C297 C159 H159 119.9 . . ?
O44 C5 C64 117.9(7) . . ?
O11 C5 O44 125.5(8) . . ?
O11 C5 C64 116.6(8) . . ?
C68 C161 C196 121.8(9) . . ?
C68 C161 H161 119.1 . . ?
C196 C161 H161 119.1 . . ?
C198 C81 H81A 109.5 . . ?
C198 C81 H81B 109.5 . . ?
C198 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
O27 C163 C148 117.4(8) . . ?
O43 C163 O27 124.1(8) . . ?
O43 C163 C148 118.5(8) . . ?
C164 C41 H41 119.6 . . ?
C224 C41 C164 120.9(8) . . ?
C224 C41 H41 119.6 . . ?
C48 C165 H165 119.7 . . ?
C48 C165 C235 120.6(9) . . ?
C235 C165 H165 119.7 . . ?
C99 C83 C123 117.5(8) . . ?
C99 C83 C73 123.1(8) . . ?
C123 C83 C73 119.4(9) . . ?
C42 C167 C204 122.1(9) . . ?
C42 C167 C197 118.1(8) . . ?
C197 C167 C204 119.7(8) . . ?
C282 C21 C182 120.9(8) . . ?
C282 C21 C131 116.9(8) . . ?
C131 C21 C182 122.2(8) . . ?
C142 C169 H169 120.3 . . ?
C142 C169 C197 119.4(9) . . ?
C197 C169 H169 120.3 . . ?
C32 C85 C24 110.3(8) . . ?
C32 C85 C19 108.7(9) . . ?
C304 C85 C24 108.6(8) . . ?
C304 C85 C32 110.0(11) . . ?
C304 C85 C19 105.7(11) . . ?
C19 C85 C24 113.4(8) . . ?
C206 C171 H171 117.0 . . ?
C206 C171 C287 85.7(7) . . ?
C242 C171 C206 105.1(9) . . ?
C242 C171 H171 117.0 . . ?
C242 C171 C287 110.3(8) . . ?
C287 C171 H171 117.0 . . ?
C238 C43 H43A 109.5 . . ?
C238 C43 H43B 109.5 . . ?
C238 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C96 C173 H173 119.8 . . ?
C96 C173 C293 120.4(9) . . ?
C293 C173 H173 119.8 . . ?
C76 C87 C160 121.1(11) . . ?
C76 C87 H87 119.4 . . ?
C160 C87 H87 119.4 . . ?
C94 C175 C143 106.4(12) . . ?
C187 C175 C94 111.3(12) . . ?
C187 C175 C265 108.2(14) . . ?
C187 C175 C143 113.6(13) . . ?
C265 C175 C94 108.7(11) . . ?
C265 C175 C143 108.5(12) . . ?
H11J C11 H11K 109.5 . . ?
H11J C11 H11L 109.5 . . ?
H11K C11 H11L 109.5 . . ?
C23 C11 H11J 109.5 . . ?
C23 C11 H11K 109.5 . . ?
C23 C11 H11L 109.5 . . ?
C4 C177 C194 121.5(11) . . ?
C4 C177 H177 119.2 . . ?
C194 C177 H177 119.2 . . ?
H45A C45 H45B 111.5 . . ?
C285 C45 H45A 114.4 . . ?
C285 C45 H45B 114.4 . . ?
C285 C45 C155 85.7(8) . . ?
C155 C45 H45A 114.4 . . ?
C155 C45 H45B 114.4 . . ?
C248 C91 H91 120.1 . . ?
C292 C91 C248 119.8(8) . . ?
C292 C91 H91 120.1 . . ?
O30 C183 O42 125.2(8) . . ?
O30 C183 C139 117.1(8) . . ?
O42 C183 C139 117.7(8) . . ?
C114 C23 C285 118.4(8) . . ?
C114 C23 C155 116.3(10) . . ?
C11 C23 C114 110.9(10) . . ?
C11 C23 C285 111.2(9) . . ?
C11 C23 C155 112.3(9) . . ?
C155 C23 C285 85.7(8) . . ?
C196 C185 C40 121.3(8) . . ?
C57 C185 C40 120.3(8) . . ?
C57 C185 C196 118.2(8) . . ?
C162 C93 C242 117.3(8) . . ?
C162 C93 C309 125.4(9) . . ?
C242 C93 C309 117.3(9) . . ?
C175 C187 H18D 109.5 . . ?
C175 C187 H18E 109.5 . . ?
C175 C187 H18F 109.5 . . ?
H18D C187 H18E 109.5 . . ?
H18D C187 H18F 109.5 . . ?
H18E C187 H18F 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C191 C47 H47A 109.5 . . ?
C191 C47 H47B 109.5 . . ?
C191 C47 H47C 109.5 . . ?
C158 C95 C27 124.2(8) . . ?
C158 C95 C243 117.4(8) . . ?
C243 C95 C27 118.3(9) . . ?
C47 C191 C166 111.6(8) . . ?
C47 C191 C215 107.5(9) . . ?
C215 C191 C166 108.5(7) . . ?
C275 C191 C166 110.7(8) . . ?
C275 C191 C47 109.5(8) . . ?
C275 C191 C215 109.0(9) . . ?
C14 C3 H3 120.7 . . ?
C14 C3 C247 118.6(12) . . ?
C247 C3 H3 120.7 . . ?
C84 C97 C79 116.7(9) . . ?
C84 C97 H97 121.7 . . ?
C79 C97 H97 121.7 . . ?
C172 C195 H195 119.9 . . ?
C172 C195 C273 120.2(9) . . ?
C273 C195 H195 119.9 . . ?
C103 N11 Eu4 118.6(6) . . ?
C103 N11 C221 118.4(8) . . ?
C221 N11 Eu4 121.9(5) . . ?
C167 C197 C169 120.1(9) . . ?
C167 C197 H197 119.9 . . ?
C169 C197 H197 120.0 . . ?
C83 C99 H99 119.8 . . ?
C83 C99 C103 120.5(8) . . ?
C103 C99 H99 119.8 . . ?
C296 C199 C53 107.3(10) . . ?
C55 C199 C296 112.3(11) . . ?
C55 C199 C53 108.7(9) . . ?
C135 C199 C296 109.6(11) . . ?
C135 C199 C53 105.9(12) . . ?
C135 C199 C55 112.8(10) . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C13 C25 H25A 109.5 . . ?
C13 C25 H25B 109.5 . . ?
C13 C25 H25C 109.5 . . ?
C160 C201 C31 107.2(12) . . ?
C160 C201 C261 109.0(12) . . ?
C160 C201 C269 110.8(12) . . ?
C31 C201 C269 108.8(12) . . ?
C261 C201 C31 116.8(15) . . ?
C261 C201 C269 104.3(13) . . ?
H10G C101 H10H 109.5 . . ?
H10G C101 H10I 109.5 . . ?
H10H C101 H10I 109.5 . . ?
C281 C101 H10G 109.5 . . ?
C281 C101 H10H 109.5 . . ?
C281 C101 H10I 109.5 . . ?
H20C C203 H20D 109.5 . . ?
H20C C203 H20E 109.5 . . ?
H20D C203 H20E 109.5 . . ?
C145 C203 H20C 109.5 . . ?
C145 C203 H20D 109.5 . . ?
C145 C203 H20E 109.5 . . ?
N11 C103 C26 116.9(8) . . ?
N11 C103 C99 121.5(9) . . ?
C99 C103 C26 121.5(8) . . ?
C280 C207 C290 119.2(8) . . ?
C280 C207 H207 120.4 . . ?
C290 C207 H207 120.4 . . ?
C276 C13 C25 112.8(10) . . ?
C276 C13 C153 109.6(10) . . ?
C288 C13 C276 110.2(9) . . ?
C288 C13 C25 109.4(11) . . ?
C288 C13 C153 108.6(11) . . ?
C153 C13 C25 106.0(12) . . ?
C232 C209 H20I 109.5 . . ?
C232 C209 H20J 109.5 . . ?
C232 C209 H20K 109.5 . . ?
H20I C209 H20J 109.5 . . ?
H20I C209 H20K 109.5 . . ?
H20J C209 H20K 109.5 . . ?
C88 C211 H21D 109.5 . . ?
C88 C211 H21E 109.5 . . ?
C88 C211 H21F 109.5 . . ?
H21D C211 H21E 109.5 . . ?
H21D C211 H21F 109.5 . . ?
H21E C211 H21F 109.5 . . ?
C199 C53 H53A 109.5 . . ?
C199 C53 H53B 109.5 . . ?
C199 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C123 C213 H213 116.7 . . ?
C123 C213 C9 110.6(8) . . ?
C123 C213 C305 106.0(8) . . ?
C9 C213 H213 116.7 . . ?
C305 C213 H213 116.7 . . ?
C305 C213 C9 85.8(7) . . ?
C162 C107 C180 122.1(9) . . ?
N3 C107 C162 121.3(9) . . ?
N3 C107 C180 116.5(8) . . ?
C191 C215 H21J 109.5 . . ?
C191 C215 H21K 109.5 . . ?
C191 C215 H21L 109.5 . . ?
H21J C215 H21K 109.5 . . ?
H21J C215 H21L 109.5 . . ?
H21K C215 H21L 109.5 . . ?
C120 C27 C95 109.1(9) . . ?
C120 C27 C133 108.1(9) . . ?
C120 C27 C283 110.8(11) . . ?
C95 C27 C133 111.6(9) . . ?
C95 C27 C283 110.0(8) . . ?
C133 C27 C283 107.2(10) . . ?
C55 C217 H217 119.1 . . ?
C55 C217 C137 121.8(10) . . ?
C137 C217 H217 119.1 . . ?
C124 C109 C200 117.8(8) . . ?
C124 C109 C232 120.2(8) . . ?
C200 C109 C232 122.0(8) . . ?
C249 C219 H219 122.5 . . ?
C37 C219 H219 122.5 . . ?
C37 C219 C249 114.9(11) . . ?
C300 C55 C199 121.0(10) . . ?
C217 C55 C300 116.5(9) . . ?
C217 C55 C199 122.5(10) . . ?
N11 C221 H221 118.5 . . ?
N11 C221 C123 123.0(8) . . ?
C123 C221 H221 118.5 . . ?
C146 C223 C306 118.2(8) . . ?
C146 C223 C17 123.6(8) . . ?
C306 C223 C17 117.9(8) . . ?
C294 C7 H7 119.4 . . ?
C115 C7 C294 121.3(8) . . ?
C115 C7 H7 119.4 . . ?
C156 C225 H225 119.7 . . ?
C298 C225 C156 120.6(7) . . ?
C298 C225 H225 119.7 . . ?
C312 C113 H11M 109.5 . . ?
C312 C113 H11N 109.5 . . ?
C312 C113 H11O 109.5 . . ?
H11M C113 H11N 109.5 . . ?
H11M C113 H11O 109.5 . . ?
H11N C113 H11O 109.5 . . ?
C94 C227 H227 118.8 . . ?
C222 C227 C94 122.4(11) . . ?
C222 C227 H227 118.8 . . ?
C28 C57 C185 120.4(8) . . ?
C28 C57 H57 119.8 . . ?
C185 C57 H57 119.8 . . ?
C266 C229 H229 115.4 . . ?
C129 C229 C266 111.1(8) . . ?
C129 C229 H229 115.4 . . ?
C129 C229 C289 109.4(8) . . ?
C289 C229 C266 86.6(8) . . ?
C289 C229 H229 115.4 . . ?
C152 C115 H115 119.5 . . ?
C7 C115 C152 121.0(7) . . ?
C7 C115 H115 119.5 . . ?
C310 C231 H231 120.8 . . ?
C33 C231 C310 118.4(8) . . ?
C33 C231 H231 120.8 . . ?
H29D C29 H29E 109.5 . . ?
H29D C29 H29F 109.5 . . ?
H29E C29 H29F 109.5 . . ?
C145 C29 H29D 109.5 . . ?
C145 C29 H29E 109.5 . . ?
C145 C29 H29F 109.5 . . ?
C208 C235 C165 120.9(9) . . ?
C208 C235 H235 119.6 . . ?
C165 C235 H235 119.6 . . ?
C122 C15 C208 108.7(9) . . ?
C122 C15 C61 107.2(12) . . ?
C208 C15 C61 108.4(9) . . ?
C67 C15 C122 110.2(9) . . ?
C67 C15 C208 114.4(10) . . ?
C67 C15 C61 107.7(12) . . ?
C18 C241 C226 118.1(8) . . ?
C290 C241 C18 117.9(7) . . ?
C290 C241 C226 124.0(9) . . ?
C274 C121 H12L 109.5 . . ?
C274 C121 H12M 109.5 . . ?
C274 C121 H12N 109.5 . . ?
H12L C121 H12M 109.5 . . ?
H12L C121 H12N 109.5 . . ?
H12M C121 H12N 109.5 . . ?
C10 C243 C95 120.0(9) . . ?
C10 C243 H243 120.0 . . ?
C95 C243 H243 120.0 . . ?
C15 C61 H61A 109.5 . . ?
C15 C61 H61B 109.5 . . ?
C15 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N8 C245 C96 117.6(8) . . ?
N8 C245 C246 120.8(10) . . ?
C246 C245 C96 121.7(10) . . ?
C83 C123 C213 116.3(8) . . ?
C221 C123 C83 118.9(8) . . ?
C221 C123 C213 124.8(8) . . ?
C246 C247 C3 120.3(11) . . ?
C246 C247 H247 119.8 . . ?
C3 C247 H247 119.8 . . ?
C201 C31 H31A 109.5 . . ?
C201 C31 H31B 109.5 . . ?
C201 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C219 C249 H249 119.1 . . ?
C141 C249 C219 121.8(11) . . ?
C141 C249 H249 119.1 . . ?
C24 C125 C228 121.5(8) . . ?
C24 C125 H125 119.2 . . ?
C228 C125 H125 119.2 . . ?
C266 C251 H25D 109.5 . . ?
C266 C251 H25E 109.5 . . ?
C266 C251 H25F 109.5 . . ?
H25D C251 H25E 109.5 . . ?
H25D C251 H25F 109.5 . . ?
H25E C251 H25F 109.5 . . ?
C292 C63 H63 120.2 . . ?
C302 C63 C292 119.5(8) . . ?
C302 C63 H63 120.2 . . ?
H25M C253 H25N 109.5 . . ?
H25M C253 H25O 109.5 . . ?
H25N C253 H25O 109.5 . . ?
C9 C253 H25M 109.5 . . ?
C9 C253 H25N 109.5 . . ?
C9 C253 H25O 109.5 . . ?
H12O C127 H12P 109.5 . . ?
H12O C127 H12Q 109.5 . . ?
H12P C127 H12Q 109.5 . . ?
C281 C127 H12O 109.5 . . ?
C281 C127 H12P 109.5 . . ?
C281 C127 H12Q 109.5 . . ?
C232 C255 H25P 109.5 . . ?
C232 C255 H25Q 109.5 . . ?
C232 C255 H25R 109.5 . . ?
H25P C255 H25Q 109.5 . . ?
H25P C255 H25R 109.5 . . ?
H25Q C255 H25R 109.5 . . ?
C230 C2 H2 118.8 . . ?
C147 C2 C230 122.4(8) . . ?
C147 C2 H2 118.8 . . ?
C204 C257 H25G 109.5 . . ?
C204 C257 H25H 109.5 . . ?
C204 C257 H25I 109.5 . . ?
H25G C257 H25H 109.5 . . ?
H25G C257 H25I 109.5 . . ?
H25H C257 H25I 109.5 . . ?
C306 C129 H12J 109.3 . . ?
C306 C129 H12K 109.3 . . ?
C229 C129 C306 111.7(8) . . ?
C229 C129 H12J 109.3 . . ?
C229 C129 H12K 109.3 . . ?
H12J C129 H12K 107.9 . . ?
C226 C259 H25S 109.5 . . ?
C226 C259 H25T 109.5 . . ?
C226 C259 H25U 109.5 . . ?
H25S C259 H25T 109.5 . . ?
H25S C259 H25U 109.5 . . ?
H25T C259 H25U 109.5 . . ?
C238 C65 H65A 109.5 . . ?
C238 C65 H65B 109.5 . . ?
C238 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C201 C261 H26D 109.5 . . ?
C201 C261 H26E 109.5 . . ?
C201 C261 H26F 109.5 . . ?
H26D C261 H26E 109.5 . . ?
H26D C261 H26F 109.5 . . ?
H26E C261 H26F 109.5 . . ?
C21 C131 H131 119.6 . . ?
C21 C131 C303 120.8(10) . . ?
C303 C131 H131 119.6 . . ?
C62 C263 C238 123.6(11) . . ?
C62 C263 C297 115.8(9) . . ?
C297 C263 C238 120.7(11) . . ?
C268 C33 C231 119.7(9) . . ?
C268 C33 H33 120.1 . . ?
C231 C33 H33 120.1 . . ?
C175 C265 H26G 109.5 . . ?
C175 C265 H26H 109.5 . . ?
C175 C265 H26I 109.5 . . ?
H26G C265 H26H 109.5 . . ?
H26G C265 H26I 109.5 . . ?
H26H C265 H26I 109.5 . . ?
C27 C133 H13A 109.5 . . ?
C27 C133 H13B 109.5 . . ?
C27 C133 H13C 109.5 . . ?
H13A C133 H13B 109.5 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
C66 C267 H267 119.9 . . ?
C306 C267 C66 120.2(8) . . ?
C306 C267 H267 119.9 . . ?
C15 C67 H67A 109.5 . . ?
C15 C67 H67B 109.5 . . ?
C15 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C107 N3 Eu3 120.7(6) . . ?
C271 N3 Eu3 121.1(6) . . ?
C271 N3 C107 117.3(8) . . ?
C201 C269 H26J 109.5 . . ?
C201 C269 H26K 109.5 . . ?
C201 C269 H26L 109.5 . . ?
H26J C269 H26K 109.5 . . ?
H26J C269 H26L 109.5 . . ?
H26K C269 H26L 109.5 . . ?
C199 C135 H13D 109.5 . . ?
C199 C135 H13E 109.5 . . ?
C199 C135 H13F 109.5 . . ?
H13D C135 H13E 109.5 . . ?
H13D C135 H13F 109.5 . . ?
H13E C135 H13F 109.5 . . ?
C242 C271 H271 117.1 . . ?
N3 C271 C242 125.7(8) . . ?
N3 C271 H271 117.1 . . ?
C266 C17 H17 116.4 . . ?
C223 C17 C266 110.8(8) . . ?
C223 C17 H17 116.4 . . ?
C223 C17 C289 106.6(8) . . ?
C289 C17 C266 86.1(7) . . ?
C289 C17 H17 116.4 . . ?
C60 C273 C195 119.2(10) . . ?
C60 C273 H273 120.4 . . ?
C195 C273 H273 120.4 . . ?
C234 C137 C217 121.3(9) . . ?
C234 C137 H137 119.3 . . ?
C217 C137 H137 119.3 . . ?
C191 C275 H27I 109.5 . . ?
C191 C275 H27J 109.5 . . ?
C191 C275 H27K 109.5 . . ?
H27I C275 H27J 109.5 . . ?
H27I C275 H27K 109.5 . . ?
H27J C275 H27K 109.5 . . ?
C206 C277 H277 114.9 . . ?
C287 C277 C206 88.2(8) . . ?
C287 C277 H277 114.9 . . ?
C309 C277 C206 108.6(9) . . ?
C309 C277 H277 114.9 . . ?
C309 C277 C287 112.4(8) . . ?
C50 C139 C183 120.3(9) . . ?
C222 C139 C50 118.9(9) . . ?
C222 C139 C183 120.8(8) . . ?
C266 C279 H27D 109.5 . . ?
C266 C279 H27E 109.5 . . ?
C266 C279 H27F 109.5 . . ?
H27D C279 H27E 109.5 . . ?
H27D C279 H27F 109.5 . . ?
H27E C279 H27F 109.5 . . ?
C101 C281 C60 112.9(11) . . ?
C127 C281 C60 108.3(11) . . ?
C127 C281 C101 107.6(12) . . ?
C127 C281 C313 111.2(13) . . ?
C313 C281 C60 109.3(10) . . ?
C313 C281 C101 107.5(12) . . ?
C26 C141 H141 121.2 . . ?
C249 C141 C26 117.7(12) . . ?
C249 C141 H141 121.2 . . ?
C27 C283 H28D 109.5 . . ?
C27 C283 H28E 109.5 . . ?
C27 C283 H28F 109.5 . . ?
H28D C283 H28E 109.5 . . ?
H28D C283 H28F 109.5 . . ?
H28E C283 H28F 109.5 . . ?
C216 C71 H71A 109.5 . . ?
C216 C71 H71B 109.5 . . ?
C216 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C214 C285 C45 106.0(10) . . ?
C214 C285 C23 111.1(8) . . ?
C214 C285 H285 116.4 . . ?
C45 C285 C23 86.7(8) . . ?
C45 C285 H285 116.4 . . ?
C23 C285 H285 116.4 . . ?
C175 C143 H14A 109.5 . . ?
C175 C143 H14B 109.5 . . ?
C175 C143 H14C 109.5 . . ?
H14A C143 H14B 109.5 . . ?
H14A C143 H14C 109.5 . . ?
H14B C143 H14C 109.5 . . ?
C102 C287 C264 109.0(10) . . ?
C102 C287 C171 119.6(9) . . ?
C102 C287 C277 117.4(10) . . ?
C264 C287 C171 111.1(9) . . ?
C264 C287 C277 112.1(8) . . ?
C277 C287 C171 86.1(7) . . ?
C253 C9 C213 118.2(8) . . ?
C253 C9 C301 115.8(10) . . ?
C75 C9 C213 111.8(10) . . ?
C75 C9 C253 110.5(10) . . ?
C75 C9 C301 113.2(9) . . ?
C301 C9 C213 85.3(7) . . ?
C229 C289 C17 87.0(8) . . ?
C229 C289 H28G 114.1 . . ?
C229 C289 H28H 114.1 . . ?
C17 C289 H28G 114.1 . . ?
C17 C289 H28H 114.1 . . ?
H28G C289 H28H 111.3 . . ?
C29 C145 C203 107.4(13) . . ?
C29 C145 C77 110.9(10) . . ?
C29 C145 C311 109.1(16) . . ?
C77 C145 C203 106.5(14) . . ?
C311 C145 C203 111.4(14) . . ?
C311 C145 C77 111.4(12) . . ?
O20 C291 O45 124.1(8) . . ?
O20 C291 C138 119.2(7) . . ?
O45 C291 C138 116.7(7) . . ?
C83 C73 H73A 109.6 . . ?
C83 C73 H73B 109.6 . . ?
H73A C73 H73B 108.1 . . ?
C301 C73 C83 110.4(8) . . ?
C301 C73 H73A 109.6 . . ?
C301 C73 H73B 109.6 . . ?
C214 C293 C278 118.0(9) . . ?
C214 C293 C173 117.1(8) . . ?
C173 C293 C278 124.9(9) . . ?
C170 C147 H147 119.9 . . ?
C2 C147 C170 120.2(8) . . ?
C2 C147 H147 119.9 . . ?
C226 C295 H29G 109.5 . . ?
C226 C295 H29H 109.5 . . ?
C226 C295 H29I 109.5 . . ?
H29G C295 H29H 109.5 . . ?
H29G C295 H29I 109.5 . . ?
H29H C295 H29I 109.5 . . ?
N15 C37 C219 124.6(11) . . ?
N15 C37 H37 117.7 . . ?
C219 C37 H37 117.7 . . ?
C159 C297 H297 119.0 . . ?
C263 C297 C159 122.1(10) . . ?
C263 C297 H297 119.0 . . ?
C4 C149 H149 119.4 . . ?
C4 C149 C151 121.3(11) . . ?
C151 C149 H149 119.4 . . ?
C234 C299 H299 120.0 . . ?
C300 C299 C234 119.9(10) . . ?
C300 C299 H299 120.0 . . ?
C9 C75 H75A 109.5 . . ?
C9 C75 H75B 109.5 . . ?
C9 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C9 C301 H301 115.0 . . ?
C73 C301 C9 112.4(8) . . ?
C73 C301 H301 115.0 . . ?
C73 C301 C305 109.7(8) . . ?
C305 C301 C9 86.5(8) . . ?
C305 C301 H301 115.0 . . ?
C149 C151 H151 120.1 . . ?
C77 C151 C149 119.8(12) . . ?
C77 C151 H151 120.1 . . ?
C276 C303 C131 122.1(10) . . ?
C276 C303 H303 119.0 . . ?
C131 C303 H303 119.0 . . ?
C85 C19 H19A 109.5 . . ?
C85 C19 H19B 109.5 . . ?
C85 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C213 C305 C301 87.4(7) . . ?
C213 C305 H30I 114.1 . . ?
C213 C305 H30J 114.1 . . ?
C301 C305 H30I 114.1 . . ?
C301 C305 H30J 114.1 . . ?
H30I C305 H30J 111.3 . . ?
C13 C153 H15A 109.5 . . ?
C13 C153 H15B 109.5 . . ?
C13 C153 H15C 109.5 . . ?
H15A C153 H15B 109.5 . . ?
H15A C153 H15C 109.5 . . ?
H15B C153 H15C 109.5 . . ?
C88 C307 H30A 109.5 . . ?
C88 C307 H30B 109.5 . . ?
C88 C307 H30C 109.5 . . ?
H30A C307 H30B 109.5 . . ?
H30A C307 H30C 109.5 . . ?
H30B C307 H30C 109.5 . . ?
C194 C77 C145 122.3(12) . . ?
C151 C77 C194 118.4(10) . . ?
C151 C77 C145 119.2(12) . . ?
C93 C309 H30D 109.4 . . ?
C93 C309 H30E 109.4 . . ?
C277 C309 C93 111.4(8) . . ?
C277 C309 H30D 109.4 . . ?
C277 C309 H30E 109.4 . . ?
H30D C309 H30E 108.0 . . ?
C278 C155 C45 108.4(9) . . ?
C278 C155 C23 112.1(8) . . ?
C278 C155 H155 115.3 . . ?
C45 C155 H155 115.3 . . ?
C23 C155 C45 87.1(9) . . ?
C23 C155 H155 115.3 . . ?
C145 C311 H31D 109.5 . . ?
C145 C311 H31E 109.5 . . ?
C145 C311 H31F 109.5 . . ?
H31D C311 H31E 109.5 . . ?
H31D C311 H31F 109.5 . . ?
H31E C311 H31F 109.5 . . ?
C281 C313 H31G 109.5 . . ?
C281 C313 H31H 109.5 . . ?
C281 C313 H31I 109.5 . . ?
H31G C313 H31H 109.5 . . ?
H31G C313 H31I 109.5 . . ?
H31H C313 H31I 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 Ti6 O35 Ti2 -54.8(5) . . . . ?
Eu1 Ti6 O37 Ti8 143.3(5) . . . . ?
Eu1 Ti6 O3 Eu3 105.8(2) . . . . ?
Eu1 Ti6 O3 Ti8 -34.3(2) . . . . ?
Eu1 Ti8 O13 Ti7 59.7(5) . . . . ?
Eu1 Ti8 O37 Ti6 -143.4(4) . . . . ?
Eu1 Ti2 O48 Eu3 -106.2(3) . . . . ?
Eu1 Ti2 O48 Ti7 35.9(2) . . . . ?
Eu1 Ti2 O35 Ti6 54.6(5) . . . . ?
Eu1 Ti7 O48 Eu3 105.3(3) . . . . ?
Eu1 Ti7 O48 Ti2 -36.6(2) . . . . ?
Eu1 Ti7 O13 Ti8 -59.3(5) . . . . ?
Eu1 O18 C116 O15 10.3(13) . . . . ?
Eu1 O18 C116 C234 -167.3(6) . . . . ?
Eu1 N1 C66 C310 18.0(10) . . . . ?
Eu1 N1 C66 C267 -159.1(6) . . . . ?
Eu1 N1 C146 C223 158.8(7) . . . . ?
Eu1 O36 C157 O47 15.4(17) . . . . ?
Eu1 O36 C157 C272 -163.0(8) . . . . ?
Eu1 O21 C192 O29 35.5(14) . . . . ?
Eu1 O21 C192 C142 -143.3(7) . . . . ?
Eu1 O11 C5 O44 1.8(13) . . . . ?
Eu1 O11 C5 C64 -179.9(5) . . . . ?
Eu1 N14 C212 C268 177.8(7) . . . . ?
Eu1 N14 C310 C66 -0.8(10) . . . . ?
Eu1 N14 C310 C231 -178.8(6) . . . . ?
Eu4 Ti1 O32 Ti4 142.5(4) . . . . ?
Eu4 Ti1 O7 Ti5 -57.7(5) . . . . ?
Eu4 Ti1 O39 Eu2 102.8(2) . . . . ?
Eu4 Ti1 O39 Ti4 -34.5(2) . . . . ?
Eu4 Ti4 O22 Ti3 58.1(5) . . . . ?
Eu4 Ti4 O32 Ti1 -142.7(4) . . . . ?
Eu4 Ti5 O46 Eu2 -105.3(2) . . . . ?
Eu4 Ti5 O46 Ti3 36.9(2) . . . . ?
Eu4 Ti5 O7 Ti1 57.2(5) . . . . ?
Eu4 Ti3 O22 Ti4 -57.7(5) . . . . ?
Eu4 Ti3 O46 Eu2 105.4(3) . . . . ?
Eu4 Ti3 O46 Ti5 -36.7(2) . . . . ?
Eu4 O25 C92 O40 9.4(12) . . . . ?
Eu4 O25 C92 C152 -167.6(5) . . . . ?
Eu4 O33 C154 O10 -9.5(17) . . . . ?
Eu4 O33 C154 C280 168.6(7) . . . . ?
Eu4 N15 C37 C219 169.1(10) . . . . ?
Eu4 N11 C103 C26 -14.5(10) . . . . ?
Eu4 N11 C103 C99 166.6(6) . . . . ?
Eu4 N11 C221 C123 -167.2(6) . . . . ?
Eu2 Ti1 O32 Eu4 -105.5(3) . . . . ?
Eu2 Ti1 O32 Ti4 37.0(2) . . . . ?
Eu2 Ti1 O7 Ti5 58.1(5) . . . . ?
Eu2 Ti1 O39 Ti4 -137.3(4) . . . . ?
Eu2 Ti4 O22 Ti3 -57.4(5) . . . . ?
Eu2 Ti4 O32 Eu4 105.8(2) . . . . ?
Eu2 Ti4 O32 Ti1 -36.9(2) . . . . ?
Eu2 Ti5 O46 Ti3 142.1(4) . . . . ?
Eu2 Ti5 O7 Ti1 -58.2(5) . . . . ?
Eu2 Ti3 O22 Ti4 57.8(5) . . . . ?
Eu2 Ti3 O46 Ti5 -142.1(4) . . . . ?
Eu2 O14 C308 O24 36.0(13) . . . . ?
Eu2 O14 C308 C292 -142.7(6) . . . . ?
Eu2 O20 C291 O45 -1.7(11) . . . . ?
Eu2 O20 C291 C138 174.8(5) . . . . ?
Eu2 O34 C136 O28 -14.0(12) . . . . ?
Eu2 O34 C136 C156 165.9(5) . . . . ?
Eu2 N4 C96 C173 -159.4(7) . . . . ?
Eu2 N4 C96 C245 20.2(10) . . . . ?
Eu2 N4 C176 C214 157.9(7) . . . . ?
Eu2 O49 C184 C46 -165.5(7) . . . . ?
Eu2 O49 C184 O56 14.2(16) . . . . ?
Eu2 N8 C245 C96 -7.1(11) . . . . ?
Eu2 N8 C245 C246 172.7(9) . . . . ?
Eu3 Ti6 O35 Ti2 61.4(5) . . . . ?
Eu3 Ti6 O37 Eu1 -106.4(3) . . . . ?
Eu3 Ti6 O37 Ti8 36.9(2) . . . . ?
Eu3 Ti6 O3 Ti8 -140.1(4) . . . . ?
Eu3 Ti8 O13 Ti7 -56.5(5) . . . . ?
Eu3 Ti8 O37 Eu1 107.4(3) . . . . ?
Eu3 Ti8 O37 Ti6 -36.1(2) . . . . ?
Eu3 Ti2 O48 Ti7 142.1(5) . . . . ?
Eu3 Ti2 O35 Ti6 -61.4(5) . . . . ?
Eu3 Ti7 O48 Ti2 -141.9(5) . . . . ?
Eu3 Ti7 O13 Ti8 56.8(5) . . . . ?
Eu3 O26 C40 O2 1.9(13) . . . . ?
Eu3 O26 C40 C185 -178.7(5) . . . . ?
Eu3 O38 C182 O31 -32.9(14) . . . . ?
Eu3 O38 C182 C21 147.2(7) . . . . ?
Eu3 N10 C180 C132 179.9(7) . . . . ?
Eu3 N10 C180 C107 -0.5(11) . . . . ?
Eu3 N10 C79 C97 -175.8(7) . . . . ?
Eu3 O43 C163 O27 -9.4(13) . . . . ?
Eu3 O43 C163 C148 168.4(6) . . . . ?
Eu3 N3 C271 C242 -168.7(7) . . . . ?
Ti1 Ti4 O22 Ti3 0.2(5) . . . . ?
Ti1 Ti4 O32 Eu4 142.7(4) . . . . ?
Ti1 O4 C1 O5 -47.4(12) . . . . ?
Ti1 O4 C1 C172 134.0(6) . . . . ?
Ti1 O12 C108 O126 10.3(11) . . . . ?
Ti1 O12 C108 C170 -167.9(5) . . . . ?
Ti1 O56 C184 O49 -25.5(10) . . . . ?
Ti1 O56 C184 C46 154.2(5) . . . . ?
Ti4 Ti1 O32 Eu4 -142.5(4) . . . . ?
Ti4 Ti1 O7 Ti5 0.5(5) . . . . ?
Ti4 Ti1 O39 Eu2 137.3(4) . . . . ?
Ti4 O24 C308 O14 1.5(11) . . . . ?
Ti4 O24 C308 C292 -179.8(5) . . . . ?
Ti4 O40 C92 O25 28.2(13) . . . . ?
Ti4 O40 C92 C152 -154.7(5) . . . . ?
Ti6 Ti8 O13 Ti7 0.6(6) . . . . ?
Ti6 Ti8 O37 Eu1 143.4(4) . . . . ?
Ti6 O15 C116 O18 -47.2(12) . . . . ?
Ti6 O15 C116 C234 130.5(7) . . . . ?
Ti6 O31 C182 O38 3.4(12) . . . . ?
Ti6 O31 C182 C21 -176.7(5) . . . . ?
Ti6 O19 C36 C4 -168.6(6) . . . . ?
Ti6 O19 C36 O41 11.6(14) . . . . ?
Ti8 Ti6 O35 Ti2 2.9(6) . . . . ?
Ti8 Ti6 O37 Eu1 -143.3(5) . . . . ?
Ti8 Ti6 O3 Eu3 140.1(4) . . . . ?
Ti8 O8 C44 C48 -154.6(6) . . . . ?
Ti8 O8 C44 O86 26.4(12) . . . . ?
Ti8 O44 C5 C64 -140.4(6) . . . . ?
Ti8 O44 C5 O11 37.8(13) . . . . ?
Ti2 Ti7 O48 Eu3 141.9(5) . . . . ?
Ti2 Ti7 O13 Ti8 -1.2(6) . . . . ?
Ti2 O30 C183 O42 7.8(13) . . . . ?
Ti2 O30 C183 C139 -168.9(6) . . . . ?
Ti2 O2 C40 O26 -38.5(12) . . . . ?
Ti2 O2 C40 C185 142.0(6) . . . . ?
Ti2 O47 C157 O36 -25.1(10) . . . . ?
Ti2 O47 C157 C272 153.3(5) . . . . ?
Ti5 Ti3 O22 Ti4 -0.5(5) . . . . ?
Ti5 Ti3 O46 Eu2 142.1(4) . . . . ?
Ti5 O6 C118 O17 15.1(11) . . . . ?
Ti5 O6 C118 C98 -166.6(5) . . . . ?
Ti5 O28 C136 O34 -20.5(13) . . . . ?
Ti5 O28 C136 C156 159.7(6) . . . . ?
Ti5 O9 C74 C38 -177.6(5) . . . . ?
Ti5 O9 C74 O23 1.9(11) . . . . ?
Ti3 Ti5 O46 Eu2 -142.1(4) . . . . ?
Ti3 Ti5 O7 Ti1 -0.8(5) . . . . ?
Ti3 O10 C154 O33 24.3(11) . . . . ?
Ti3 O10 C154 C280 -153.8(5) . . . . ?
Ti3 O17 C118 O6 -14.5(11) . . . . ?
Ti3 O17 C118 C98 167.2(5) . . . . ?
Ti3 O45 C291 O20 44.3(11) . . . . ?
Ti3 O45 C291 C138 -132.2(6) . . . . ?
Ti7 Ti2 O48 Eu3 -142.1(5) . . . . ?
Ti7 Ti2 O35 Ti6 -3.4(6) . . . . ?
Ti7 O42 C183 O30 -8.0(13) . . . . ?
Ti7 O42 C183 C139 168.7(6) . . . . ?
Ti7 O27 C163 O43 48.9(12) . . . . ?
Ti7 O27 C163 C148 -128.9(7) . . . . ?
Ti7 O29 C192 O21 -0.5(12) . . . . ?
Ti7 O29 C192 C142 178.3(5) . . . . ?
O1 Ti2 O48 Eu3 -131.0(3) . . . . ?
O1 Ti2 O48 Ti7 11.1(3) . . . . ?
O1 Ti2 O35 Ti6 38.8(6) . . . . ?
O1 Ti7 O48 Eu3 130.9(4) . . . . ?
O1 Ti7 O48 Ti2 -11.0(2) . . . . ?
O1 Ti7 O13 Ti8 -43.1(6) . . . . ?
O4 Ti1 O32 Eu4 57.3(3) . . . . ?
O4 Ti1 O32 Ti4 -160.2(3) . . . . ?
O4 Ti1 O7 Ti5 -128.5(5) . . . . ?
O4 Ti1 O39 Eu2 165.4(9) . . . . ?
O4 Ti1 O39 Ti4 28.1(11) . . . . ?
O4 C1 O5 Eu4 5.6(12) . . . . ?
O4 C1 C172 C82 -9.0(12) . . . . ?
O4 C1 C172 C195 174.1(8) . . . . ?
O6 Ti5 O46 Eu2 140.2(3) . . . . ?
O6 Ti5 O46 Ti3 -77.7(2) . . . . ?
O8 Ti8 O13 Ti7 -136.5(6) . . . . ?
O8 C44 C48 C144 175.1(8) . . . . ?
O8 C44 C48 C165 -3.2(13) . . . . ?
O8 C44 O86 Eu3 -10.4(18) . . . . ?
O10 Ti3 O22 Ti4 -139.0(5) . . . . ?
O10 C154 C280 C106 168.7(7) . . . . ?
O10 C154 C280 C207 -11.1(11) . . . . ?
O12 Ti1 O32 Eu4 139.1(3) . . . . ?
O12 Ti1 O32 Ti4 -78.3(2) . . . . ?
O12 Ti1 O7 Ti5 -174.3(10) . . . . ?
O12 Ti1 O39 Eu2 -144.6(3) . . . . ?
O12 Ti1 O39 Ti4 78.1(2) . . . . ?
O12 C108 O126 Ti4 -11.4(11) . . . . ?
O12 C108 C170 C286 14.7(11) . . . . ?
O12 C108 C170 C147 -162.9(8) . . . . ?
O16 Ti5 O46 Eu2 -130.9(3) . . . . ?
O16 Ti5 O46 Ti3 11.2(2) . . . . ?
O16 Ti5 O7 Ti1 40.8(5) . . . . ?
O16 Ti3 O22 Ti4 -42.3(5) . . . . ?
O16 Ti3 O46 Eu2 130.9(3) . . . . ?
O16 Ti3 O46 Ti5 -11.2(2) . . . . ?
O18 C116 C234 C137 -19.7(13) . . . . ?
O18 C116 C234 C299 156.2(9) . . . . ?
O22 Ti4 O32 Eu4 33.8(3) . . . . ?
O22 Ti4 O32 Ti1 -109.0(2) . . . . ?
O22 Ti3 O46 Eu2 33.4(3) . . . . ?
O22 Ti3 O46 Ti5 -108.7(3) . . . . ?
N1 C66 C310 N14 -11.1(11) . . . . ?
N1 C66 C310 C231 166.9(8) . . . . ?
N1 C66 C267 C306 0.0(13) . . . . ?
N1 C146 C223 C306 1.5(13) . . . . ?
N1 C146 C223 C17 -172.8(8) . . . . ?
O24 Ti4 O22 Ti3 -135.7(5) . . . . ?
O24 Ti4 O32 Eu4 -167.1(11) . . . . ?
O24 Ti4 O32 Ti1 50.1(13) . . . . ?
O26 C40 C185 C196 171.8(8) . . . . ?
O26 C40 C185 C57 -2.6(12) . . . . ?
O28 Ti5 O46 Eu2 59.5(3) . . . . ?
O28 Ti5 O46 Ti3 -158.4(3) . . . . ?
O28 Ti5 O7 Ti1 -130.6(5) . . . . ?
O28 C136 C156 C58 -16.5(12) . . . . ?
O28 C136 C156 C225 160.8(8) . . . . ?
O30 Ti2 O48 Eu3 139.5(3) . . . . ?
O30 Ti2 O48 Ti7 -78.4(3) . . . . ?
O30 Ti2 O35 Ti6 -176.4(11) . . . . ?
O30 C183 C139 C50 -166.8(9) . . . . ?
O30 C183 C139 C222 11.8(13) . . . . ?
O32 Ti1 O7 Ti5 -40.4(5) . . . . ?
O32 Ti1 O39 Eu2 126.1(3) . . . . ?
O32 Ti1 O39 Ti4 -11.2(2) . . . . ?
O32 Ti4 O22 Ti3 40.7(5) . . . . ?
C1 C172 C195 C273 175.0(9) . . . . ?
O34 C136 C156 C58 163.6(9) . . . . ?
O34 C136 C156 C225 -19.0(12) . . . . ?
O38 C182 C21 C282 -16.6(12) . . . . ?
O38 C182 C21 C131 164.0(8) . . . . ?
O40 Ti4 O22 Ti3 130.3(5) . . . . ?
O40 Ti4 O32 Eu4 -57.8(3) . . . . ?
O40 Ti4 O32 Ti1 159.5(3) . . . . ?
O40 C92 C152 C16 -157.8(8) . . . . ?
O40 C92 C152 C115 20.6(11) . . . . ?
O42 Ti7 O48 Eu3 -141.0(3) . . . . ?
O42 Ti7 O48 Ti2 77.1(3) . . . . ?
O42 Ti7 O13 Ti8 -177.3(11) . . . . ?
O42 C183 C139 C50 16.3(13) . . . . ?
O42 C183 C139 C222 -165.1(9) . . . . ?
O44 Ti8 O13 Ti7 130.7(6) . . . . ?
O44 Ti8 O37 Eu1 -57.7(3) . . . . ?
O44 Ti8 O37 Ti6 158.8(3) . . . . ?
N4 C96 C173 C293 1.7(14) . . . . ?
N4 C96 C245 N8 -8.8(13) . . . . ?
N4 C96 C245 C246 171.4(10) . . . . ?
N4 C176 C214 C285 -174.6(9) . . . . ?
N4 C176 C214 C293 0.8(13) . . . . ?
O46 Ti5 O7 Ti1 -40.9(5) . . . . ?
O46 Ti3 O22 Ti4 40.3(5) . . . . ?
O48 Ti2 O35 Ti6 -44.1(6) . . . . ?
O48 Ti7 O13 Ti8 39.9(6) . . . . ?
O25 C92 C152 C16 19.5(12) . . . . ?
O25 C92 C152 C115 -162.1(8) . . . . ?
O13 Ti8 O37 Eu1 34.6(4) . . . . ?
O13 Ti8 O37 Ti6 -108.9(3) . . . . ?
O13 Ti7 O48 Eu3 32.8(4) . . . . ?
O13 Ti7 O48 Ti2 -109.1(3) . . . . ?
O27 Ti7 O48 Eu3 -59.3(3) . . . . ?
O27 Ti7 O48 Ti2 158.8(3) . . . . ?
O27 Ti7 O13 Ti8 127.7(6) . . . . ?
C4 C36 O41 Ti8 167.3(6) . . . . ?
C4 C149 C151 C77 -0.9(19) . . . . ?
O7 Ti1 O32 Eu4 -33.5(3) . . . . ?
O7 Ti1 O32 Ti4 109.0(2) . . . . ?
O7 Ti1 O39 Eu2 29.3(3) . . . . ?
O7 Ti1 O39 Ti4 -107.9(2) . . . . ?
O7 Ti5 O46 Eu2 -33.2(3) . . . . ?
O7 Ti5 O46 Ti3 108.9(2) . . . . ?
O29 Ti7 O48 Eu3 -156.2(13) . . . . ?
O29 Ti7 O48 Ti2 61.9(16) . . . . ?
O29 Ti7 O13 Ti8 -138.6(6) . . . . ?
O15 Ti6 O35 Ti2 -126.2(6) . . . . ?
O15 Ti6 O37 Eu1 58.2(3) . . . . ?
O15 Ti6 O37 Ti8 -158.4(3) . . . . ?
O15 Ti6 O3 Eu3 171.2(8) . . . . ?
O15 Ti6 O3 Ti8 31.1(11) . . . . ?
O15 C116 C234 C137 162.5(8) . . . . ?
O15 C116 C234 C299 -21.6(12) . . . . ?
C6 C34 C166 C140 0.2(14) . . . . ?
C6 C34 C166 C191 175.3(9) . . . . ?
C6 C98 C118 O6 -17.3(12) . . . . ?
C6 C98 C118 O17 161.1(8) . . . . ?
O31 Ti6 O35 Ti2 139.9(6) . . . . ?
O31 Ti6 O37 Eu1 160.8(12) . . . . ?
O31 Ti6 O37 Ti8 -55.9(14) . . . . ?
O31 Ti6 O3 Eu3 -61.6(3) . . . . ?
O31 Ti6 O3 Ti8 158.4(2) . . . . ?
O31 C182 C21 C282 163.5(8) . . . . ?
O31 C182 C21 C131 -15.9(12) . . . . ?
O2 Ti2 O48 Eu3 58.7(3) . . . . ?
O2 Ti2 O48 Ti7 -159.3(3) . . . . ?
O2 Ti2 O35 Ti6 -132.6(6) . . . . ?
O2 C40 C185 C196 -8.8(12) . . . . ?
O2 C40 C185 C57 176.9(8) . . . . ?
O33 C154 C280 C106 -9.6(10) . . . . ?
O33 C154 C280 C207 170.6(7) . . . . ?
O17 Ti3 O22 Ti4 176.2(10) . . . . ?
O17 Ti3 O46 Eu2 -139.3(3) . . . . ?
O17 Ti3 O46 Ti5 78.7(2) . . . . ?
O35 Ti6 O37 Eu1 -34.4(4) . . . . ?
O35 Ti6 O37 Ti8 108.9(3) . . . . ?
O35 Ti6 O3 Eu3 31.1(3) . . . . ?
O35 Ti6 O3 Ti8 -109.0(3) . . . . ?
O35 Ti2 O48 Eu3 -32.9(3) . . . . ?
O35 Ti2 O48 Ti7 109.2(3) . . . . ?
C8 C38 C54 C200 -1.2(13) . . . . ?
C8 C38 C74 O9 165.7(7) . . . . ?
C8 C38 C74 O23 -13.8(11) . . . . ?
C8 C124 C109 C200 -1.9(14) . . . . ?
C8 C124 C109 C232 177.2(9) . . . . ?
O9 Ti5 O46 Eu2 169.1(10) . . . . ?
O9 Ti5 O46 Ti3 -48.8(12) . . . . ?
O9 Ti5 O7 Ti1 135.1(5) . . . . ?
O9 C74 O23 Eu4 -36.0(13) . . . . ?
O37 Ti6 O35 Ti2 -37.1(6) . . . . ?
O37 Ti6 O3 Eu3 128.9(3) . . . . ?
O37 Ti6 O3 Ti8 -11.2(2) . . . . ?
O37 Ti8 O13 Ti7 41.4(6) . . . . ?
O19 Ti6 O35 Ti2 179(88) . . . . ?
O19 Ti6 O37 Eu1 139.7(3) . . . . ?
O19 Ti6 O37 Ti8 -77.0(3) . . . . ?
O19 Ti6 O3 Eu3 -141.9(3) . . . . ?
O19 Ti6 O3 Ti8 78.0(3) . . . . ?
O19 C36 O41 Ti8 -13.0(14) . . . . ?
O39 Ti1 O32 Eu4 -131.2(3) . . . . ?
O39 Ti1 O32 Ti4 11.3(2) . . . . ?
O39 Ti1 O7 Ti5 42.3(5) . . . . ?
O39 Ti4 O22 Ti3 -41.0(5) . . . . ?
O39 Ti4 O32 Eu4 131.5(3) . . . . ?
O39 Ti4 O32 Ti1 -11.2(2) . . . . ?
C10 C64 C250 C158 -2.7(14) . . . . ?
C10 C64 C5 O44 -175.7(8) . . . . ?
C10 C64 C5 O11 5.8(12) . . . . ?
C12 C60 C273 C195 3.5(17) . . . . ?
C12 C60 C281 C101 175.8(11) . . . . ?
C12 C60 C281 C127 -65.1(15) . . . . ?
C12 C60 C281 C313 56.1(16) . . . . ?
C12 C82 C172 C1 -173.4(9) . . . . ?
C12 C82 C172 C195 3.4(15) . . . . ?
C14 N8 C245 C96 178.8(8) . . . . ?
C14 N8 C245 C246 -1.4(15) . . . . ?
C14 C3 C247 C246 2(2) . . . . ?
C16 C152 C115 C7 1.6(13) . . . . ?
C16 C168 C294 C274 -177.0(8) . . . . ?
C16 C168 C294 C7 3.6(13) . . . . ?
C18 C106 C280 C154 178.4(7) . . . . ?
C18 C106 C280 C207 -1.8(12) . . . . ?
O5 C1 C172 C82 172.3(8) . . . . ?
O5 C1 C172 C195 -4.6(12) . . . . ?
C20 C248 C91 C292 2.6(15) . . . . ?
C20 C302 C63 C292 2.3(14) . . . . ?
C22 C148 C163 O27 -165.0(8) . . . . ?
C22 C148 C163 O43 17.0(13) . . . . ?
C26 N15 C37 C219 -1.5(17) . . . . ?
C28 C68 C216 C188 -175.1(10) . . . . ?
C28 C68 C216 C210 -50.8(15) . . . . ?
C28 C68 C216 C71 65.7(14) . . . . ?
C28 C68 C161 C196 -2.8(16) . . . . ?
C30 C70 C272 C224 -2.6(12) . . . . ?
C30 C70 C272 C157 177.4(8) . . . . ?
C30 C164 C41 C224 0.2(13) . . . . ?
C34 C6 C98 C80 4.1(14) . . . . ?
C34 C6 C98 C118 -176.9(9) . . . . ?
C34 C166 C191 C47 4.3(13) . . . . ?
C34 C166 C191 C215 -113.9(10) . . . . ?
C34 C166 C191 C275 126.6(10) . . . . ?
C36 C4 C177 C194 -176.8(11) . . . . ?
C36 C4 C149 C151 178.0(11) . . . . ?
O41 Ti8 O13 Ti7 -174.5(11) . . . . ?
O41 Ti8 O37 Eu1 -139.2(3) . . . . ?
O41 Ti8 O37 Ti6 77.4(3) . . . . ?
C38 C8 C124 C109 -0.2(14) . . . . ?
C38 C54 C200 C109 -1.0(14) . . . . ?
C38 C74 O23 Eu4 143.5(7) . . . . ?
C40 C185 C57 C28 171.9(9) . . . . ?
C42 C90 C142 C192 -178.1(9) . . . . ?
C42 C90 C142 C169 0.4(15) . . . . ?
C42 C167 C197 C169 3.8(14) . . . . ?
C44 C48 C144 C130 -178.7(8) . . . . ?
C44 C48 C165 C235 179.6(8) . . . . ?
C46 C72 C220 C24 2.1(13) . . . . ?
C46 C228 C125 C24 3.4(13) . . . . ?
C48 C44 O86 Eu3 170.6(8) . . . . ?
C48 C165 C235 C208 -0.8(14) . . . . ?
C52 C58 C156 C136 175.4(9) . . . . ?
C52 C58 C156 C225 -1.9(14) . . . . ?
C52 C178 C198 C110 119.8(10) . . . . ?
C52 C178 C198 C284 -121.0(10) . . . . ?
C52 C178 C198 C81 -1.7(13) . . . . ?
C52 C178 C298 C225 -1.6(13) . . . . ?
C54 C38 C74 O9 -13.1(11) . . . . ?
C54 C38 C74 O23 167.4(8) . . . . ?
C54 C200 C109 C124 2.5(14) . . . . ?
C54 C200 C109 C232 -176.6(9) . . . . ?
O56 Ti1 O7 Ti5 139.5(5) . . . . ?
O56 Ti1 O39 Eu2 -59.8(3) . . . . ?
O56 Ti1 O39 Ti4 162.9(2) . . . . ?
N8 C14 C3 C247 0.7(19) . . . . ?
C58 C52 C178 C198 -174.8(9) . . . . ?
C58 C52 C178 C298 3.2(15) . . . . ?
C58 C156 C225 C298 3.4(13) . . . . ?
C60 C12 C82 C172 -1.5(17) . . . . ?
C62 C78 C138 C159 2.1(14) . . . . ?
C62 C78 C138 C291 -175.5(9) . . . . ?
C62 C263 C297 C159 1.7(15) . . . . ?
N10 C180 C107 C162 -172.0(9) . . . . ?
N10 C180 C107 N3 10.8(12) . . . . ?
N10 C79 C97 C84 -3.8(15) . . . . ?
C64 C10 C243 C95 -0.4(14) . . . . ?
C66 N1 C146 C223 -4.0(12) . . . . ?
C66 C310 C231 C33 -177.4(8) . . . . ?
C68 C28 C57 C185 -0.1(16) . . . . ?
C70 C30 C164 C88 179.3(9) . . . . ?
C70 C30 C164 C41 -1.2(13) . . . . ?
C70 C272 C157 O36 -172.9(7) . . . . ?
C70 C272 C157 O47 8.6(11) . . . . ?
C72 C46 C184 O49 -166.4(7) . . . . ?
C72 C46 C184 O56 13.9(11) . . . . ?
C72 C46 C228 C125 0.2(12) . . . . ?
C74 C38 C54 C200 177.7(8) . . . . ?
C76 C148 C163 O27 20.7(13) . . . . ?
C76 C148 C163 O43 -157.3(9) . . . . ?
C78 C62 C263 C238 179.4(10) . . . . ?
C78 C62 C263 C297 -1.7(16) . . . . ?
C78 C138 C159 C297 -2.1(13) . . . . ?
C78 C138 C291 O20 6.2(12) . . . . ?
C78 C138 C291 O45 -177.0(8) . . . . ?
C80 C98 C118 O6 161.7(7) . . . . ?
C80 C98 C118 O17 -19.9(11) . . . . ?
C80 C140 C166 C34 0.5(13) . . . . ?
C80 C140 C166 C191 -174.8(8) . . . . ?
C82 C12 C60 C273 -2.0(18) . . . . ?
C82 C12 C60 C281 177.7(11) . . . . ?
C82 C172 C195 C273 -1.9(14) . . . . ?
C84 C132 C180 N10 -4.6(16) . . . . ?
C84 C132 C180 C107 175.9(10) . . . . ?
O86 C44 C48 C144 -5.9(12) . . . . ?
O86 C44 C48 C165 175.9(8) . . . . ?
C88 C164 C41 C224 179.7(8) . . . . ?
C90 C42 C167 C204 175.1(10) . . . . ?
C90 C42 C167 C197 -7.6(16) . . . . ?
C90 C142 C192 O29 15.4(13) . . . . ?
C90 C142 C192 O21 -165.7(9) . . . . ?
C90 C142 C169 C197 -4.0(14) . . . . ?
C92 C152 C115 C7 -176.8(8) . . . . ?
N14 C212 C268 C33 1.4(14) . . . . ?
N14 C310 C231 C33 0.6(14) . . . . ?
C96 N4 C176 C214 -2.4(12) . . . . ?
C96 C173 C293 C214 -3.2(13) . . . . ?
C96 C173 C293 C278 177.2(9) . . . . ?
O45 Ti3 O22 Ti4 127.9(5) . . . . ?
O45 Ti3 O46 Eu2 -58.1(3) . . . . ?
O45 Ti3 O46 Ti5 159.9(3) . . . . ?
N15 C26 C103 N11 1.2(13) . . . . ?
N15 C26 C103 C99 -180.0(8) . . . . ?
N15 C26 C141 C249 -6(2) . . . . ?
C98 C6 C34 C166 -2.5(16) . . . . ?
C98 C80 C140 C166 1.2(13) . . . . ?
C100 C174 C230 C258 56.0(11) . . . . ?
C100 C174 C230 C2 -125.9(10) . . . . ?
C104 C50 C139 C222 0.2(16) . . . . ?
C104 C50 C139 C183 178.8(10) . . . . ?
C104 C94 C175 C187 177.7(15) . . . . ?
C104 C94 C175 C265 -63.2(18) . . . . ?
C104 C94 C175 C143 53.4(16) . . . . ?
C104 C94 C227 C222 2(2) . . . . ?
C106 C18 C241 C226 -177.4(8) . . . . ?
C106 C18 C241 C290 1.4(12) . . . . ?
C106 C280 C207 C290 2.8(12) . . . . ?
C108 C170 C286 C258 -177.7(8) . . . . ?
C108 C170 C147 C2 174.7(8) . . . . ?
C112 C226 C241 C18 173.9(8) . . . . ?
C112 C226 C241 C290 -4.8(13) . . . . ?
C114 C23 C285 C214 40.6(14) . . . . ?
C114 C23 C285 C45 146.4(11) . . . . ?
C114 C23 C155 C278 -39.2(12) . . . . ?
C114 C23 C155 C45 -147.8(9) . . . . ?
C116 C234 C137 C217 174.6(8) . . . . ?
C116 C234 C299 C300 -174.7(9) . . . . ?
C124 C8 C38 C54 1.8(12) . . . . ?
C124 C8 C38 C74 -177.0(8) . . . . ?
O126 Ti4 O32 Eu4 -139.9(3) . . . . ?
O126 Ti4 O32 Ti1 77.4(2) . . . . ?
O126 C108 C170 C286 -163.5(7) . . . . ?
O126 C108 C170 C147 18.8(12) . . . . ?
C128 C204 C167 C42 -123.3(11) . . . . ?
C128 C204 C167 C197 59.4(13) . . . . ?
C130 C208 C235 C165 -0.6(14) . . . . ?
C130 C208 C15 C122 -62.7(13) . . . . ?
C130 C208 C15 C61 53.5(14) . . . . ?
C130 C208 C15 C67 173.7(10) . . . . ?
C132 C84 C97 C79 1.2(15) . . . . ?
C132 C180 C107 C162 7.6(15) . . . . ?
C132 C180 C107 N3 -169.7(9) . . . . ?
C136 C156 C225 C298 -174.0(8) . . . . ?
C138 C159 C297 C263 0.2(14) . . . . ?
C140 C80 C98 C6 -3.5(12) . . . . ?
C140 C80 C98 C118 177.5(8) . . . . ?
C140 C166 C191 C47 179.4(9) . . . . ?
C140 C166 C191 C215 61.1(11) . . . . ?
C140 C166 C191 C275 -58.4(11) . . . . ?
C142 C169 C197 C167 1.9(14) . . . . ?
C144 C48 C165 C235 1.3(13) . . . . ?
C144 C130 C208 C235 1.6(14) . . . . ?
C144 C130 C208 C15 -178.3(8) . . . . ?
C146 N1 C66 C310 -179.7(7) . . . . ?
C146 N1 C66 C267 3.3(12) . . . . ?
C146 C223 C17 C266 -139.0(9) . . . . ?
C146 C223 C17 C289 128.8(10) . . . . ?
C148 C22 C244 C160 -1.3(16) . . . . ?
C148 C76 C87 C160 2.0(19) . . . . ?
C150 C232 C109 C124 63.1(12) . . . . ?
C150 C232 C109 C200 -117.8(10) . . . . ?
C152 C16 C168 C294 0.4(13) . . . . ?
C154 C280 C207 C290 -177.4(7) . . . . ?
C158 C95 C27 C120 112.8(11) . . . . ?
C158 C95 C27 C133 -6.6(14) . . . . ?
C158 C95 C27 C283 -125.5(11) . . . . ?
C158 C95 C243 C10 -2.2(13) . . . . ?
C162 C93 C309 C277 -175.0(9) . . . . ?
C162 C107 N3 Eu3 166.7(7) . . . . ?
C162 C107 N3 C271 -2.5(13) . . . . ?
C164 C30 C70 C272 2.5(13) . . . . ?
C168 C16 C152 C92 175.4(8) . . . . ?
C168 C16 C152 C115 -3.1(13) . . . . ?
C168 C294 C7 C115 -5.1(13) . . . . ?
C170 C108 O126 Ti4 166.7(5) . . . . ?
C172 C1 O5 Eu4 -175.8(5) . . . . ?
C172 C195 C273 C60 -1.6(16) . . . . ?
C174 C230 C258 C286 173.2(8) . . . . ?
C174 C230 C2 C147 -176.1(9) . . . . ?
C176 N4 C96 C173 1.1(13) . . . . ?
C176 N4 C96 C245 -179.4(8) . . . . ?
C176 C214 C285 C45 128.6(10) . . . . ?
C176 C214 C285 C23 -138.8(9) . . . . ?
C176 C214 C293 C278 -178.4(8) . . . . ?
C176 C214 C293 C173 2.0(13) . . . . ?
C178 C52 C58 C156 -1.4(16) . . . . ?
C178 C298 C225 C156 -1.7(13) . . . . ?
C180 N10 C79 C97 2.0(14) . . . . ?
C180 C107 N3 Eu3 -16.1(11) . . . . ?
C180 C107 N3 C271 174.8(8) . . . . ?
C182 C21 C131 C303 176.3(9) . . . . ?
C184 C46 C72 C220 176.8(8) . . . . ?
C184 C46 C228 C125 -179.5(7) . . . . ?
C186 C276 C13 C288 64.1(15) . . . . ?
C186 C276 C13 C25 -173.3(12) . . . . ?
C186 C276 C13 C153 -55.4(15) . . . . ?
C186 C276 C303 C131 2.5(17) . . . . ?
C186 C282 C21 C182 -175.9(8) . . . . ?
C186 C282 C21 C131 3.5(13) . . . . ?
O47 Ti2 O35 Ti6 135.4(6) . . . . ?
C192 C142 C169 C197 174.5(8) . . . . ?
C196 C185 C57 C28 -2.7(14) . . . . ?
C198 C178 C298 C225 176.4(8) . . . . ?
C202 C274 C294 C168 -59.4(11) . . . . ?
C202 C274 C294 C7 120.0(9) . . . . ?
C204 C167 C197 C169 -178.8(9) . . . . ?
C206 C171 C287 C102 146.8(11) . . . . ?
C206 C171 C287 C264 -84.9(10) . . . . ?
C206 C171 C287 C277 27.3(8) . . . . ?
C206 C277 C287 C102 -149.1(10) . . . . ?
C206 C277 C287 C264 83.5(10) . . . . ?
C206 C277 C287 C171 -27.7(7) . . . . ?
C206 C277 C309 C93 45.8(11) . . . . ?
C208 C130 C144 C48 -1.1(14) . . . . ?
C212 N14 C310 C66 178.8(7) . . . . ?
C212 N14 C310 C231 0.8(12) . . . . ?
C212 C268 C33 C231 0.1(14) . . . . ?
O3 Ti6 O35 Ti2 44.2(6) . . . . ?
O3 Ti6 O37 Eu1 -131.8(3) . . . . ?
O3 Ti6 O37 Ti8 11.5(2) . . . . ?
O3 Ti8 O13 Ti7 -40.5(6) . . . . ?
O3 Ti8 O37 Eu1 132.0(3) . . . . ?
O3 Ti8 O37 Ti6 -11.4(2) . . . . ?
C216 C68 C161 C196 174.5(10) . . . . ?
C220 C24 C85 C32 -114.9(11) . . . . ?
C220 C24 C85 C304 124.5(12) . . . . ?
C220 C24 C85 C19 7.3(13) . . . . ?
C220 C24 C125 C228 -4.1(13) . . . . ?
C224 C272 C157 O36 7.1(11) . . . . ?
C224 C272 C157 O47 -171.4(7) . . . . ?
C228 C46 C72 C220 -2.9(12) . . . . ?
C228 C46 C184 O49 13.3(10) . . . . ?
C228 C46 C184 O56 -166.4(7) . . . . ?
C230 C258 C286 C170 4.1(13) . . . . ?
C230 C2 C147 C170 1.9(15) . . . . ?
C236 C88 C164 C30 12.7(14) . . . . ?
C236 C88 C164 C41 -166.8(10) . . . . ?
C238 C263 C297 C159 -179.4(10) . . . . ?
C242 C171 C287 C102 42.2(13) . . . . ?
C242 C171 C287 C264 170.5(8) . . . . ?
C242 C171 C287 C277 -77.2(8) . . . . ?
C242 C93 C309 C277 2.6(13) . . . . ?
C244 C22 C148 C76 0.7(15) . . . . ?
C244 C22 C148 C163 -173.6(9) . . . . ?
C244 C160 C87 C76 -2.5(19) . . . . ?
C244 C160 C201 C31 97.3(14) . . . . ?
C244 C160 C201 C261 -30(2) . . . . ?
C244 C160 C201 C269 -144.2(12) . . . . ?
C248 C20 C302 C63 1.4(14) . . . . ?
C248 C20 C312 C218 -122.4(10) . . . . ?
C248 C20 C312 C240 -3.2(14) . . . . ?
C248 C20 C312 C113 117.7(10) . . . . ?
C250 C64 C5 O44 7.0(12) . . . . ?
C250 C64 C5 O11 -171.4(8) . . . . ?
C250 C158 C95 C27 -175.3(9) . . . . ?
C250 C158 C95 C243 2.4(14) . . . . ?
C252 C174 C230 C258 177.3(9) . . . . ?
C252 C174 C230 C2 -4.6(13) . . . . ?
C258 C230 C2 C147 2.1(14) . . . . ?
C260 C274 C294 C168 179.1(8) . . . . ?
C260 C274 C294 C7 -1.5(13) . . . . ?
C262 C238 C263 C62 117.1(14) . . . . ?
C262 C238 C263 C297 -61.8(16) . . . . ?
C266 C229 C129 C306 -50.6(11) . . . . ?
C266 C229 C289 C17 29.0(7) . . . . ?
C266 C17 C289 C229 -28.9(8) . . . . ?
C270 C204 C167 C42 119.6(11) . . . . ?
C270 C204 C167 C197 -57.7(12) . . . . ?
C272 C224 C41 C164 -0.5(13) . . . . ?
C274 C294 C7 C115 175.5(8) . . . . ?
C276 C186 C282 C21 -0.9(15) . . . . ?
C282 C186 C276 C13 177.3(10) . . . . ?
C282 C186 C276 C303 -2.1(15) . . . . ?
C282 C21 C131 C303 -3.1(14) . . . . ?
C286 C170 C147 C2 -3.0(13) . . . . ?
C294 C7 C115 C152 2.6(14) . . . . ?
C296 C199 C55 C300 -35.3(14) . . . . ?
C296 C199 C55 C217 147.5(10) . . . . ?
C298 C178 C198 C110 -58.1(11) . . . . ?
C298 C178 C198 C284 61.0(11) . . . . ?
C298 C178 C198 C81 -179.7(9) . . . . ?
C302 C20 C248 C91 -3.8(14) . . . . ?
C302 C20 C312 C218 58.9(12) . . . . ?
C302 C20 C312 C240 178.2(10) . . . . ?
C302 C20 C312 C113 -60.9(11) . . . . ?
C306 C223 C17 C266 46.8(12) . . . . ?
C306 C223 C17 C289 -45.4(11) . . . . ?
C308 C292 C91 C248 -176.6(8) . . . . ?
C308 C292 C63 C302 174.3(8) . . . . ?
C310 C66 C267 C306 -176.9(8) . . . . ?
C310 N14 C212 C268 -1.8(12) . . . . ?
C310 C231 C33 C268 -1.0(14) . . . . ?
C312 C20 C248 C91 177.5(9) . . . . ?
C312 C20 C302 C63 -179.9(9) . . . . ?
C39 C174 C230 C258 -61.6(11) . . . . ?
C39 C174 C230 C2 116.5(10) . . . . ?
C79 N10 C180 C132 2.1(14) . . . . ?
C79 N10 C180 C107 -178.3(8) . . . . ?
C159 C138 C291 O20 -171.3(8) . . . . ?
C159 C138 C291 O45 5.5(11) . . . . ?
C5 C64 C250 C158 174.6(8) . . . . ?
C161 C68 C216 C188 7.8(16) . . . . ?
C161 C68 C216 C210 132.1(12) . . . . ?
C161 C68 C216 C71 -111.4(12) . . . . ?
C161 C196 C185 C40 -171.9(9) . . . . ?
C161 C196 C185 C57 2.7(14) . . . . ?
C41 C224 C272 C70 1.7(12) . . . . ?
C41 C224 C272 C157 -178.3(8) . . . . ?
C165 C48 C144 C130 -0.4(13) . . . . ?
C83 C99 C103 C26 -178.7(9) . . . . ?
C83 C99 C103 N11 0.1(14) . . . . ?
C83 C73 C301 C9 -50.0(11) . . . . ?
C83 C73 C301 C305 44.4(10) . . . . ?
C167 C42 C90 C142 5.6(17) . . . . ?
C21 C131 C303 C276 0.2(17) . . . . ?
C169 C142 C192 O29 -163.1(8) . . . . ?
C169 C142 C192 O21 15.8(12) . . . . ?
C85 C24 C220 C72 -179.1(9) . . . . ?
C85 C24 C125 C228 176.3(8) . . . . ?
C171 C206 C277 C287 28.0(8) . . . . ?
C171 C206 C277 C309 -85.0(9) . . . . ?
C171 C242 C93 C162 176.2(9) . . . . ?
C171 C242 C93 C309 -1.6(13) . . . . ?
C171 C242 C271 N3 -178.7(9) . . . . ?
C43 C238 C263 C62 -112.1(15) . . . . ?
C43 C238 C263 C297 69.0(15) . . . . ?
C173 C96 C245 N8 170.7(9) . . . . ?
C173 C96 C245 C246 -9.1(16) . . . . ?
C87 C76 C148 C22 -1.0(16) . . . . ?
C87 C76 C148 C163 173.4(10) . . . . ?
C87 C160 C244 C22 2.2(18) . . . . ?
C87 C160 C201 C31 -84.9(16) . . . . ?
C87 C160 C201 C261 147.9(15) . . . . ?
C87 C160 C201 C269 33.7(18) . . . . ?
C175 C94 C104 C50 -176.3(12) . . . . ?
C175 C94 C227 C222 177.2(13) . . . . ?
C11 C23 C285 C214 170.7(9) . . . . ?
C11 C23 C285 C45 -83.5(11) . . . . ?
C11 C23 C155 C278 -168.4(9) . . . . ?
C11 C23 C155 C45 83.0(10) . . . . ?
C177 C4 C36 O19 164.1(10) . . . . ?
C177 C4 C36 O41 -16.1(15) . . . . ?
C177 C4 C149 C151 2.1(17) . . . . ?
C177 C194 C77 C145 179.7(13) . . . . ?
C177 C194 C77 C151 3(2) . . . . ?
C91 C292 C308 O14 -172.3(8) . . . . ?
C91 C292 C308 O24 8.8(11) . . . . ?
C91 C292 C63 C302 -3.6(13) . . . . ?
C185 C196 C161 C68 0.1(16) . . . . ?
C93 C162 C107 C180 -177.2(9) . . . . ?
C93 C162 C107 N3 -0.1(14) . . . . ?
C93 C242 C171 C206 -46.1(11) . . . . ?
C93 C242 C171 C287 44.9(11) . . . . ?
C93 C242 C271 N3 4.1(14) . . . . ?
C95 C158 C250 C64 0.1(15) . . . . ?
C3 C14 N8 Eu2 -175.4(9) . . . . ?
C3 C14 N8 C245 -1.1(15) . . . . ?
C97 C84 C132 C180 2.8(17) . . . . ?
N11 C221 C123 C83 1.8(13) . . . . ?
N11 C221 C123 C213 -178.6(8) . . . . ?
C99 C83 C123 C213 176.9(8) . . . . ?
C99 C83 C123 C221 -3.5(13) . . . . ?
C99 C83 C73 C301 -175.5(9) . . . . ?
C201 C160 C244 C22 -179.9(12) . . . . ?
C201 C160 C87 C76 179.6(13) . . . . ?
C203 C145 C77 C194 121.6(15) . . . . ?
C203 C145 C77 C151 -61.4(16) . . . . ?
C103 C26 N15 Eu4 13.6(12) . . . . ?
C103 C26 N15 C37 -175.9(9) . . . . ?
C103 C26 C141 C249 175.3(13) . . . . ?
C103 N11 C221 C123 0.9(12) . . . . ?
C207 C290 C241 C18 -0.4(13) . . . . ?
C207 C290 C241 C226 178.3(8) . . . . ?
C13 C276 C303 C131 -177.0(11) . . . . ?
C209 C232 C109 C124 -178.5(10) . . . . ?
C209 C232 C109 C200 0.6(14) . . . . ?
C211 C88 C164 C30 124.9(12) . . . . ?
C211 C88 C164 C41 -54.5(13) . . . . ?
C53 C199 C55 C300 83.2(13) . . . . ?
C53 C199 C55 C217 -94.0(12) . . . . ?
C213 C9 C301 C73 81.5(9) . . . . ?
C213 C9 C301 C305 -28.3(7) . . . . ?
C107 C162 C93 C242 4.6(14) . . . . ?
C107 C162 C93 C309 -177.9(9) . . . . ?
C107 N3 C271 C242 0.4(13) . . . . ?
C27 C95 C243 C10 175.6(9) . . . . ?
C219 C249 C141 C26 3(2) . . . . ?
C55 C300 C299 C234 -0.2(16) . . . . ?
C55 C217 C137 C234 0.3(15) . . . . ?
C221 N11 C103 C26 176.9(8) . . . . ?
C221 N11 C103 C99 -1.9(12) . . . . ?
C223 C306 C129 C229 4.4(12) . . . . ?
C223 C306 C267 C66 -2.5(13) . . . . ?
C223 C17 C289 C229 81.7(8) . . . . ?
C227 C94 C104 C50 -1(2) . . . . ?
C227 C94 C175 C187 3(2) . . . . ?
C227 C94 C175 C265 121.8(15) . . . . ?
C227 C94 C175 C143 -121.6(15) . . . . ?
C227 C222 C139 C50 0.9(16) . . . . ?
C227 C222 C139 C183 -177.7(10) . . . . ?
C57 C28 C68 C216 -174.4(10) . . . . ?
C57 C28 C68 C161 2.8(16) . . . . ?
C229 C266 C17 C223 -77.9(9) . . . . ?
C229 C266 C17 C289 28.4(8) . . . . ?
C29 C145 C77 C194 -121.7(15) . . . . ?
C29 C145 C77 C151 55(2) . . . . ?
C235 C208 C15 C122 117.5(11) . . . . ?
C235 C208 C15 C61 -126.3(13) . . . . ?
C235 C208 C15 C67 -6.1(14) . . . . ?
C15 C208 C235 C165 179.2(9) . . . . ?
C241 C18 C106 C280 -0.3(12) . . . . ?
C241 C290 C207 C280 -1.7(13) . . . . ?
C121 C274 C294 C168 60.9(10) . . . . ?
C121 C274 C294 C7 -119.7(9) . . . . ?
C243 C10 C64 C250 2.9(13) . . . . ?
C243 C10 C64 C5 -174.5(8) . . . . ?
C243 C95 C27 C120 -64.8(12) . . . . ?
C243 C95 C27 C133 175.8(9) . . . . ?
C243 C95 C27 C283 56.9(13) . . . . ?
C245 C96 C173 C293 -177.9(9) . . . . ?
C245 C246 C247 C3 -5(2) . . . . ?
C123 C83 C99 C103 2.6(13) . . . . ?
C123 C83 C73 C301 2.5(12) . . . . ?
C123 C213 C9 C253 39.8(12) . . . . ?
C123 C213 C9 C75 169.8(8) . . . . ?
C123 C213 C9 C301 -77.1(8) . . . . ?
C123 C213 C305 C301 81.5(8) . . . . ?
C247 C246 C245 N8 4.3(19) . . . . ?
C247 C246 C245 C96 -175.8(12) . . . . ?
C249 C219 C37 N15 -1(2) . . . . ?
C125 C24 C220 C72 1.3(13) . . . . ?
C125 C24 C85 C32 64.7(12) . . . . ?
C125 C24 C85 C304 -55.9(13) . . . . ?
C125 C24 C85 C19 -173.1(9) . . . . ?
C251 C266 C229 C129 -37.6(11) . . . . ?
C251 C266 C229 C289 -147.1(9) . . . . ?
C251 C266 C17 C223 40.4(13) . . . . ?
C251 C266 C17 C289 146.8(10) . . . . ?
C63 C292 C308 O14 9.8(11) . . . . ?
C63 C292 C308 O24 -169.0(7) . . . . ?
C63 C292 C91 C248 1.2(13) . . . . ?
C253 C9 C301 C73 -37.7(12) . . . . ?
C253 C9 C301 C305 -147.5(9) . . . . ?
C255 C232 C109 C124 -56.0(13) . . . . ?
C255 C232 C109 C200 123.1(11) . . . . ?
C2 C230 C258 C286 -5.0(13) . . . . ?
C257 C204 C167 C42 0.8(15) . . . . ?
C257 C204 C167 C197 -176.4(10) . . . . ?
C129 C306 C223 C146 -177.5(8) . . . . ?
C129 C306 C223 C17 -3.0(13) . . . . ?
C129 C306 C267 C66 176.8(8) . . . . ?
C129 C229 C289 C17 -82.2(9) . . . . ?
C259 C226 C241 C18 53.6(13) . . . . ?
C259 C226 C241 C290 -125.0(12) . . . . ?
C65 C238 C263 C62 4.9(16) . . . . ?
C65 C238 C263 C297 -174.0(11) . . . . ?
C263 C62 C78 C138 -0.2(16) . . . . ?
C267 C66 C310 N14 165.9(8) . . . . ?
C267 C66 C310 C231 -16.0(13) . . . . ?
C267 C306 C223 C146 1.8(13) . . . . ?
C267 C306 C223 C17 176.4(8) . . . . ?
C267 C306 C129 C229 -174.9(9) . . . . ?
C135 C199 C55 C300 -159.7(12) . . . . ?
C135 C199 C55 C217 23.1(16) . . . . ?
C271 C242 C171 C206 136.7(10) . . . . ?
C271 C242 C171 C287 -132.3(10) . . . . ?
C271 C242 C93 C162 -6.3(13) . . . . ?
C271 C242 C93 C309 176.0(9) . . . . ?
C17 C266 C229 C129 81.0(9) . . . . ?
C17 C266 C229 C289 -28.6(7) . . . . ?
C273 C60 C281 C101 -4.6(17) . . . . ?
C273 C60 C281 C127 114.6(14) . . . . ?
C273 C60 C281 C313 -124.2(13) . . . . ?
C137 C234 C299 C300 1.3(15) . . . . ?
C137 C217 C55 C300 0.9(14) . . . . ?
C137 C217 C55 C199 178.2(9) . . . . ?
C277 C206 C171 C242 82.8(9) . . . . ?
C277 C206 C171 C287 -27.1(8) . . . . ?
C139 C50 C104 C94 -0.1(19) . . . . ?
C139 C222 C227 C94 -2.1(19) . . . . ?
C279 C266 C229 C129 -168.2(9) . . . . ?
C279 C266 C229 C289 82.2(10) . . . . ?
C279 C266 C17 C223 168.3(8) . . . . ?
C279 C266 C17 C289 -85.4(10) . . . . ?
C281 C60 C273 C195 -176.1(10) . . . . ?
C141 C26 N15 Eu4 -165.4(10) . . . . ?
C141 C26 N15 C37 5.0(16) . . . . ?
C141 C26 C103 N11 -179.8(11) . . . . ?
C141 C26 C103 C99 -1.0(16) . . . . ?
C285 C214 C293 C278 -2.6(12) . . . . ?
C285 C214 C293 C173 177.7(8) . . . . ?
C285 C45 C155 C278 -83.5(10) . . . . ?
C285 C45 C155 C23 28.9(8) . . . . ?
C285 C23 C155 C278 80.5(9) . . . . ?
C285 C23 C155 C45 -28.2(8) . . . . ?
C287 C277 C309 C93 -50.0(12) . . . . ?
C9 C213 C123 C83 45.4(10) . . . . ?
C9 C213 C123 C221 -134.3(9) . . . . ?
C9 C213 C305 C301 -28.7(8) . . . . ?
C9 C301 C305 C213 29.2(7) . . . . ?
C289 C229 C129 C306 43.4(11) . . . . ?
C291 C138 C159 C297 175.5(8) . . . . ?
C73 C83 C99 C103 -179.3(8) . . . . ?
C73 C83 C123 C213 -1.3(12) . . . . ?
C73 C83 C123 C221 178.4(8) . . . . ?
C73 C301 C305 C213 -83.3(9) . . . . ?
C293 C214 C285 C45 -46.9(11) . . . . ?
C293 C214 C285 C23 45.8(12) . . . . ?
C293 C278 C155 C45 44.2(11) . . . . ?
C293 C278 C155 C23 -50.3(11) . . . . ?
C147 C170 C286 C258 0.0(13) . . . . ?
C295 C226 C241 C18 -65.7(12) . . . . ?
C295 C226 C241 C290 115.6(11) . . . . ?
C37 C219 C249 C141 0(2) . . . . ?
C149 C4 C36 O19 -11.7(15) . . . . ?
C149 C4 C36 O41 168.0(10) . . . . ?
C149 C4 C177 C194 -0.9(18) . . . . ?
C149 C151 C77 C194 -2(2) . . . . ?
C149 C151 C77 C145 -178.6(13) . . . . ?
C299 C234 C137 C217 -1.4(14) . . . . ?
C299 C300 C55 C199 -178.3(10) . . . . ?
C299 C300 C55 C217 -0.9(16) . . . . ?
C75 C9 C301 C73 -166.8(9) . . . . ?
C75 C9 C301 C305 83.4(10) . . . . ?
C303 C276 C13 C288 -116.5(13) . . . . ?
C303 C276 C13 C25 6.1(18) . . . . ?
C303 C276 C13 C153 124.0(13) . . . . ?
C305 C213 C123 C83 -46.2(10) . . . . ?
C305 C213 C123 C221 134.2(9) . . . . ?
C305 C213 C9 C253 145.4(11) . . . . ?
C305 C213 C9 C75 -84.7(10) . . . . ?
C305 C213 C9 C301 28.5(8) . . . . ?
C307 C88 C164 C30 -112.4(13) . . . . ?
C307 C88 C164 C41 68.1(14) . . . . ?
C77 C194 C177 C4 -1(2) . . . . ?
C309 C277 C287 C102 -39.7(13) . . . . ?
C309 C277 C287 C264 -167.1(9) . . . . ?
C309 C277 C287 C171 81.7(9) . . . . ?
C155 C278 C293 C214 3.7(13) . . . . ?
C155 C278 C293 C173 -176.7(9) . . . . ?
C155 C45 C285 C214 82.9(9) . . . . ?
C155 C45 C285 C23 -28.1(9) . . . . ?
C155 C23 C285 C214 -77.1(9) . . . . ?
C155 C23 C285 C45 28.8(9) . . . . ?
C311 C145 C77 C194 0(2) . . . . ?
C311 C145 C77 C151 176.9(16) . . . . ?

