# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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. 
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data_mo_gt_1_0921_0m
_database_code_depnum_ccdc_archive 'CCDC 2386501'
loop_
_audit_author_name
_audit_author_address
'wenhua li' 'Heilongjiang University'
_audit_update_record             
;
2024-09-25 deposited with the CCDC.	2024-12-11 downloaded from the CCDC.
;
_audit_creation_date             2024-09-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C128 H168 Eu F28 O16, C4 H12 N, 5.25[CH4O]'
_chemical_formula_sum            'C137.25 H201 Eu F28 N O21.25'
_chemical_formula_weight         2888.94
_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 0.0033 0.0016 '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 -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
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                   15.8406(17)
_cell_length_b                   37.007(4)
_cell_length_c                   13.8562(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8122.7(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9058
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      27.103
_cell_measurement_theta_min      2.550
_shelx_estimated_absorpt_T_max   0.954
_shelx_estimated_absorpt_T_min   0.932
_exptl_absorpt_coefficient_mu    0.474
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6175
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3033
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0667
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            192185
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.243
_diffrn_reflns_theta_max         27.651
_diffrn_reflns_theta_min         2.550
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71076
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.831
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                15894
_reflns_number_total             18879
_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       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.766
_refine_diff_density_min         -0.429
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.082(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     838
_refine_ls_number_reflns         18879
_refine_ls_number_restraints     131
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0543
_refine_ls_restrained_S_all      1.053
_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)+(0.0948P)²+5.2719P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1560
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.918(13)
 0.082(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
 C55-C56 = C55-C60 = C55-O8
 1.51 with sigma of 0.02
 N1-C1 = N1-C2 = N1-C3 = N1-C68
 1.53 with sigma of 0.01
 C21-C20
 2.5 with sigma of 0.02
 C1-C2 = C2-C3 = C3-C68 = C1-C3 = C1-C68 = C2-C68
 2.3 with sigma of 0.04
 C1-C2 \\sim C2-C3 \\sim C3-C68 \\sim C1-C3 \\sim C1-C68 \\sim C2-C68
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
N1 \\sim C1 \\sim C2 \\sim C3 \\sim C68: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C15: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C15 \\sim C19 \\sim C21 \\sim C22: within 2A with sigma of 0.007 and sigma for
terminal atoms of 0.001 within 2A
Uanis(C31) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C68) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C1) \\sim
Ueq, Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C15) \\sim Ueq, Uanis(C16) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C19) \\sim Ueq, Uanis(C20) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C19) \\sim Ueq, Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C20) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C20) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Others
 Fixed Sof: N1(0.5) C1(0.5) H1A(0.5) H1B(0.5) H1C(0.5) C2(0.5) H2A(0.5)
 H2B(0.5) H2C(0.5) C3(0.5) H3A(0.5) H3B(0.5) H3C(0.5) C68(0.5) H68A(0.5)
 H68B(0.5) H68C(0.5)
6.a Riding coordinates:
 C31(H31A,H31B,H31C), C61(H61A,H61B,H61C), C2(H2A,H2B,H2C), C68(H68A,H68B,H68C)
6.b Ternary CH refined with riding coordinates:
 C13(H13), C15(H15), C18(H18), C19(H19), C23(H23), C25(H25), C28(H28),
 C30(H30), C45(H45), C47(H47), C50(H50), C52(H52), C55(H55), C56(H56), C59(H59),
  C63(H63)
6.c Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C16(H16A,H16B), C17(H17A,H17B), C24(H24A,H24B), C26(H26A,
 H26B), C27(H27A,H27B), C46(H46A,H46B), C48(H48A,H48B), C49(H49A,H49B),
 C57(H57A,H57B), C58(H58A,H58B), C60(H60A,H60B)
6.d Aromatic/amide H refined with riding coordinates:
 C8(H8), C10(H10), C12(H12), C33(H33), C40(H40), C42(H42), C44(H44), C65(H65)
6.e Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C29(H29A,H29B,
 H29C), C32(H32A,H32B,H32C), C51(H51A,H51B,H51C), C53(H53A,H53B,H53C), C54(H54A,
 H54B,H54C), C62(H62A,H62B,H62C), C64(H64A,H64B,H64C), C1(H1A,H1B,H1C), C3(H3A,
 H3B,H3C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.500000 0.500000 0.93343(2) 0.03457(11) Uani 1 2 d S T P . .
F1 F 0.7370(3) 0.45892(17) 1.1315(4) 0.0854(16) Uani 1 1 d . . . . .
F2 F 0.6849(3) 0.41159(13) 1.1984(4) 0.0826(14) Uani 1 1 d . . . . .
F3 F 0.6534(3) 0.50350(16) 1.2516(3) 0.0804(13) Uani 1 1 d . . . . .
F4 F 0.7346(4) 0.46223(19) 1.3204(5) 0.109(2) Uani 1 1 d . . . . .
F5 F 0.5165(4) 0.46285(14) 1.2996(4) 0.0817(16) Uani 1 1 d . . . . .
F6 F 0.5949(5) 0.42232(19) 1.3601(6) 0.118(2) Uani 1 1 d . . . . .
F7 F 0.5951(6) 0.4767(3) 1.4197(5) 0.146(3) Uani 1 1 d . . . . .
F8 F 0.7048(4) 0.56096(16) 0.7035(4) 0.0966(19) Uani 1 1 d . . . . .
F9 F 0.7014(4) 0.52156(14) 0.5911(4) 0.099(2) Uani 1 1 d . . . . .
F10 F 0.5232(3) 0.53708(16) 0.5833(4) 0.096(2) Uani 1 1 d . . . . .
F11 F 0.5527(4) 0.58246(13) 0.6741(4) 0.0964(19) Uani 1 1 d . . . . .
F12 F 0.6770(6) 0.60055(18) 0.5397(4) 0.131(3) Uani 1 1 d . . . . .
F13 F 0.5543(6) 0.6023(3) 0.4966(7) 0.161(4) Uani 1 1 d . . . . .
F14 F 0.6306(6) 0.5598(2) 0.4476(4) 0.130(3) Uani 1 1 d . . . . .
O1 O 0.4384(3) 0.44609(9) 0.9938(3) 0.0392(8) Uani 1 1 d . . . . .
O2 O 0.5870(2) 0.47952(9) 1.0630(3) 0.0368(8) Uani 1 1 d . . . . .
O3 O 0.4130(3) 0.54674(10) 0.8692(3) 0.0423(9) Uani 1 1 d . . . . .
O4 O 0.5815(3) 0.52363(9) 0.8033(3) 0.0426(9) Uani 1 1 d . . . . .
O5 O 0.3030(4) 0.32831(14) 0.8700(4) 0.0709(18) Uani 1 1 d . . . . .
O6 O 0.3201(4) 0.32229(14) 1.2106(4) 0.0732(17) Uani 1 1 d . . . . .
O7 O 0.2931(4) 0.65533(14) 0.5789(4) 0.0668(14) Uani 1 1 d . . . . .
O8 O 0.2833(4) 0.67245(16) 0.9089(4) 0.0759(19) Uani 1 1 d D . . . .
C4 C 0.6674(5) 0.4469(2) 1.1764(5) 0.0554(16) Uani 1 1 d . . . . .
C5 C 0.6608(5) 0.4677(2) 1.2711(6) 0.067(2) Uani 1 1 d . . . . .
C6 C 0.5911(6) 0.4568(2) 1.3373(6) 0.071(2) Uani 1 1 d . . . . .
C7 C 0.4095(5) 0.38666(15) 1.0435(4) 0.0481(15) Uani 1 1 d . . . . .
C8 C 0.3916(5) 0.36887(16) 1.1274(5) 0.0533(17) Uani 1 1 d . . . . .
H8 H 0.413469 0.377198 1.187239 0.064 Uiso 1 1 calc R U . . .
C9 C 0.3392(6) 0.33743(18) 1.1231(5) 0.063(2) Uani 1 1 d . . . . .
C10 C 0.3103(6) 0.32510(18) 1.0343(5) 0.057(2) Uani 1 1 d . . . . .
H10 H 0.275768 0.304136 1.031008 0.069 Uiso 1 1 calc R U . . .
C11 C 0.3323(6) 0.34387(17) 0.9488(5) 0.0598(19) Uani 1 1 d . . . . .
C12 C 0.3812(5) 0.37521(17) 0.9560(5) 0.0590(19) Uani 1 1 d . . . . .
H12 H 0.394792 0.388569 0.899553 0.071 Uiso 1 1 calc R U . . .
C13 C 0.2659(6) 0.2914(2) 1.2150(6) 0.075(3) Uani 1 1 d . . . . .
H13 H 0.220998 0.293673 1.164600 0.090 Uiso 1 1 calc R U . . .
C14 C 0.3189(7) 0.2569(2) 1.1947(8) 0.088(3) Uani 1 1 d . . . . .
H14A H 0.281008 0.235678 1.189984 0.106 Uiso 1 1 calc R U . . .
H14B H 0.348867 0.259528 1.132424 0.106 Uiso 1 1 calc R U . . .
C15 C 0.3827(10) 0.2509(4) 1.2754(14) 0.139(4) Uani 1 1 d . U . . .
H15 H 0.422150 0.272020 1.275386 0.167 Uiso 1 1 calc R U . . .
C16 C 0.3434(9) 0.2492(4) 1.3708(9) 0.113(4) Uani 1 1 d . U . . .
H16A H 0.388115 0.246381 1.420190 0.136 Uiso 1 1 calc R U . . .
H16B H 0.306754 0.227529 1.373919 0.136 Uiso 1 1 calc R U . . .
C17 C 0.2894(8) 0.2835(4) 1.3951(7) 0.117(5) Uani 1 1 d . . . . .
H17A H 0.259905 0.279807 1.457365 0.141 Uiso 1 1 calc R U . . .
H17B H 0.327129 0.304674 1.402124 0.141 Uiso 1 1 calc R U . . .
C18 C 0.2243(8) 0.2910(4) 1.3158(7) 0.107(4) Uani 1 1 d . . . . .
H18 H 0.187681 0.269036 1.315355 0.128 Uiso 1 1 calc R U . . .
C19 C 0.1644(15) 0.3218(6) 1.3413(17) 0.185(6) Uani 1 1 d . U . . .
H19 H 0.129040 0.314697 1.398082 0.222 Uiso 1 1 calc R U . . .
C20 C 0.1070(10) 0.3310(5) 1.2555(12) 0.147(6) Uani 1 1 d D U . . .
H20A H 0.076217 0.309353 1.235163 0.220 Uiso 1 1 calc R U . . .
H20B H 0.141430 0.339915 1.201717 0.220 Uiso 1 1 calc R U . . .
H20C H 0.066595 0.349774 1.274701 0.220 Uiso 1 1 calc R U . . .
C21 C 0.2063(13) 0.3623(6) 1.3603(16) 0.186(6) Uani 1 1 d D U . . .
H21A H 0.168764 0.380885 1.334117 0.278 Uiso 1 1 calc R U . . .
H21B H 0.261334 0.363708 1.328168 0.278 Uiso 1 1 calc R U . . .
H21C H 0.213621 0.366097 1.429772 0.278 Uiso 1 1 calc R U . . .
C22 C 0.4351(9) 0.2165(4) 1.2446(14) 0.140(4) Uani 1 1 d . U . . .
H22A H 0.396566 0.196152 1.233827 0.210 Uiso 1 1 calc R U . . .
H22B H 0.475130 0.210260 1.295896 0.210 Uiso 1 1 calc R U . . .
H22C H 0.466071 0.221650 1.184961 0.210 Uiso 1 1 calc R U . . .
C23 C 0.3299(6) 0.34228(19) 0.7728(5) 0.061(2) Uani 1 1 d . . . . .
H23 H 0.325780 0.369242 0.772891 0.073 Uiso 1 1 calc R U . . .
C24 C 0.4177(6) 0.33185(18) 0.7519(5) 0.061(2) Uani 1 1 d . . . . .
H24A H 0.454640 0.340513 0.804746 0.073 Uiso 1 1 calc R U . . .
H24B H 0.436185 0.343701 0.691476 0.073 Uiso 1 1 calc R U . . .
C25 C 0.4278(7) 0.2906(2) 0.7415(7) 0.080(3) Uani 1 1 d . . . . .
H25 H 0.413065 0.278873 0.804361 0.096 Uiso 1 1 calc R U . . .
C26 C 0.3664(8) 0.2778(3) 0.6653(8) 0.096(3) Uani 1 1 d . . . . .
H26A H 0.382195 0.288765 0.602657 0.115 Uiso 1 1 calc R U . . .
H26B H 0.371730 0.251247 0.658560 0.115 Uiso 1 1 calc R U . . .
C27 C 0.2786(7) 0.2866(2) 0.6862(6) 0.079(3) Uani 1 1 d . . . . .
H27A H 0.260391 0.273717 0.745169 0.095 Uiso 1 1 calc R U . . .
H27B H 0.242444 0.278514 0.632084 0.095 Uiso 1 1 calc R U . . .
C28 C 0.2676(6) 0.3274(2) 0.7008(6) 0.074(2) Uani 1 1 d . . . . .
H28 H 0.282671 0.338759 0.637603 0.088 Uiso 1 1 calc R U . . .
C29 C 0.5213(8) 0.2811(3) 0.7155(11) 0.114(4) Uani 1 1 d . . . . .
H29A H 0.534191 0.289910 0.650496 0.171 Uiso 1 1 calc R U . . .
H29B H 0.528970 0.254793 0.717630 0.171 Uiso 1 1 calc R U . . .
H29C H 0.559384 0.292516 0.762127 0.171 Uiso 1 1 calc R U . . .
C30 C 0.1757(8) 0.3362(4) 0.7169(8) 0.099(3) Uani 1 1 d . . . . .
H30 H 0.154166 0.322339 0.773672 0.118 Uiso 1 1 calc R U . . .
C31 C 0.1185(9) 0.3282(6) 0.6261(15) 0.175(8) Uani 1 1 d . U . . .
H31A H 0.152386 0.322493 0.568904 0.262 Uiso 1 1 d R U . . .
H31B H 0.080236 0.348253 0.611294 0.262 Uiso 1 1 d R U . . .
H31C H 0.085396 0.306913 0.644684 0.262 Uiso 1 1 d R U . . .
C32 C 0.1632(10) 0.3759(5) 0.7339(15) 0.146(6) Uani 1 1 d . . . . .
H32A H 0.177860 0.381735 0.800768 0.220 Uiso 1 1 calc R U . . .
H32B H 0.103968 0.382187 0.722016 0.220 Uiso 1 1 calc R U . . .
H32C H 0.199442 0.389646 0.689934 0.220 Uiso 1 1 calc R U . . .
C33 C 0.6430(4) 0.47398(17) 0.7210(5) 0.0436(13) Uani 1 1 d . . . . .
H33 H 0.670435 0.467012 0.662999 0.052 Uiso 1 1 calc R U . . .
C34 C 0.6222(4) 0.50980(14) 0.7357(4) 0.0371(12) Uani 1 1 d . . . . .
C35 C 0.6542(4) 0.53732(17) 0.6613(5) 0.0459(14) Uani 1 1 d . . . . .
C36 C 0.5865(6) 0.5580(2) 0.6099(6) 0.067(2) Uani 1 1 d . . . . .
C37 C 0.6159(7) 0.5797(2) 0.5192(6) 0.075(2) Uani 1 1 d . . . . .
C38 C 0.3764(4) 0.55278(15) 0.7922(4) 0.0395(12) Uani 1 1 d . . . . .
C39 C 0.3489(4) 0.59128(15) 0.7736(4) 0.0420(13) Uani 1 1 d . . . . .
C40 C 0.3369(4) 0.61366(15) 0.8517(5) 0.0467(14) Uani 1 1 d . . . . .
H40 H 0.349355 0.605466 0.915090 0.056 Uiso 1 1 calc R U . . .
C41 C 0.3066(5) 0.64812(17) 0.8367(5) 0.0533(17) Uani 1 1 d . . . . .
C42 C 0.2917(5) 0.66098(18) 0.7427(5) 0.0526(17) Uani 1 1 d . . . . .
H42 H 0.271665 0.684892 0.732831 0.063 Uiso 1 1 calc R U . . .
C43 C 0.3064(5) 0.63883(18) 0.6658(5) 0.0523(16) Uani 1 1 d . . . . .
C44 C 0.3344(4) 0.60364(18) 0.6783(4) 0.0508(15) Uani 1 1 d . . . . .
H44 H 0.343567 0.588257 0.624402 0.061 Uiso 1 1 calc R U . . .
C45 C 0.2945(5) 0.63448(19) 0.4944(5) 0.0589(18) Uani 1 1 d . . . . .
H45 H 0.345446 0.618529 0.495229 0.071 Uiso 1 1 calc R U . . .
C46 C 0.2148(6) 0.6109(2) 0.4895(7) 0.071(2) Uani 1 1 d . . . . .
H46A H 0.210742 0.596133 0.548887 0.085 Uiso 1 1 calc R U . . .
H46B H 0.219337 0.594185 0.433886 0.085 Uiso 1 1 calc R U . . .
C47 C 0.1327(6) 0.6341(3) 0.4786(8) 0.082(3) Uani 1 1 d . . . . .
H47 H 0.127906 0.649026 0.538572 0.099 Uiso 1 1 calc R U . . .
C48 C 0.1396(8) 0.6594(3) 0.3980(9) 0.098(3) Uani 1 1 d . . . . .
H48A H 0.089884 0.675644 0.398557 0.118 Uiso 1 1 calc R U . . .
H48B H 0.138428 0.645643 0.336783 0.118 Uiso 1 1 calc R U . . .
C49 C 0.2199(6) 0.6824(2) 0.4008(7) 0.075(2) Uani 1 1 d . . . . .
H49A H 0.222233 0.697231 0.341341 0.090 Uiso 1 1 calc R U . . .
H49B H 0.216088 0.699210 0.456264 0.090 Uiso 1 1 calc R U . . .
C50 C 0.3015(6) 0.6612(2) 0.4091(6) 0.070(2) Uani 1 1 d . . . . .
H50 H 0.308605 0.646754 0.348613 0.084 Uiso 1 1 calc R U . . .
C51 C 0.0584(8) 0.6098(4) 0.4771(11) 0.128(5) Uani 1 1 d . . . . .
H51A H 0.058558 0.595722 0.417153 0.193 Uiso 1 1 calc R U . . .
H51B H 0.006630 0.624205 0.480620 0.193 Uiso 1 1 calc R U . . .
H51C H 0.060967 0.593341 0.532441 0.193 Uiso 1 1 calc R U . . .
C52 C 0.3796(7) 0.6862(3) 0.4196(7) 0.087(3) Uani 1 1 d . . . . .
H52 H 0.366586 0.703167 0.473850 0.104 Uiso 1 1 calc R U . . .
C53 C 0.4568(8) 0.6683(4) 0.4452(10) 0.113(4) Uani 1 1 d . . . . .
H53A H 0.476136 0.653509 0.390787 0.169 Uiso 1 1 calc R U . . .
H53B H 0.447002 0.652693 0.501354 0.169 Uiso 1 1 calc R U . . .
H53C H 0.499972 0.686281 0.461042 0.169 Uiso 1 1 calc R U . . .
C54 C 0.3928(11) 0.7100(4) 0.3293(12) 0.153(7) Uani 1 1 d . . . . .
H54A H 0.438689 0.727223 0.341288 0.229 Uiso 1 1 calc R U . . .
H54B H 0.340706 0.723291 0.315184 0.229 Uiso 1 1 calc R U . . .
H54C H 0.407419 0.694680 0.274154 0.229 Uiso 1 1 calc R U . . .
C55 C 0.3138(7) 0.6663(2) 1.0052(6) 0.079(3) Uani 1 1 d D . . . .
H55 H 0.310494 0.639942 1.021143 0.095 Uiso 1 1 calc R U . . .
C56 C 0.2539(7) 0.6877(2) 1.0707(6) 0.080(3) Uani 1 1 d D . . . .
H56 H 0.269683 0.682449 1.139078 0.096 Uiso 1 1 calc R U . . .
C57 C 0.2607(9) 0.7282(2) 1.0558(6) 0.093(4) Uani 1 1 d . . . . .
H57A H 0.240681 0.734442 0.990242 0.111 Uiso 1 1 calc R U . . .
H57B H 0.224191 0.740755 1.103078 0.111 Uiso 1 1 calc R U . . .
C58 C 0.3474(9) 0.7403(3) 1.0675(9) 0.104(4) Uani 1 1 d . . . . .
H58A H 0.364003 0.737083 1.135891 0.125 Uiso 1 1 calc R U . . .
H58B H 0.350164 0.766461 1.052876 0.125 Uiso 1 1 calc R U . . .
C59 C 0.4112(9) 0.7205(3) 1.0038(8) 0.103(4) Uani 1 1 d . . . . .
H59 H 0.395681 0.725492 0.935072 0.123 Uiso 1 1 calc R U . . .
C60 C 0.4045(7) 0.6800(3) 1.0196(7) 0.087(3) Uani 1 1 d D . . . .
H60A H 0.423326 0.674125 1.085876 0.105 Uiso 1 1 calc R U . . .
H60B H 0.442426 0.667422 0.973835 0.105 Uiso 1 1 calc R U . . .
C61 C 0.5068(12) 0.7323(5) 1.0179(10) 0.148(6) Uani 1 1 d . . . . .
H61A H 0.544097 0.724159 0.965842 0.222 Uiso 1 1 d R U . . .
H61B H 0.527556 0.723069 1.079752 0.222 Uiso 1 1 d R U . . .
H61C H 0.506106 0.758809 1.019562 0.222 Uiso 1 1 d R U . . .
C62 C 0.1510(11) 0.6340(4) 1.0635(15) 0.149(6) Uani 1 1 d . . . . .
H62A H 0.188323 0.621971 1.017235 0.224 Uiso 1 1 calc R U . . .
H62B H 0.092174 0.627912 1.048938 0.224 Uiso 1 1 calc R U . . .
H62C H 0.164812 0.625989 1.129045 0.224 Uiso 1 1 calc R U . . .
C63 C 0.1632(10) 0.6756(3) 1.0562(8) 0.113(5) Uani 1 1 d . . . . .
H63 H 0.144997 0.683287 0.990276 0.135 Uiso 1 1 calc R U . . .
C64 C 0.0992(10) 0.6921(5) 1.1314(10) 0.149(7) Uani 1 1 d . . . . .
H64A H 0.041218 0.687322 1.110072 0.223 Uiso 1 1 calc R U . . .
H64B H 0.108120 0.718235 1.136015 0.223 Uiso 1 1 calc R U . . .
H64C H 0.108334 0.680996 1.194728 0.223 Uiso 1 1 calc R U . . .
C65 C 0.5362(5) 0.42081(15) 1.1059(5) 0.0468(14) Uani 1 1 d . . . . .
H65 H 0.548326 0.400276 1.144662 0.056 Uiso 1 1 calc R U . . .
C66 C 0.5915(4) 0.45022(14) 1.1079(4) 0.0380(12) Uani 1 1 d . . . . .
C67 C 0.4630(4) 0.42073(14) 1.0484(4) 0.0426(13) Uani 1 1 d . . . . .
N1 N 0.1869(10) 0.4516(5) 1.0183(12) 0.137(6) Uani 0.5 1 d D U P A -1
C1 C 0.2343(12) 0.4621(6) 0.9307(13) 0.100(6) Uani 0.5 1 d D U P A -1
H1A H 0.229834 0.442929 0.882255 0.150 Uiso 0.5 1 calc R U P A -1
H1B H 0.293784 0.465915 0.947260 0.150 Uiso 0.5 1 calc R U P A -1
H1C H 0.210674 0.484565 0.904473 0.150 Uiso 0.5 1 calc R U P A -1
C2 C 0.2454(15) 0.4518(9) 1.1034(16) 0.157(11) Uani 0.5 1 d D U P A -1
H2A H 0.262480 0.476744 1.116793 0.236 Uiso 0.5 1 d R U P A -1
H2B H 0.295330 0.437354 1.087423 0.236 Uiso 0.5 1 d R U P A -1
H2C H 0.217740 0.441604 1.160533 0.236 Uiso 0.5 1 d R U P A -1
C3 C 0.1123(9) 0.4753(5) 1.0321(14) 0.087(5) Uani 0.5 1 d D U P A -1
H3A H 0.125233 0.499615 1.008521 0.131 Uiso 0.5 1 calc R U P A -1
H3B H 0.098082 0.476396 1.100881 0.131 Uiso 0.5 1 calc R U P A -1
H3C H 0.064249 0.465456 0.996050 0.131 Uiso 0.5 1 calc R U P A -1
C68 C 0.1562(19) 0.4127(5) 1.008(2) 0.194(12) Uani 0.5 1 d D U P A -1
H68A H 0.205649 0.396763 1.007251 0.291 Uiso 0.5 1 d R U P A -1
H68B H 0.125829 0.410362 0.946451 0.291 Uiso 0.5 1 d R U P A -1
H68C H 0.118789 0.405863 1.061031 0.291 Uiso 0.5 1 d R U P A -1


_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 O1 2.373(4) . ?
Eu1 O1 2.373(4) 2_665 ?
Eu1 O2 2.387(4) 2_665 ?
Eu1 O2 2.387(4) . ?
Eu1 O3 2.384(4) 2_665 ?
Eu1 O3 2.384(4) . ?
Eu1 O4 2.384(4) . ?
Eu1 O4 2.384(4) 2_665 ?
F1 C4 1.342(9) . ?
F2 C4 1.371(8) . ?
F3 C5 1.356(10) . ?
F4 C5 1.369(9) . ?
F5 C6 1.311(10) . ?
F6 C6 1.314(10) . ?
F7 C6 1.362(11) . ?
F8 C35 1.323(8) . ?
F9 C35 1.359(8) . ?
F10 C36 1.318(10) . ?
F11 C36 1.379(10) . ?
F12 C37 1.270(10) . ?
F13 C37 1.323(13) . ?
F14 C37 1.257(11) . ?
O1 C67 1.267(7) . ?
O2 C66 1.252(6) . ?
O3 C38 1.234(7) . ?
O4 C34 1.247(7) . ?
O5 C11 1.318(9) . ?
O5 C23 1.504(9) . ?
O6 C9 1.370(8) . ?
O6 C13 1.433(8) . ?
O7 C43 1.367(8) . ?
O7 C45 1.402(9) . ?
O8 C41 1.395(8) . ?
O8 C55 1.438(10) . ?
C4 C5 1.524(11) . ?
C4 C66 1.537(9) . ?
C5 C6 1.493(13) . ?
C7 C8 1.366(9) . ?
C7 C12 1.360(9) . ?
C7 C67 1.521(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.430(9) . ?
C9 C10 1.390(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.418(9) . ?
C11 C12 1.399(9) . ?
C12 H12 0.9500 . ?
C13 H13 1.0000 . ?
C13 C14 1.552(14) . ?
C13 C18 1.545(14) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.524(18) . ?
C15 H15 1.0000 . ?
C15 C16 1.46(2) . ?
C15 C22 1.58(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.57(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.532(14) . ?
C18 H18 1.0000 . ?
C18 C19 1.52(2) . ?
C19 H19 1.0000 . ?
C19 C20 1.54(3) . ?
C19 C21 1.66(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23 1.0000 . ?
C23 C24 1.473(13) . ?
C23 C28 1.507(11) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.542(11) . ?
C25 H25 1.0000 . ?
C25 C26 1.511(13) . ?
C25 C29 1.565(16) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.459(16) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.533(13) . ?
C28 H28 1.0000 . ?
C28 C30 1.508(16) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30 1.0000 . ?
C30 C31 1.58(2) . ?
C30 C32 1.50(2) . ?
C31 H31A 0.9798 . ?
C31 H31B 0.9802 . ?
C31 H31C 0.9798 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33 0.9500 . ?
C33 C34 1.381(9) . ?
C33 C38 1.431(8) 2_665 ?
C34 C35 1.535(8) . ?
C35 C36 1.497(11) . ?
C36 C37 1.563(11) . ?
C38 C39 1.512(8) . ?
C39 C40 1.376(8) . ?
C39 C44 1.416(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.379(8) . ?
C41 C42 1.407(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.364(9) . ?
C43 C44 1.386(9) . ?
C44 H44 0.9500 . ?
C45 H45 1.0000 . ?
C45 C46 1.537(12) . ?
C45 C50 1.544(10) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.565(12) . ?
C47 H47 1.0000 . ?
C47 C48 1.462(14) . ?
C47 C51 1.482(16) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.531(15) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.518(12) . ?
C50 H50 1.0000 . ?
C50 C52 1.553(14) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52 1.0000 . ?
C52 C53 1.437(16) . ?
C52 C54 1.544(15) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55 1.0000 . ?
C55 C56 1.534(10) . ?
C55 C60 1.537(14) . ?
C56 H56 1.0000 . ?
C56 C57 1.515(12) . ?
C56 C63 1.519(18) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.454(17) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C58 C59 1.528(16) . ?
C59 H59 1.0000 . ?
C59 C60 1.520(15) . ?
C59 C61 1.59(2) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9801 . ?
C61 H61C 0.9799 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C62 C63 1.552(18) . ?
C63 H63 1.0000 . ?
C63 C64 1.577(16) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65 0.9500 . ?
C65 C66 1.397(9) . ?
C65 C67 1.406(10) . ?
N1 C1 1.480(13) . ?
N1 C2 1.500(13) . ?
N1 C3 1.483(12) . ?
N1 C68 1.526(13) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9803 . ?
C2 H2B 0.9799 . ?
C2 H2C 0.9799 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C68 H68A 0.9804 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9798 . ?

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
O1 Eu1 O1 138.74(18) . 2_665 ?
O1 Eu1 O2 72.86(13) 2_665 2_665 ?
O1 Eu1 O2 72.86(13) . . ?
O1 Eu1 O2 76.39(13) 2_665 . ?
O1 Eu1 O2 76.39(13) . 2_665 ?
O1 Eu1 O3 120.27(16) 2_665 2_665 ?
O1 Eu1 O3 76.06(14) 2_665 . ?
O1 Eu1 O3 120.27(16) . . ?
O1 Eu1 O3 76.06(14) . 2_665 ?
O1 Eu1 O4 74.67(13) 2_665 . ?
O1 Eu1 O4 142.89(12) . . ?
O1 Eu1 O4 74.67(13) . 2_665 ?
O1 Eu1 O4 142.89(12) 2_665 2_665 ?
O2 Eu1 O2 82.42(19) . 2_665 ?
O3 Eu1 O2 147.67(13) . . ?
O3 Eu1 O2 73.56(13) 2_665 . ?
O3 Eu1 O2 73.56(13) . 2_665 ?
O3 Eu1 O2 147.67(13) 2_665 2_665 ?
O3 Eu1 O3 136.14(19) 2_665 . ?
O3 Eu1 O4 76.36(15) . . ?
O3 Eu1 O4 70.77(13) . 2_665 ?
O3 Eu1 O4 76.37(15) 2_665 2_665 ?
O3 Eu1 O4 70.77(13) 2_665 . ?
O4 Eu1 O2 139.93(13) 2_665 . ?
O4 Eu1 O2 139.92(13) . 2_665 ?
O4 Eu1 O2 111.91(15) 2_665 2_665 ?
O4 Eu1 O2 111.91(15) . . ?
O4 Eu1 O4 81.7(2) . 2_665 ?
C67 O1 Eu1 135.0(4) . . ?
C66 O2 Eu1 133.0(4) . . ?
C38 O3 Eu1 136.5(3) . . ?
C34 O4 Eu1 134.2(3) . . ?
C11 O5 C23 119.5(5) . . ?
C9 O6 C13 119.8(6) . . ?
C43 O7 C45 119.2(5) . . ?
C41 O8 C55 118.3(5) . . ?
F1 C4 F2 104.6(6) . . ?
F1 C4 C5 106.8(7) . . ?
F1 C4 C66 109.2(5) . . ?
F2 C4 C5 107.7(6) . . ?
F2 C4 C66 111.8(6) . . ?
C5 C4 C66 116.0(6) . . ?
F3 C5 F4 108.5(7) . . ?
F3 C5 C4 109.1(6) . . ?
F3 C5 C6 108.9(8) . . ?
F4 C5 C4 107.2(7) . . ?
F4 C5 C6 106.5(7) . . ?
C6 C5 C4 116.3(7) . . ?
F5 C6 F6 107.7(8) . . ?
F5 C6 F7 106.4(8) . . ?
F5 C6 C5 112.0(7) . . ?
F6 C6 F7 108.9(8) . . ?
F6 C6 C5 112.1(8) . . ?
F7 C6 C5 109.5(8) . . ?
C8 C7 C67 118.5(5) . . ?
C12 C7 C8 122.7(6) . . ?
C12 C7 C67 118.8(5) . . ?
C7 C8 H8 120.7 . . ?
C7 C8 C9 118.5(6) . . ?
C9 C8 H8 120.7 . . ?
O6 C9 C8 115.1(6) . . ?
O6 C9 C10 125.2(6) . . ?
C10 C9 C8 119.7(6) . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.9(6) . . ?
C11 C10 H10 120.1 . . ?
O5 C11 C10 113.1(6) . . ?
O5 C11 C12 128.1(6) . . ?
C12 C11 C10 118.8(6) . . ?
C7 C12 C11 120.3(6) . . ?
C7 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
O6 C13 H13 109.2 . . ?
O6 C13 C14 109.0(8) . . ?
O6 C13 C18 107.4(7) . . ?
C14 C13 H13 109.2 . . ?
C18 C13 H13 109.2 . . ?
C18 C13 C14 112.8(8) . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C15 C14 C13 110.2(10) . . ?
C15 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C14 C15 H15 107.5 . . ?
C14 C15 C22 105.5(13) . . ?
C16 C15 C14 112.8(12) . . ?
C16 C15 H15 107.5 . . ?
C16 C15 C22 115.6(14) . . ?
C22 C15 H15 107.5 . . ?
C15 C16 H16A 109.0 . . ?
C15 C16 H16B 109.0 . . ?
C15 C16 C17 113.0(10) . . ?
H16A C16 H16B 107.8 . . ?
C17 C16 H16A 109.0 . . ?
C17 C16 H16B 109.0 . . ?
C16 C17 H17A 109.4 . . ?
C16 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 C16 111.1(11) . . ?
C18 C17 H17A 109.4 . . ?
C18 C17 H17B 109.4 . . ?
C13 C18 H18 104.3 . . ?
C17 C18 C13 111.3(10) . . ?
C17 C18 H18 104.3 . . ?
C19 C18 C13 118.0(13) . . ?
C19 C18 C17 112.9(13) . . ?
C19 C18 H18 104.3 . . ?
C18 C19 H19 109.6 . . ?
C18 C19 C20 110.9(17) . . ?
C18 C19 C21 117.5(17) . . ?
C20 C19 H19 109.6 . . ?
C20 C19 C21 99.1(16) . . ?
C21 C19 H19 109.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C15 C22 H22A 109.5 . . ?
C15 C22 H22B 109.5 . . ?
C15 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 H23 108.8 . . ?
O5 C23 C28 106.4(6) . . ?
C24 C23 O5 110.6(7) . . ?
C24 C23 H23 108.8 . . ?
C24 C23 C28 113.2(7) . . ?
C28 C23 H23 108.8 . . ?
C23 C24 H24A 109.2 . . ?
C23 C24 H24B 109.2 . . ?
C23 C24 C25 112.0(7) . . ?
H24A C24 H24B 107.9 . . ?
C25 C24 H24A 109.2 . . ?
C25 C24 H24B 109.2 . . ?
C24 C25 H25 108.9 . . ?
C24 C25 C29 110.0(8) . . ?
C26 C25 C24 108.0(9) . . ?
C26 C25 H25 108.9 . . ?
C26 C25 C29 112.1(9) . . ?
C29 C25 H25 108.9 . . ?
C25 C26 H26A 108.8 . . ?
C25 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C27 C26 C25 113.8(9) . . ?
C27 C26 H26A 108.8 . . ?
C27 C26 H26B 108.8 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 C28 110.9(8) . . ?
H27A C27 H27B 108.1 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C23 C28 C27 111.8(8) . . ?
C23 C28 H28 105.7 . . ?
C23 C28 C30 117.1(9) . . ?
C27 C28 H28 105.7 . . ?
C30 C28 C27 110.0(9) . . ?
C30 C28 H28 105.7 . . ?
C25 C29 H29A 109.5 . . ?
C25 C29 H29B 109.5 . . ?
C25 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30 109.5 . . ?
C28 C30 C31 113.3(11) . . ?
C31 C30 H30 109.5 . . ?
C32 C30 C28 111.3(10) . . ?
C32 C30 H30 109.5 . . ?
C32 C30 C31 103.5(13) . . ?
C30 C31 H31A 111.7 . . ?
C30 C31 H31B 112.2 . . ?
C30 C31 H31C 104.4 . . ?
H31A C31 H31B 109.4 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 H33 119.6 . . ?
C34 C33 C38 120.8(5) . 2_665 ?
C38 C33 H33 119.6 2_665 . ?
O4 C34 C33 128.9(5) . . ?
O4 C34 C35 113.7(5) . . ?
C33 C34 C35 117.4(5) . . ?
F8 C35 F9 105.4(6) . . ?
F8 C35 C34 110.0(5) . . ?
F8 C35 C36 107.9(6) . . ?
F9 C35 C34 112.2(5) . . ?
F9 C35 C36 105.8(6) . . ?
C36 C35 C34 115.0(6) . . ?
F10 C36 F11 105.7(8) . . ?
F10 C36 C35 112.2(6) . . ?
F10 C36 C37 107.7(7) . . ?
F11 C36 C35 107.8(7) . . ?
F11 C36 C37 107.2(7) . . ?
C35 C36 C37 115.6(8) . . ?
F12 C37 F13 103.4(9) . . ?
F12 C37 C36 111.1(7) . . ?
F13 C37 C36 107.2(9) . . ?
F14 C37 F12 113.0(10) . . ?
F14 C37 F13 108.7(9) . . ?
F14 C37 C36 112.8(7) . . ?
O3 C38 C33 124.8(5) . 2_665 ?
O3 C38 C39 117.0(5) . . ?
C33 C38 C39 118.2(5) 2_665 . ?
C40 C39 C38 118.2(5) . . ?
C40 C39 C44 121.1(5) . . ?
C44 C39 C38 120.7(5) . . ?
C39 C40 H40 120.4 . . ?
C39 C40 C41 119.1(6) . . ?
C41 C40 H40 120.4 . . ?
O8 C41 C42 113.6(5) . . ?
C40 C41 O8 125.5(6) . . ?
C40 C41 C42 120.7(6) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 C41 119.4(6) . . ?
C43 C42 H42 120.3 . . ?
O7 C43 C44 125.4(6) . . ?
C42 C43 O7 113.2(6) . . ?
C42 C43 C44 121.4(6) . . ?
C39 C44 H44 120.9 . . ?
C43 C44 C39 118.1(6) . . ?
C43 C44 H44 120.9 . . ?
O7 C45 H45 109.2 . . ?
O7 C45 C46 109.7(7) . . ?
O7 C45 C50 106.7(6) . . ?
C46 C45 H45 109.2 . . ?
C46 C45 C50 112.9(7) . . ?
C50 C45 H45 109.2 . . ?
C45 C46 H46A 109.2 . . ?
C45 C46 H46B 109.2 . . ?
C45 C46 C47 112.0(7) . . ?
H46A C46 H46B 107.9 . . ?
C47 C46 H46A 109.2 . . ?
C47 C46 H46B 109.2 . . ?
C46 C47 H47 106.7 . . ?
C48 C47 C46 111.3(9) . . ?
C48 C47 H47 106.7 . . ?
C48 C47 C51 115.9(10) . . ?
C51 C47 C46 109.1(9) . . ?
C51 C47 H47 106.7 . . ?
C47 C48 H48A 108.9 . . ?
C47 C48 H48B 108.9 . . ?
C47 C48 C49 113.5(9) . . ?
H48A C48 H48B 107.7 . . ?
C49 C48 H48A 108.9 . . ?
C49 C48 H48B 108.9 . . ?
C48 C49 H49A 108.5 . . ?
C48 C49 H49B 108.5 . . ?
H49A C49 H49B 107.5 . . ?
C50 C49 C48 114.9(8) . . ?
C50 C49 H49A 108.5 . . ?
C50 C49 H49B 108.5 . . ?
C45 C50 H50 107.9 . . ?
C45 C50 C52 111.6(7) . . ?
C49 C50 C45 109.1(7) . . ?
C49 C50 H50 107.9 . . ?
C49 C50 C52 112.1(8) . . ?
C52 C50 H50 107.9 . . ?
C47 C51 H51A 109.5 . . ?
C47 C51 H51B 109.5 . . ?
C47 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52 106.3 . . ?
C53 C52 C50 115.1(10) . . ?
C53 C52 H52 106.3 . . ?
C53 C52 C54 110.4(11) . . ?
C54 C52 C50 111.9(10) . . ?
C54 C52 H52 106.3 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O8 C55 H55 110.0 . . ?
O8 C55 C56 105.0(7) . . ?
O8 C55 C60 112.4(8) . . ?
C56 C55 H55 110.0 . . ?
C56 C55 C60 109.3(8) . . ?
C60 C55 H55 110.0 . . ?
C55 C56 H56 107.7 . . ?
C57 C56 C55 112.8(8) . . ?
C57 C56 H56 107.7 . . ?
C57 C56 C63 110.1(8) . . ?
C63 C56 C55 110.7(9) . . ?
C63 C56 H56 107.7 . . ?
C56 C57 H57A 109.4 . . ?
C56 C57 H57B 109.4 . . ?
H57A C57 H57B 108.0 . . ?
C58 C57 C56 110.9(8) . . ?
C58 C57 H57A 109.4 . . ?
C58 C57 H57B 109.4 . . ?
C57 C58 H58A 108.7 . . ?
C57 C58 H58B 108.7 . . ?
C57 C58 C59 114.3(10) . . ?
H58A C58 H58B 107.6 . . ?
C59 C58 H58A 108.7 . . ?
C59 C58 H58B 108.7 . . ?
C58 C59 H59 107.5 . . ?
C58 C59 C61 115.3(12) . . ?
C60 C59 C58 110.1(10) . . ?
C60 C59 H59 107.5 . . ?
C60 C59 C61 108.7(11) . . ?
C61 C59 H59 107.5 . . ?
C55 C60 H60A 109.2 . . ?
C55 C60 H60B 109.2 . . ?
C59 C60 C55 111.9(9) . . ?
C59 C60 H60A 109.2 . . ?
C59 C60 H60B 109.2 . . ?
H60A C60 H60B 107.9 . . ?
C59 C61 H61A 113.5 . . ?
C59 C61 H61B 109.3 . . ?
C59 C61 H61C 105.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.4 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C63 C62 H62A 109.5 . . ?
C63 C62 H62B 109.5 . . ?
C63 C62 H62C 109.5 . . ?
C56 C63 C62 113.7(10) . . ?
C56 C63 H63 107.9 . . ?
C56 C63 C64 114.0(12) . . ?
C62 C63 H63 107.9 . . ?
C62 C63 C64 105.2(13) . . ?
C64 C63 H63 107.9 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 H65 119.0 . . ?
C66 C65 C67 121.9(5) . . ?
C67 C65 H65 119.0 . . ?
O2 C66 C4 114.9(5) . . ?
O2 C66 C65 129.0(6) . . ?
C65 C66 C4 116.1(5) . . ?
O1 C67 C7 114.5(5) . . ?
O1 C67 C65 126.2(5) . . ?
C65 C67 C7 119.1(5) . . ?
C1 N1 C2 109.3(12) . . ?
C1 N1 C3 110.7(11) . . ?
C1 N1 C68 109.4(12) . . ?
C2 N1 C68 106.0(12) . . ?
C3 N1 C2 112.8(12) . . ?
C3 N1 C68 108.4(12) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 H2A 108.9 . . ?
N1 C2 H2B 108.6 . . ?
N1 C2 H2C 110.9 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.4 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C68 H68A 108.3 . . ?
N1 C68 H68B 108.8 . . ?
N1 C68 H68C 111.3 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 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 O1 C67 C7 -163.4(4) . . . . ?
Eu1 O1 C67 C65 12.3(9) . . . . ?
Eu1 O2 C66 C4 170.6(4) . . . . ?
Eu1 O2 C66 C65 -11.3(9) . . . . ?
Eu1 O3 C38 C33 18.7(10) . . . 2_665 ?
Eu1 O3 C38 C39 -162.5(4) . . . . ?
Eu1 O4 C34 C33 -9.7(10) . . . . ?
Eu1 O4 C34 C35 171.8(4) . . . . ?
F1 C4 C5 F3 61.0(8) . . . . ?
F1 C4 C5 F4 -56.4(8) . . . . ?
F1 C4 C5 C6 -175.4(6) . . . . ?
F1 C4 C66 O2 -44.8(8) . . . . ?
F1 C4 C66 C65 136.9(6) . . . . ?
F2 C4 C5 F3 172.9(6) . . . . ?
F2 C4 C5 F4 55.5(8) . . . . ?
F2 C4 C5 C6 -63.5(9) . . . . ?
F2 C4 C66 O2 -160.1(6) . . . . ?
F2 C4 C66 C65 21.6(8) . . . . ?
F3 C5 C6 F5 59.5(9) . . . . ?
F3 C5 C6 F6 -179.3(7) . . . . ?
F3 C5 C6 F7 -58.3(9) . . . . ?
F4 C5 C6 F5 176.3(7) . . . . ?
F4 C5 C6 F6 -62.5(10) . . . . ?
F4 C5 C6 F7 58.5(10) . . . . ?
F8 C35 C36 F10 -166.3(7) . . . . ?
F8 C35 C36 F11 -50.3(7) . . . . ?
F8 C35 C36 C37 69.6(8) . . . . ?
F9 C35 C36 F10 81.3(8) . . . . ?
F9 C35 C36 F11 -162.8(6) . . . . ?
F9 C35 C36 C37 -42.8(8) . . . . ?
F10 C36 C37 F12 179.9(9) . . . . ?
F10 C36 C37 F13 67.6(10) . . . . ?
F10 C36 C37 F14 -52.0(12) . . . . ?
F11 C36 C37 F12 66.6(11) . . . . ?
F11 C36 C37 F13 -45.8(10) . . . . ?
F11 C36 C37 F14 -165.3(9) . . . . ?
O3 C38 C39 C40 -23.5(9) . . . . ?
O3 C38 C39 C44 157.7(6) . . . . ?
O4 C34 C35 F8 60.2(8) . . . . ?
O4 C34 C35 F9 177.2(6) . . . . ?
O4 C34 C35 C36 -61.8(8) . . . . ?
O5 C11 C12 C7 -176.9(9) . . . . ?
O5 C23 C24 C25 65.5(8) . . . . ?
O5 C23 C28 C27 -70.8(10) . . . . ?
O5 C23 C28 C30 57.5(10) . . . . ?
O6 C9 C10 C11 177.9(9) . . . . ?
O6 C13 C14 C15 65.8(10) . . . . ?
O6 C13 C18 C17 -67.7(12) . . . . ?
O6 C13 C18 C19 65.2(13) . . . . ?
O7 C43 C44 C39 176.9(7) . . . . ?
O7 C45 C46 C47 65.5(9) . . . . ?
O7 C45 C50 C49 -68.6(9) . . . . ?
O7 C45 C50 C52 55.8(9) . . . . ?
O8 C41 C42 C43 -175.5(8) . . . . ?
O8 C55 C56 C57 -66.2(12) . . . . ?
O8 C55 C56 C63 57.6(10) . . . . ?
O8 C55 C60 C59 61.5(9) . . . . ?
C4 C5 C6 F5 -64.3(10) . . . . ?
C4 C5 C6 F6 56.9(10) . . . . ?
C4 C5 C6 F7 177.9(7) . . . . ?
C5 C4 C66 O2 75.9(7) . . . . ?
C5 C4 C66 C65 -102.4(7) . . . . ?
C7 C8 C9 O6 -176.4(7) . . . . ?
C7 C8 C9 C10 2.1(13) . . . . ?
C8 C7 C12 C11 -0.6(13) . . . . ?
C8 C7 C67 O1 -139.0(7) . . . . ?
C8 C7 C67 C65 45.0(9) . . . . ?
C8 C9 C10 C11 -0.4(14) . . . . ?
C9 O6 C13 C14 82.7(9) . . . . ?
C9 O6 C13 C18 -154.8(9) . . . . ?
C9 C10 C11 O5 177.5(9) . . . . ?
C9 C10 C11 C12 -1.7(13) . . . . ?
C10 C11 C12 C7 2.3(13) . . . . ?
C11 O5 C23 C24 73.7(9) . . . . ?
C11 O5 C23 C28 -163.0(8) . . . . ?
C12 C7 C8 C9 -1.6(12) . . . . ?
C12 C7 C67 O1 40.8(9) . . . . ?
C12 C7 C67 C65 -135.2(7) . . . . ?
C13 O6 C9 C8 178.0(8) . . . . ?
C13 O6 C9 C10 -0.3(14) . . . . ?
C13 C14 C15 C16 55.5(13) . . . . ?
C13 C14 C15 C22 -177.5(10) . . . . ?
C13 C18 C19 C20 41.5(19) . . . . ?
C13 C18 C19 C21 -71(2) . . . . ?
C14 C13 C18 C17 52.4(11) . . . . ?
C14 C13 C18 C19 -174.7(11) . . . . ?
C14 C15 C16 C17 -56.2(14) . . . . ?
C15 C16 C17 C18 53.5(13) . . . . ?
C16 C17 C18 C13 -50.6(12) . . . . ?
C16 C17 C18 C19 174.0(12) . . . . ?
C17 C18 C19 C20 173.7(12) . . . . ?
C17 C18 C19 C21 61(2) . . . . ?
C18 C13 C14 C15 -53.4(11) . . . . ?
C22 C15 C16 C17 -177.6(10) . . . . ?
C23 O5 C11 C10 -172.5(8) . . . . ?
C23 O5 C11 C12 6.7(14) . . . . ?
C23 C24 C25 C26 55.1(10) . . . . ?
C23 C24 C25 C29 177.8(8) . . . . ?
C23 C28 C30 C31 165.6(11) . . . . ?
C23 C28 C30 C32 49.5(13) . . . . ?
C24 C23 C28 C27 50.9(9) . . . . ?
C24 C23 C28 C30 179.2(7) . . . . ?
C24 C25 C26 C27 -57.7(11) . . . . ?
C25 C26 C27 C28 56.5(11) . . . . ?
C26 C27 C28 C23 -51.1(10) . . . . ?
C26 C27 C28 C30 176.9(8) . . . . ?
C27 C28 C30 C31 -65.3(13) . . . . ?
C27 C28 C30 C32 178.6(11) . . . . ?
C28 C23 C24 C25 -53.8(8) . . . . ?
C29 C25 C26 C27 -179.1(9) . . . . ?
C33 C34 C35 F8 -118.5(7) . . . . ?
C33 C34 C35 F9 -1.5(9) . . . . ?
C33 C34 C35 C36 119.5(7) . . . . ?
C33 C38 C39 C40 155.3(6) 2_665 . . . ?
C33 C38 C39 C44 -23.5(9) 2_665 . . . ?
C34 C35 C36 F10 -43.1(9) . . . . ?
C34 C35 C36 F11 72.8(7) . . . . ?
C34 C35 C36 C37 -167.2(6) . . . . ?
C35 C36 C37 F12 -53.7(11) . . . . ?
C35 C36 C37 F13 -166.0(8) . . . . ?
C35 C36 C37 F14 74.4(11) . . . . ?
C38 C33 C34 O4 -5.3(11) 2_665 . . . ?
C38 C33 C34 C35 173.2(6) 2_665 . . . ?
C38 C39 C40 C41 -175.8(6) . . . . ?
C38 C39 C44 C43 177.8(6) . . . . ?
C39 C40 C41 O8 173.1(7) . . . . ?
C39 C40 C41 C42 -3.0(12) . . . . ?
C40 C39 C44 C43 -1.0(11) . . . . ?
C40 C41 C42 C43 1.0(13) . . . . ?
C41 O8 C55 C56 -159.9(8) . . . . ?
C41 O8 C55 C60 81.4(10) . . . . ?
C41 C42 C43 O7 -177.1(7) . . . . ?
C41 C42 C43 C44 1.0(12) . . . . ?
C42 C43 C44 C39 -1.0(12) . . . . ?
C43 O7 C45 C46 72.1(8) . . . . ?
C43 O7 C45 C50 -165.3(7) . . . . ?
C44 C39 C40 C41 3.0(11) . . . . ?
C45 O7 C43 C42 -171.4(7) . . . . ?
C45 O7 C43 C44 10.6(12) . . . . ?
C45 C46 C47 C48 52.4(12) . . . . ?
C45 C46 C47 C51 -178.4(10) . . . . ?
C45 C50 C52 C53 46.4(12) . . . . ?
C45 C50 C52 C54 173.6(9) . . . . ?
C46 C45 C50 C49 51.9(9) . . . . ?
C46 C45 C50 C52 176.4(7) . . . . ?
C46 C47 C48 C49 -51.5(13) . . . . ?
C47 C48 C49 C50 53.5(13) . . . . ?
C48 C49 C50 C45 -51.4(11) . . . . ?
C48 C49 C50 C52 -175.5(9) . . . . ?
C49 C50 C52 C53 169.2(9) . . . . ?
C49 C50 C52 C54 -63.6(12) . . . . ?
C50 C45 C46 C47 -53.3(10) . . . . ?
C51 C47 C48 C49 -177.0(11) . . . . ?
C55 O8 C41 C40 18.5(13) . . . . ?
C55 O8 C41 C42 -165.1(9) . . . . ?
C55 C56 C57 C58 -54.7(11) . . . . ?
C55 C56 C63 C62 50.9(13) . . . . ?
C55 C56 C63 C64 171.4(9) . . . . ?
C56 C55 C60 C59 -54.7(10) . . . . ?
C56 C57 C58 C59 54.5(12) . . . . ?
C57 C56 C63 C62 176.3(11) . . . . ?
C57 C56 C63 C64 -63.2(11) . . . . ?
C57 C58 C59 C60 -54.6(13) . . . . ?
C57 C58 C59 C61 -177.9(10) . . . . ?
C58 C59 C60 C55 54.0(12) . . . . ?
C60 C55 C56 C57 54.6(11) . . . . ?
C60 C55 C56 C63 178.4(8) . . . . ?
C61 C59 C60 C55 -178.9(9) . . . . ?
C63 C56 C57 C58 -178.9(9) . . . . ?
C66 C4 C5 F3 -61.1(8) . . . . ?
C66 C4 C5 F4 -178.4(6) . . . . ?
C66 C4 C5 C6 62.6(9) . . . . ?
C66 C65 C67 O1 -0.4(10) . . . . ?
C66 C65 C67 C7 175.0(6) . . . . ?
C67 C7 C8 C9 178.2(7) . . . . ?
C67 C7 C12 C11 179.6(7) . . . . ?
C67 C65 C66 O2 0.2(10) . . . . ?
C67 C65 C66 C4 178.2(6) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 190 electrons were 
found in a volume of 1760Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
4[C2H4O] per formula unit 
which account for 192 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.038 0.267 0.480 31.5 0.0 ?
2 0.000 0.500 -0.938 815.8 94.7 '5.25 CH4O'
3 -0.038 0.733 0.480 31.5 0.0 ?
4 0.500 0.000 -0.596 815.8 94.0 '5.25 CH4O'
5 0.462 0.767 0.520 31.5 0.0 ?
6 0.538 0.233 0.520 31.5 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.918(13)
2 0.082(13)

# start Validation Reply Form
_vrf_PLAT910_mo_gt_1_0921_0m     
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         12 Note  
RESPONSE: These low angle reflections are blocked by the beamstop.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_mo_gt_2x_0918_0m
_database_code_depnum_ccdc_archive 'CCDC 2386518'
loop_
_audit_author_name
_audit_author_address
'wenhua li'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-09-25 deposited with the CCDC.	2024-12-11 downloaded from the CCDC.
;
_audit_creation_date             2024-09-25
_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         '2(C128 H168 Cs1.333 Eu F28 O16), 2(C H4 O)'
_chemical_formula_sum            'C258 H344 Cs2 Eu2 F56 O34'
_chemical_formula_weight         5623.05
_chemical_absolute_configuration syn
_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 0.0033 0.0016 '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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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                   39.133(3)
_cell_length_b                   13.2872(11)
_cell_length_c                   27.8939(19)
_cell_angle_alpha                90
_cell_angle_beta                 94.471(3)
_cell_angle_gamma                90
_cell_volume                     14459.9(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9335
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.33
_cell_measurement_theta_min      2.76
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6453
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5808
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0710
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            356363
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.505
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD 1K area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.916
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                26665
_reflns_number_total             31499
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_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  (Sheldrick, 2015)'
_refine_diff_density_max         1.286
_refine_diff_density_min         -1.180
_refine_diff_density_rms         0.133
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.084(19)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1587
_refine_ls_number_reflns         31499
_refine_ls_number_restraints     6680
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0803
_refine_ls_restrained_S_all      1.098
_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)+(0.1263P)²+77.3492P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2186
_refine_ls_wR_factor_ref         0.2357
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.916(19)
 0.084(19)
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, All O(H) groups
3. Restrained distances
 H50A-H50A_$3
 2.15 with sigma of 0.01
 C79-C01W
 1.57 with sigma of 0.01
 C03I-C020
 1.54 with sigma of 0.01
 C25-C02T = C02T-C020
 1.54 with sigma of 0.01
 C01N-C010 = C036-C010 = C27-C036
 1.54 with sigma of 0.01
 O6-C23
 2.15 with sigma of 0.01
 C041-C03M \\sim C03M-C02U \\sim C043-C041 \\sim C03B-C02U \\sim C03B-C016
\\sim C4-C016 \\sim C4-C041
 \\sim C03B-C02W \\sim C56-C02W \\sim C53-C02W \\sim C03S-C02V \\sim C32-C02V
\\sim C02V-C02Q \\sim C02Q-
 C00V \\sim C134-C00V \\sim C03Z-C02G \\sim C02G-C01P \\sim C02Q-C01P \\sim
C134-C03Z \\sim C68-C03Z ~
 C01Y-C00R \\sim C45-C01Y \\sim C45-C02B \\sim C34-C01V \\sim C21-C01V \\sim
C21-C023 \\sim C03X-C023 ~
 C03X-C01D \\sim C12-C01D \\sim C12-C01V \\sim C03X-C01W \\sim C02C-C01W \\sim
C79-C01W \\sim C85-C03Y
 \\sim C22-C03Y \\sim C03Y-C02N \\sim C02N-C027 \\sim C02F-C027 \\sim C03G-C02F
\\sim C03T-C03G \\sim C30-
 C03T \\sim C30-C02N \\sim C03V-C03G \\sim C49_$1-C20_$1 \\sim C20_$1-C15_$1
\\sim C7_$1-C5_$1 ~
 C7_$1-C49_$1 \\sim C8_$1-C7_$1 \\sim C92_$1-C8_$1 \\sim C8_$1-C46_$1 \\sim
C5_$1-C23_$1 ~
 C72_$1-C15_$1 \\sim C23_$1-C15_$1 \\sim C16_$1-C14_$1 \\sim C24_$1-C14_$1
\\sim C6_$1-C14_$1 ~
 C6_$1-C3_$1 \\sim C6_$1-C17_$1 \\sim C18_$1-C17_$1 \\sim C9_$1-C18_$1 \\sim
C9_$1-C10_$1 ~
 C3_$1-C10_$1 \\sim C9_$1-C13_$1 \\sim C03I_$1-C020_$1 \\sim C02T_$1-C020_$1
\\sim C25_$1-
 C02T_$1 \\sim C48_$1-C1_$1 \\sim C40_$1-C1_$1 \\sim C1_$1-C01T_$1 \\sim
C038_$1-C01T_$1 ~
 C40_$1-C19_$1 \\sim C38_$1-C11_$1 \\sim C2_$1-C11_$1 \\sim C11_$1-C01M_$1
\\sim C038_$1-
 C01M_$1 \\sim C19_$1-C01M_$1 \\sim C35_$1-C33_$1 \\sim C36_$1-C33_$1 \\sim
C33_$1-C26_$1 ~
 C26_$1-C03D_$1 \\sim C26_$1-C02L_$1 \\sim C03D_$1-C035_$1 \\sim C29_$1-C035_$1
\\sim C29_$1-
 C28_$1 \\sim C31_$1-C29_$1 \\sim C28_$1-C02L_$1 \\sim C01N_$1-C010_$1 \\sim
C036_$1-C010_$1 ~
 C27_$1-C036_$1
 with sigma of 0.005
 F19-C02B \\sim F20-C02B \\sim F21-C02B \\sim F17-C45 \\sim F18-C45 \\sim
F15-C01Y \\sim F16-C01Y ~
 F25-C00O \\sim F24-C00O \\sim F26-C01H \\sim F27-C01H \\sim F28-C01H \\sim
F23-C47 \\sim F22-C47 ~
 F12_$1-C25_$1 \\sim F13_$1-C25_$1 \\sim F11_$1-C02T_$1 \\sim F10_$1-C02T_$1
\\sim F14_$1-
 C25_$1 \\sim F9_$1-C020_$1 \\sim F8_$1-C020_$1 \\sim F2_$1-C010_$1 \\sim
F1_$1-C010_$1 \\sim F4_$1-
 C036_$1 \\sim F3_$1-C036_$1 \\sim F7_$1-C27_$1 \\sim F5_$1-C27_$1 \\sim
F6_$1-C27_$1
 with sigma of 0.005
 O12-C44 \\sim O12-C027 \\sim O11-C37 \\sim O11-C01D \\sim O16-C01A \\sim
O16-C016 \\sim O15-C00Q ~
 O15-C00V \\sim O6_$1-C5_$1 \\sim O6_$1-C03A_$1 \\sim O5_$1-C034_$1 \\sim
O5_$1-C3_$1 \\sim O1_$1-
 C03R_$1 \\sim O1_$1-C19_$1 \\sim O2_$1-C02L_$1 \\sim O2_$1-C03U_$1
 with sigma of 0.005
 C03I-C00T \\sim C029-C01N \\sim C037-C00R \\sim C011-C00U
 with sigma of 0.005
 C03C-C00U \\sim C037-C02M \\sim C029-C00M \\sim C00T-C00L
 with sigma of 0.005
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within -2.5A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within -2.5A
5. Others
 Fixed Sof: Cs3(0.33333) Cs1(0.33333) Cs2(0.33333)
6.a Riding coordinates:
 C043(H04A,H04B,H04C), C92(H92A,H92B,H92C), C72(H72A,H72B,H72C), C31(H31A,H31B,
 H31C), C35(H35A,H35B,H35C), C48(H48A,H48B,H48C), O17(H17), C50(H50A,H50B,H50C)
6.b Ternary CH refined with riding coordinates:
 C00V(H00V), C016(H016), C01D(H01D), C01M(H01M), C01V(H01V), C01W(H01W),
 C027(H027), C02L(H02M), C02N(H02N), C02Q(H02Q), C02V(H02V), C02W(H02W),
 C03B(H03B), C03G(H03G), C03X(H03X), C03Y(H03Y), C03Z(H03Z), C041(H041),
 C11(H11), C19(H19), C1(H1), C6(H6), C3(H3), C7(H7), C15(H15), C5(H5), C8(H8),
 C14(H14), C9(H9), C26(H26), C29(H29), C33(H33)
6.c Secondary CH2 refined with riding coordinates:
 C01P(H01A,H01C), C01T(H01E,H01F), C023(H02A,H02B), C02F(H02F,H02G), C02G(H02H,
 H02I), C02U(H02J,H02K), C035(H03N,H03O), C038(H03P,H03Q), C03D(H03R,H03S),
 C03M(H03A,H03C), C03T(H03H,H03I), C4(H4A,H4B), C134(H13A,H13B), C30(H30A,H30B),
  C12(H12A,H12B), C21(H21A,H21B), C40(H40A,H40B), C10(H10A,H10B), C17(H17A,
 H17B), C18(H18A,H18B), C20(H20A,H20B), C23(H23A,H23B), C49(H49A,H49B),
 C28(H28A,H28B)
6.d Aromatic/amide H refined with riding coordinates:
 C01B(H01B), C042(H042), C015(H015), C00T(H00T), C00U(H00U), C00X(H00X),
 C01K(H01K), C03F(H03M), C02S(H02S), C02R(H02R), C02A(H02L), C029(H029),
 C037(H037), C41(H41), C39(H39), C43(H43)
6.e Fitted hexagon refined as free rotating group:
 C00G(C01B,C01A,C042,C00Q,C015), C00X(C034,C01K,C033,C03F,C03A), C024(C02S,
 C03U,C02R,C03R,C02A)
6.f Idealised Me refined as rotating group:
 C02C(H02C,H02D,H02E), C03S(H03D,H03E,H03F), C03V(H03J,H03K,H03L), C53(H53A,
 H53B,H53C), C56(H56A,H56B,H56C), C32(H32A,H32B,H32C), C68(H68A,H68B,H68C),
 C22(H22A,H22B,H22C), C85(H85A,H85B,H85C), C34(H34A,H34B,H34C), C79(H79A,H79B,
 H79C), C38(H38A,H38B,H38C), C2(H2A,H2B,H2C), C46(H46A,H46B,H46C), C16(H16A,
 H16B,H16C), C24(H24A,H24B,H24C), C13(H13C,H13D,H13E), C36(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   mixed
_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
Eu1 Eu 0.500000 0.70181(8) 0.500000 0.0338(2) Uani 1 2 d S TU P B .
Eu2 Eu 0.500000 0.33447(8) 0.000000 0.0337(2) Uani 1 2 d S TU P A .
O8 O 0.5495(2) 0.4008(8) 0.0462(3) 0.047(2) Uani 1 1 d . U . . .
O3 O 0.5519(3) 0.2613(7) -0.0259(3) 0.050(2) Uani 1 1 d . U . . .
O4 O 0.5201(2) 0.4461(6) -0.0556(3) 0.0359(16) Uani 1 1 d . U . . .
O15 O 0.3280(2) 0.4810(7) 0.4591(2) 0.0498(18) Uani 1 1 d D U . . .
F15 F 0.4687(3) 0.9924(6) 0.4002(3) 0.075(2) Uani 1 1 d D U . . .
O9 O 0.4758(2) 0.5868(7) 0.5543(3) 0.0399(18) Uani 1 1 d . U . . .
O7 O 0.5154(2) 0.2160(9) 0.0610(3) 0.056(2) Uani 1 1 d . U . . .
O16 O 0.3625(3) 0.4541(9) 0.3013(3) 0.071(2) Uani 1 1 d D U . . .
C00G C 0.40343(16) 0.5912(6) 0.4051(2) 0.0382(19) Uani 1 1 d G U . . .
C01B C 0.39680(18) 0.5553(7) 0.3585(2) 0.049(2) Uani 1 1 d G U . . .
H01B H 0.411479 0.573165 0.334293 0.059 Uiso 1 1 calc R U . . .
C01A C 0.3687(2) 0.4933(7) 0.34732(18) 0.049(2) Uani 1 1 d DG U . . .
C042 C 0.34723(17) 0.4672(6) 0.3827(2) 0.046(2) Uani 1 1 d G U . . .
H042 H 0.328021 0.424819 0.375094 0.055 Uiso 1 1 calc R U . . .
C00Q C 0.35386(17) 0.5031(6) 0.4293(2) 0.040(2) Uani 1 1 d DG U . . .
C015 C 0.38196(18) 0.5651(6) 0.44053(18) 0.0385(19) Uani 1 1 d G U . . .
H015 H 0.386491 0.589632 0.472377 0.046 Uiso 1 1 calc R U . . .
F2 F 0.5811(2) 0.5588(8) -0.1268(3) 0.070(2) Uani 1 1 d . U . . .
F3 F 0.4929(3) 0.5431(9) -0.1428(4) 0.087(3) Uani 1 1 d . U . . .
C00L C 0.5663(4) 0.3775(11) 0.0853(5) 0.057(3) Uani 1 1 d D U . . .
C00M C 0.5766(4) 0.2941(9) -0.0500(5) 0.047(2) Uani 1 1 d D U . . .
O2 O 0.6670(3) 0.1172(11) 0.0464(3) 0.085(3) Uani 1 1 d . U . . .
C00O C 0.4681(3) 0.4939(9) 0.6545(5) 0.065(3) Uani 1 1 d D U . . .
O13 O 0.4846(2) 0.8167(7) 0.4375(3) 0.0437(18) Uani 1 1 d . U . . .
C00R C 0.4604(3) 0.8188(7) 0.4042(4) 0.040(2) Uani 1 1 d D U . . .
F4 F 0.5288(3) 0.4533(7) -0.1783(3) 0.086(3) Uani 1 1 d . U . . .
C00T C 0.5585(4) 0.2902(10) 0.1117(5) 0.060(3) Uani 1 1 d D U . . .
H00T H 0.571440 0.280129 0.141622 0.072 Uiso 1 1 calc R U . . .
C00U C 0.4251(3) 0.6606(8) 0.5777(4) 0.040(2) Uani 1 1 d D U . . .
H00U H 0.407141 0.650571 0.598267 0.048 Uiso 1 1 calc R U . . .
C00V C 0.3352(3) 0.4911(6) 0.5088(3) 0.045(2) Uani 1 1 d D U . . .
H00V H 0.359874 0.474387 0.517425 0.054 Uiso 1 1 calc R U . . .
C00X C 0.6508(2) 0.5647(10) 0.1269(2) 0.084(3) Uani 1 1 d G U . . .
H00X H 0.669459 0.607890 0.136548 0.101 Uiso 1 1 calc R U . . .
C034 C 0.6445(2) 0.5386(8) 0.0788(2) 0.074(3) Uani 1 1 d G U . . .
C01K C 0.6172(2) 0.4754(9) 0.0647(2) 0.064(3) Uani 1 1 d G U . . .
H01K H 0.612881 0.457564 0.031759 0.077 Uiso 1 1 calc R U . . .
C033 C 0.5964(2) 0.4382(9) 0.0987(3) 0.064(3) Uani 1 1 d G U . . .
C03F C 0.6027(2) 0.4642(8) 0.1468(2) 0.073(3) Uani 1 1 d G U . . .
H03M H 0.588472 0.438796 0.170038 0.087 Uiso 1 1 calc R U . . .
C03A C 0.6300(2) 0.5275(9) 0.1609(2) 0.089(3) Uani 1 1 d G U . . .
C010 C 0.5501(2) 0.5460(6) -0.1102(3) 0.052(3) Uani 1 1 d D U . . .
C011 C 0.4502(3) 0.5886(8) 0.5762(5) 0.040(2) Uani 1 1 d D U . . .
F24 F 0.4579(3) 0.5735(7) 0.6789(3) 0.079(3) Uani 1 1 d D U . . .
F1 F 0.5412(2) 0.6280(5) -0.0860(3) 0.058(2) Uani 1 1 d . U . . .
C016 C 0.3861(3) 0.4604(10) 0.2661(4) 0.063(3) Uani 1 1 d D U . . .
H016 H 0.392967 0.532369 0.262656 0.076 Uiso 1 1 calc R U . . .
F26 F 0.4878(4) 0.4111(10) 0.7262(5) 0.116(4) Uani 1 1 d D U . . .
F25 F 0.5009(2) 0.5057(9) 0.6461(4) 0.084(3) Uani 1 1 d D U . . .
F17 F 0.4842(4) 0.9981(10) 0.3100(5) 0.126(4) Uani 1 1 d D U . . .
C01D C 0.3495(3) 0.9263(7) 0.4154(3) 0.049(2) Uani 1 1 d D U . . .
H01D H 0.375074 0.930259 0.418164 0.059 Uiso 1 1 calc R U . . .
O12 O 0.3447(3) 0.9446(8) 0.6329(3) 0.070(2) Uani 1 1 d D U . . .
F16 F 0.4309(2) 0.9296(7) 0.3479(3) 0.075(2) Uani 1 1 d D U . . .
F8 F 0.5302(3) 0.0401(7) 0.1069(4) 0.097(3) Uani 1 1 d . U . . .
C01H C 0.4659(3) 0.4075(11) 0.6873(5) 0.087(4) Uani 1 1 d D U . . .
O11 O 0.3376(2) 0.9553(6) 0.4596(2) 0.0459(17) Uani 1 1 d D U . . .
O10 O 0.44824(18) 0.7738(6) 0.5243(3) 0.0355(16) Uani 1 1 d . U . . .
C01M C 0.7207(4) 0.1014(16) -0.1673(5) 0.100(3) Uani 1 1 d . U . . .
H01M H 0.739656 0.051052 -0.167281 0.120 Uiso 1 1 calc R U . . .
C01N C 0.5482(3) 0.4512(7) -0.0789(4) 0.040(2) Uani 1 1 d D U . . .
F9 F 0.5554(3) 0.1184(9) 0.1668(3) 0.092(3) Uani 1 1 d . U . . .
C01P C 0.2747(3) 0.4449(10) 0.5228(6) 0.075(3) Uani 1 1 d D U . . .
H01A H 0.268230 0.445631 0.487770 0.090 Uiso 1 1 calc R U . . .
H01C H 0.260046 0.395238 0.537842 0.090 Uiso 1 1 calc R U . . .
F28 F 0.4349(3) 0.3848(11) 0.7007(5) 0.120(4) Uani 1 1 d D U . . .
O14 O 0.45314(19) 0.6299(6) 0.4532(3) 0.0349(16) Uani 1 1 d . U . . .
C01T C 0.6843(6) -0.0129(16) -0.2208(8) 0.125(4) Uani 1 1 d . U . . .
H01E H 0.702702 -0.064085 -0.216231 0.150 Uiso 1 1 calc R U . . .
H01F H 0.672664 -0.021798 -0.253349 0.150 Uiso 1 1 calc R U . . .
C01V C 0.3001(3) 0.8045(9) 0.3904(5) 0.074(3) Uani 1 1 d D U . . .
H01V H 0.288652 0.818544 0.420549 0.088 Uiso 1 1 calc R U . . .
C01W C 0.3451(3) 1.1109(7) 0.3916(5) 0.062(3) Uani 1 1 d D U . . .
H01W H 0.332370 1.128648 0.420173 0.075 Uiso 1 1 calc R U . . .
C01Y C 0.4612(2) 0.9124(6) 0.3721(3) 0.059(2) Uani 1 1 d D U . . .
C020 C 0.5305(3) 0.1269(9) 0.1312(4) 0.086(3) Uani 1 1 d D U . . .
O5 O 0.6679(3) 0.5665(12) 0.0463(3) 0.082(3) Uani 1 1 d . U . . .
F11 F 0.4973(4) 0.2199(13) 0.1834(6) 0.153(5) Uani 1 1 d . U . . .
C023 C 0.2969(3) 0.9887(9) 0.3663(5) 0.065(3) Uani 1 1 d D U . . .
H02A H 0.284962 1.006848 0.395057 0.078 Uiso 1 1 calc R U . . .
H02B H 0.288903 1.034916 0.339958 0.078 Uiso 1 1 calc R U . . .
C024 C 0.6081(2) 0.2339(8) -0.0495(2) 0.059(2) Uani 1 1 d G U . . .
C02S C 0.61953(17) 0.2004(7) -0.00384(19) 0.063(3) Uani 1 1 d G U . . .
H02S H 0.606615 0.214700 0.022801 0.075 Uiso 1 1 calc R U . . .
C03U C 0.64987(19) 0.1460(8) 0.00284(19) 0.074(3) Uani 1 1 d G U . . .
C02R C 0.6688(2) 0.1251(9) -0.0361(2) 0.070(3) Uani 1 1 d G U . . .
H02R H 0.689501 0.087924 -0.031580 0.084 Uiso 1 1 calc R U . . .
C03R C 0.65732(18) 0.1586(7) -0.0818(2) 0.065(3) Uani 1 1 d G U . . .
C02A C 0.62698(18) 0.2129(7) -0.0885(2) 0.061(3) Uani 1 1 d G U . . .
H02L H 0.619164 0.235820 -0.119713 0.073 Uiso 1 1 calc R U . . .
F10 F 0.4714(4) 0.1287(14) 0.1248(5) 0.142(5) Uani 1 1 d . U . . .
C027 C 0.3222(3) 1.0249(9) 0.6378(4) 0.071(3) Uani 1 1 d D U . . .
H027 H 0.325475 1.073154 0.611005 0.085 Uiso 1 1 calc R U . . .
F27 F 0.4719(4) 0.3192(9) 0.6667(5) 0.124(4) Uani 1 1 d D U . . .
C029 C 0.5751(3) 0.3843(9) -0.0776(5) 0.046(2) Uani 1 1 d D U . . .
H029 H 0.593784 0.399232 -0.096167 0.055 Uiso 1 1 calc R U . . .
C02B C 0.4872(4) 0.8280(10) 0.3033(5) 0.123(5) Uani 1 1 d D U . . .
C02C C 0.3834(3) 1.1242(12) 0.4060(7) 0.083(5) Uani 1 1 d D U . . .
H02C H 0.393230 1.059350 0.416579 0.125 Uiso 1 1 calc R U . . .
H02D H 0.386433 1.172983 0.432305 0.125 Uiso 1 1 calc R U . . .
H02E H 0.394901 1.148602 0.378309 0.125 Uiso 1 1 calc R U . . .
C02F C 0.2857(3) 0.9835(11) 0.6302(5) 0.076(3) Uani 1 1 d D U . . .
H02F H 0.269371 1.040434 0.626712 0.091 Uiso 1 1 calc R U . . .
H02G H 0.283436 0.944051 0.600014 0.091 Uiso 1 1 calc R U . . .
C02G C 0.2691(4) 0.5494(9) 0.5439(6) 0.073(3) Uani 1 1 d D U . . .
H02H H 0.275814 0.548223 0.578819 0.088 Uiso 1 1 calc R U . . .
H02I H 0.244503 0.566736 0.539344 0.088 Uiso 1 1 calc R U . . .
F20 F 0.4558(5) 0.8127(14) 0.2820(6) 0.158(5) Uani 1 1 d D U . . .
C02L C 0.6497(3) 0.1250(14) 0.0883(4) 0.083(3) Uani 1 1 d . U . . .
H02M H 0.638245 0.192116 0.089281 0.099 Uiso 1 1 calc R U . . .
C02M C 0.4331(3) 0.6584(7) 0.4193(4) 0.0334(19) Uani 1 1 d D U . . .
C02N C 0.3298(4) 1.0819(11) 0.6852(4) 0.079(3) Uani 1 1 d D U . . .
H02N H 0.315106 1.143350 0.685456 0.095 Uiso 1 1 calc R U . . .
C02Q C 0.3124(3) 0.4144(7) 0.5319(5) 0.061(3) Uani 1 1 d D U . . .
H02Q H 0.318329 0.415936 0.567396 0.073 Uiso 1 1 calc R U . . .
C02T C 0.4979(4) 0.1349(12) 0.1579(5) 0.122(4) Uani 1 1 d D U . . .
C02U C 0.3600(3) 0.3131(8) 0.2232(5) 0.069(3) Uani 1 1 d D U . . .
H02J H 0.348577 0.288675 0.192472 0.083 Uiso 1 1 calc R U . . .
H02K H 0.344050 0.303298 0.248583 0.083 Uiso 1 1 calc R U . . .
C02V C 0.3174(4) 0.3063(8) 0.5147(6) 0.082(4) Uani 1 1 d D U . . .
H02V H 0.308427 0.301506 0.480191 0.098 Uiso 1 1 calc R U . . .
C02W C 0.3347(4) 0.4849(13) 0.2074(5) 0.088(4) Uani 1 1 d D U . . .
H02W H 0.317479 0.461702 0.229651 0.106 Uiso 1 1 calc R U . . .
O1 O 0.6733(3) 0.1473(8) -0.1243(3) 0.069(2) Uani 1 1 d . U . . .
C035 C 0.6624(4) -0.0721(17) 0.1373(6) 0.114(4) Uani 1 1 d . U . . .
H03N H 0.650671 -0.062023 0.167088 0.136 Uiso 1 1 calc R U . . .
H03O H 0.673009 -0.139732 0.138774 0.136 Uiso 1 1 calc R U . . .
C036 C 0.5251(3) 0.5407(7) -0.1554(3) 0.072(3) Uani 1 1 d D U . . .
C037 C 0.4355(3) 0.7482(8) 0.3920(5) 0.047(2) Uani 1 1 d D U . . .
H037 H 0.419667 0.759598 0.364905 0.056 Uiso 1 1 calc R U . . .
C038 C 0.6997(5) 0.0929(15) -0.2158(6) 0.108(4) Uani 1 1 d . U . . .
H03P H 0.681080 0.143587 -0.217716 0.130 Uiso 1 1 calc R U . . .
H03Q H 0.714543 0.105792 -0.242241 0.130 Uiso 1 1 calc R U . . .
C03B C 0.3678(3) 0.4251(9) 0.2187(4) 0.071(3) Uani 1 1 d D U . . .
H03B H 0.383301 0.435356 0.192186 0.086 Uiso 1 1 calc R U . . .
C03C C 0.4250(3) 0.7495(8) 0.5493(4) 0.036(2) Uani 1 1 d D U . . .
C03D C 0.6905(5) 0.0074(12) 0.1347(6) 0.099(4) Uani 1 1 d . U . . .
H03R H 0.703426 -0.006365 0.106289 0.119 Uiso 1 1 calc R U . . .
H03S H 0.706619 0.001796 0.163677 0.119 Uiso 1 1 calc R U . . .
C03G C 0.2763(4) 0.9166(12) 0.6719(4) 0.080(4) Uani 1 1 d D U . . .
H03G H 0.291531 0.856031 0.672283 0.096 Uiso 1 1 calc R U . . .
C03I C 0.5342(4) 0.2186(9) 0.0986(5) 0.063(3) Uani 1 1 d D U . . .
C03M C 0.3924(3) 0.2510(12) 0.2354(5) 0.075(3) Uani 1 1 d D U . . .
H03A H 0.407887 0.257699 0.209185 0.091 Uiso 1 1 calc R U . . .
H03C H 0.386105 0.179078 0.237870 0.091 Uiso 1 1 calc R U . . .
F21 F 0.4948(5) 0.7410(9) 0.3257(5) 0.138(4) Uani 1 1 d D U . . .
O6 O 0.6374(4) 0.5932(14) 0.1994(4) 0.118(3) Uani 1 1 d D U . . .
F18 F 0.5215(4) 0.9070(14) 0.3600(6) 0.135(4) Uani 1 1 d D U . . .
C03S C 0.2970(6) 0.2335(15) 0.5442(8) 0.114(7) Uani 1 1 d D U . . .
H03D H 0.307298 0.231379 0.577346 0.171 Uiso 1 1 calc R U . . .
H03E H 0.297538 0.166082 0.530043 0.171 Uiso 1 1 calc R U . . .
H03F H 0.273247 0.256663 0.543985 0.171 Uiso 1 1 calc R U . . .
C03T C 0.2842(3) 0.9720(14) 0.7197(5) 0.082(4) Uani 1 1 d D U . . .
H03H H 0.268248 1.029609 0.721271 0.099 Uiso 1 1 calc R U . . .
H03I H 0.280150 0.925873 0.746498 0.099 Uiso 1 1 calc R U . . .
C03V C 0.2392(4) 0.879(2) 0.6674(9) 0.138(8) Uani 1 1 d D U . . .
H03J H 0.228424 0.897505 0.635770 0.207 Uiso 1 1 calc R U . . .
H03K H 0.226618 0.910371 0.692561 0.207 Uiso 1 1 calc R U . . .
H03L H 0.238944 0.805907 0.671145 0.207 Uiso 1 1 calc R U . . .
C03X C 0.3356(2) 1.0025(7) 0.3775(4) 0.053(2) Uani 1 1 d D U . . .
H03X H 0.346804 0.987318 0.347268 0.063 Uiso 1 1 calc R U . . .
C03Y C 0.3677(4) 1.1122(17) 0.6925(5) 0.099(5) Uani 1 1 d D U . . .
H03Y H 0.381365 1.048523 0.694327 0.119 Uiso 1 1 calc R U . . .
C03Z C 0.2901(3) 0.6300(8) 0.5200(5) 0.067(3) Uani 1 1 d D U . . .
H03Z H 0.282909 0.632112 0.484802 0.081 Uiso 1 1 calc R U . . .
C041 C 0.4112(4) 0.2850(9) 0.2828(5) 0.076(3) Uani 1 1 d D U . . .
H041 H 0.394305 0.277601 0.307681 0.091 Uiso 1 1 calc R U . . .
C043 C 0.4439(4) 0.2312(17) 0.3036(10) 0.120(7) Uani 1 1 d D U . . .
H04A H 0.438228 0.164894 0.316206 0.180 Uiso 1 1 d R U . . .
H04B H 0.455648 0.271384 0.329256 0.180 Uiso 1 1 d R U . . .
H04C H 0.458868 0.222894 0.277296 0.180 Uiso 1 1 d R U . . .
F19 F 0.5068(5) 0.8384(13) 0.2666(6) 0.156(5) Uani 1 1 d D U . . .
Cs3 Cs 0.52225(8) 0.02323(17) -0.01427(9) 0.0505(6) Uani 0.3333 1 d . . P A -1
Cs1 Cs 0.52483(7) 0.39034(18) 0.52914(9) 0.0548(5) Uani 0.3333 1 d . . P B -1
C4 C 0.4183(3) 0.3980(9) 0.2796(6) 0.070(3) Uani 1 1 d D U . . .
H4A H 0.435095 0.409449 0.255374 0.084 Uiso 1 1 calc R U . . .
H4B H 0.428874 0.421560 0.311068 0.084 Uiso 1 1 calc R U . . .
C53 C 0.3388(6) 0.5989(13) 0.2128(9) 0.116(6) Uani 1 1 d D U . . .
H53A H 0.348273 0.614888 0.245410 0.173 Uiso 1 1 calc R U . . .
H53B H 0.316318 0.631266 0.206799 0.173 Uiso 1 1 calc R U . . .
H53C H 0.354267 0.623753 0.189467 0.173 Uiso 1 1 calc R U . . .
C56 C 0.3208(6) 0.462(2) 0.1557(6) 0.118(6) Uani 1 1 d D U . . .
H56A H 0.336426 0.415344 0.141018 0.177 Uiso 1 1 calc R U . . .
H56B H 0.319043 0.524355 0.137129 0.177 Uiso 1 1 calc R U . . .
H56C H 0.298117 0.430748 0.155976 0.177 Uiso 1 1 calc R U . . .
C32 C 0.3555(4) 0.2780(14) 0.5184(7) 0.097(6) Uani 1 1 d D U . . .
H32A H 0.365816 0.299242 0.489111 0.145 Uiso 1 1 calc R U . . .
H32B H 0.357881 0.204908 0.522142 0.145 Uiso 1 1 calc R U . . .
H32C H 0.367226 0.311654 0.546297 0.145 Uiso 1 1 calc R U . . .
C134 C 0.3275(3) 0.5965(7) 0.5272(5) 0.055(2) Uani 1 1 d D U . . .
H13A H 0.341715 0.645524 0.510783 0.066 Uiso 1 1 calc R U . . .
H13B H 0.334766 0.599393 0.561953 0.066 Uiso 1 1 calc R U . . .
C68 C 0.2854(5) 0.7347(10) 0.5417(7) 0.092(5) Uani 1 1 d D U . . .
H68A H 0.260867 0.750270 0.541225 0.138 Uiso 1 1 calc R U . . .
H68B H 0.296745 0.785022 0.522801 0.138 Uiso 1 1 calc R U . . .
H68C H 0.295497 0.735631 0.574961 0.138 Uiso 1 1 calc R U . . .
C30 C 0.3211(3) 1.0107(12) 0.7258(5) 0.075(3) Uani 1 1 d D U . . .
H30A H 0.336953 0.952593 0.726845 0.090 Uiso 1 1 calc R U . . .
H30B H 0.324604 1.046565 0.756919 0.090 Uiso 1 1 calc R U . . .
C22 C 0.3773(8) 1.171(2) 0.7390(7) 0.149(9) Uani 1 1 d D U . . .
H22A H 0.359642 1.221267 0.743694 0.223 Uiso 1 1 calc R U . . .
H22B H 0.399419 1.204127 0.736658 0.223 Uiso 1 1 calc R U . . .
H22C H 0.378923 1.124010 0.766248 0.223 Uiso 1 1 calc R U . . .
C85 C 0.3788(8) 1.171(2) 0.6493(7) 0.153(9) Uani 1 1 d D U . . .
H85A H 0.370316 1.137347 0.619520 0.229 Uiso 1 1 calc R U . . .
H85B H 0.403921 1.174602 0.650897 0.229 Uiso 1 1 calc R U . . .
H85C H 0.369421 1.239510 0.649782 0.229 Uiso 1 1 calc R U . . .
C12 C 0.3389(3) 0.8189(8) 0.4002(4) 0.058(3) Uani 1 1 d D U . . .
H12A H 0.350140 0.801300 0.370686 0.070 Uiso 1 1 calc R U . . .
H12B H 0.347426 0.771585 0.425783 0.070 Uiso 1 1 calc R U . . .
C21 C 0.2876(4) 0.8806(9) 0.3516(5) 0.075(3) Uani 1 1 d D U . . .
H21A H 0.298017 0.864247 0.321290 0.091 Uiso 1 1 calc R U . . .
H21B H 0.262434 0.874972 0.345529 0.091 Uiso 1 1 calc R U . . .
C34 C 0.2911(5) 0.6978(11) 0.3730(7) 0.098(6) Uani 1 1 d D U . . .
H34A H 0.302302 0.683908 0.343542 0.147 Uiso 1 1 calc R U . . .
H34B H 0.266174 0.692091 0.366480 0.147 Uiso 1 1 calc R U . . .
H34C H 0.298930 0.649223 0.397912 0.147 Uiso 1 1 calc R U . . .
C79 C 0.3340(6) 1.1858(13) 0.3514(6) 0.096(6) Uani 1 1 d D U . . .
H79A H 0.334840 1.254357 0.364312 0.144 Uiso 1 1 calc R U . . .
H79B H 0.310602 1.170241 0.338492 0.144 Uiso 1 1 calc R U . . .
H79C H 0.349590 1.180440 0.325599 0.144 Uiso 1 1 calc R U . . .
C11 C 0.7371(5) 0.2058(16) -0.1621(5) 0.115(5) Uani 1 1 d . U . . .
H11 H 0.719747 0.260887 -0.166368 0.138 Uiso 1 1 calc R U . . .
C19 C 0.6987(4) 0.0738(10) -0.1261(5) 0.081(3) Uani 1 1 d . U . . .
H19 H 0.713264 0.072206 -0.094976 0.098 Uiso 1 1 calc R U . . .
C1 C 0.6586(5) -0.0255(18) -0.1826(6) 0.124(5) Uani 1 1 d . U . . .
H1 H 0.638255 0.020158 -0.184722 0.149 Uiso 1 1 calc R U . . .
C40 C 0.6807(6) -0.0274(14) -0.1347(7) 0.113(4) Uani 1 1 d . U . . .
H40A H 0.666086 -0.041591 -0.108108 0.135 Uiso 1 1 calc R U . . .
H40B H 0.698016 -0.081645 -0.135364 0.135 Uiso 1 1 calc R U . . .
C38 C 0.7570(6) 0.210(3) -0.1126(6) 0.132(6) Uani 1 1 d . U . . .
H38A H 0.741332 0.197141 -0.087588 0.198 Uiso 1 1 calc R U . . .
H38B H 0.767306 0.276881 -0.107748 0.198 Uiso 1 1 calc R U . . .
H38C H 0.775105 0.158934 -0.110895 0.198 Uiso 1 1 calc R U . . .
C2 C 0.7636(6) 0.211(3) -0.1996(8) 0.153(7) Uani 1 1 d . U . . .
H2A H 0.785838 0.187388 -0.185303 0.229 Uiso 1 1 calc R U . . .
H2B H 0.765834 0.281002 -0.210300 0.229 Uiso 1 1 calc R U . . .
H2C H 0.756172 0.168751 -0.227163 0.229 Uiso 1 1 calc R U . . .
C6 C 0.6974(3) 0.5475(12) -0.0239(6) 0.093(3) Uani 1 1 d . U . . .
H6 H 0.692976 0.529238 -0.058597 0.112 Uiso 1 1 calc R U . . .
C10 C 0.6375(5) 0.6212(13) -0.0258(7) 0.103(4) Uani 1 1 d . U . . .
H10A H 0.632885 0.605762 -0.060471 0.123 Uiso 1 1 calc R U . . .
H10B H 0.615449 0.617588 -0.010656 0.123 Uiso 1 1 calc R U . . .
C3 C 0.6624(3) 0.5433(15) -0.0026(4) 0.087(3) Uani 1 1 d . U . . .
H3 H 0.652480 0.474284 -0.006639 0.104 Uiso 1 1 calc R U . . .
C17 C 0.7109(5) 0.6557(12) -0.0230(7) 0.105(4) Uani 1 1 d . U . . .
H17A H 0.717033 0.675582 0.010767 0.127 Uiso 1 1 calc R U . . .
H17B H 0.732106 0.657944 -0.040224 0.127 Uiso 1 1 calc R U . . .
C18 C 0.6853(5) 0.7317(18) -0.0460(7) 0.118(5) Uani 1 1 d . U . . .
H18A H 0.680190 0.715604 -0.080432 0.141 Uiso 1 1 calc R U . . .
H18B H 0.695156 0.800288 -0.043516 0.141 Uiso 1 1 calc R U . . .
C7 C 0.6168(4) 0.6821(15) 0.2670(7) 0.124(4) Uani 1 1 d . U . . .
H7 H 0.602148 0.669995 0.294222 0.149 Uiso 1 1 calc R U . . .
C15 C 0.6739(5) 0.5210(19) 0.2866(8) 0.131(5) Uani 1 1 d . U . . .
H15 H 0.689173 0.539052 0.260725 0.157 Uiso 1 1 calc R U . . .
C5 C 0.6173(4) 0.5838(15) 0.2383(6) 0.119(4) Uani 1 1 d . U . . .
H5 H 0.593607 0.561035 0.227639 0.143 Uiso 1 1 calc R U . . .
C8 C 0.5995(5) 0.7656(18) 0.2359(8) 0.136(6) Uani 1 1 d . U . . .
H8 H 0.615527 0.785803 0.211340 0.164 Uiso 1 1 calc R U . . .
C20 C 0.6682(6) 0.6187(17) 0.3139(8) 0.136(5) Uani 1 1 d . U . . .
H20A H 0.653723 0.601443 0.340315 0.163 Uiso 1 1 calc R U . . .
H20B H 0.690792 0.639233 0.329266 0.163 Uiso 1 1 calc R U . . .
C23 C 0.6389(5) 0.4970(17) 0.2608(7) 0.138(5) Uani 1 1 d D U . . .
H23A H 0.625045 0.462688 0.284113 0.165 Uiso 1 1 calc R U . . .
H23B H 0.642569 0.447993 0.234950 0.165 Uiso 1 1 calc R U . . .
C49 C 0.6523(5) 0.7123(18) 0.2892(8) 0.133(5) Uani 1 1 d . U . . .
H49A H 0.666801 0.736114 0.263911 0.159 Uiso 1 1 calc R U . . .
H49B H 0.650372 0.767096 0.312861 0.159 Uiso 1 1 calc R U . . .
C46 C 0.5630(6) 0.766(3) 0.2118(10) 0.180(10) Uani 1 1 d . U . . .
H46A H 0.546716 0.752398 0.235850 0.271 Uiso 1 1 calc R U . . .
H46B H 0.560941 0.714088 0.186783 0.271 Uiso 1 1 calc R U . . .
H46C H 0.558123 0.832130 0.197167 0.271 Uiso 1 1 calc R U . . .
C92 C 0.5912(8) 0.859(2) 0.2646(11) 0.172(9) Uani 1 1 d . U . . .
H92A H 0.586939 0.917114 0.243139 0.258 Uiso 1 1 d R U . . .
H92B H 0.610679 0.874134 0.287789 0.258 Uiso 1 1 d R U . . .
H92C H 0.570789 0.846444 0.281949 0.258 Uiso 1 1 d R U . . .
C72 C 0.6922(9) 0.436(2) 0.3154(13) 0.193(12) Uani 1 1 d . U . . .
H72A H 0.707512 0.462993 0.341822 0.289 Uiso 1 1 d R U . . .
H72B H 0.705782 0.400193 0.292752 0.289 Uiso 1 1 d R U . . .
H72C H 0.675802 0.389583 0.328332 0.289 Uiso 1 1 d R U . . .
C14 C 0.7221(4) 0.4678(15) -0.0018(7) 0.111(5) Uani 1 1 d . U . . .
H14 H 0.727603 0.482170 0.033111 0.133 Uiso 1 1 calc R U . . .
C16 C 0.7553(5) 0.465(3) -0.0277(9) 0.137(7) Uani 1 1 d . U . . .
H16A H 0.773429 0.432267 -0.006987 0.205 Uiso 1 1 calc R U . . .
H16B H 0.762309 0.533773 -0.034881 0.205 Uiso 1 1 calc R U . . .
H16C H 0.751410 0.426935 -0.057734 0.205 Uiso 1 1 calc R U . . .
C9 C 0.6524(5) 0.7274(14) -0.0199(8) 0.122(5) Uani 1 1 d . U . . .
H9 H 0.655778 0.749050 0.014478 0.146 Uiso 1 1 calc R U . . .
C24 C 0.7055(6) 0.3637(17) -0.0080(10) 0.135(7) Uani 1 1 d . U . . .
H24A H 0.706187 0.341673 -0.041442 0.203 Uiso 1 1 calc R U . . .
H24B H 0.681595 0.367496 0.000109 0.203 Uiso 1 1 calc R U . . .
H24C H 0.717996 0.315495 0.013359 0.203 Uiso 1 1 calc R U . . .
C13 C 0.6261(7) 0.792(2) -0.0495(10) 0.148(7) Uani 1 1 d . U . . .
H13C H 0.604183 0.756180 -0.053714 0.222 Uiso 1 1 calc R U . . .
H13D H 0.634400 0.805928 -0.081130 0.222 Uiso 1 1 calc R U . . .
H13E H 0.622820 0.855853 -0.032761 0.222 Uiso 1 1 calc R U . . .
F13 F 0.4585(4) 0.0622(15) 0.2076(6) 0.164(5) Uani 1 1 d . U . . .
F14 F 0.4993(6) -0.0351(15) 0.1802(7) 0.178(6) Uani 1 1 d . U . . .
F12 F 0.5152(5) 0.0720(19) 0.2313(7) 0.198(6) Uani 1 1 d . U . . .
C25 C 0.4909(4) 0.0558(14) 0.1957(7) 0.154(5) Uani 1 1 d D U . . .
F7 F 0.5251(4) 0.7160(9) -0.1733(4) 0.123(4) Uani 1 1 d . U . . .
F5 F 0.5044(4) 0.6162(11) -0.2282(4) 0.127(4) Uani 1 1 d . U . . .
F6 F 0.5574(4) 0.6138(11) -0.2144(4) 0.127(4) Uani 1 1 d . U . . .
C27 C 0.5287(3) 0.6249(8) -0.1922(4) 0.087(4) Uani 1 1 d D U . . .
C26 C 0.6764(4) 0.1148(11) 0.1312(5) 0.094(4) Uani 1 1 d . U . . .
H26 H 0.664607 0.128508 0.161053 0.112 Uiso 1 1 calc R U . . .
C28 C 0.6229(4) 0.0414(12) 0.0896(6) 0.101(4) Uani 1 1 d . U . . .
H28A H 0.607384 0.046373 0.059969 0.121 Uiso 1 1 calc R U . . .
H28B H 0.609003 0.054788 0.117096 0.121 Uiso 1 1 calc R U . . .
C29 C 0.6359(5) -0.0673(13) 0.0940(7) 0.117(5) Uani 1 1 d . U . . .
H29 H 0.648462 -0.081024 0.064791 0.141 Uiso 1 1 calc R U . . .
C33 C 0.7047(4) 0.1937(14) 0.1281(6) 0.109(5) Uani 1 1 d . U . . .
H33 H 0.715571 0.184359 0.097121 0.130 Uiso 1 1 calc R U . . .
C31 C 0.6080(7) -0.148(2) 0.0953(10) 0.150(9) Uani 1 1 d . U . . .
H31A H 0.590369 -0.125006 0.115957 0.224 Uiso 1 1 d R U . . .
H31B H 0.617909 -0.211176 0.107807 0.224 Uiso 1 1 d R U . . .
H31C H 0.597659 -0.158196 0.062547 0.224 Uiso 1 1 d R U . . .
C35 C 0.7329(6) 0.199(3) 0.1692(8) 0.152(8) Uani 1 1 d . U . . .
H35A H 0.723532 0.224805 0.198457 0.228 Uiso 1 1 d R U . . .
H35B H 0.751242 0.243995 0.160187 0.228 Uiso 1 1 d R U . . .
H35C H 0.742062 0.131485 0.175117 0.228 Uiso 1 1 d R U . . .
C36 C 0.6893(6) 0.2995(17) 0.1289(9) 0.130(7) Uani 1 1 d . U . . .
H36A H 0.666186 0.298764 0.112630 0.196 Uiso 1 1 calc R U . . .
H36B H 0.703746 0.346267 0.112287 0.196 Uiso 1 1 calc R U . . .
H36C H 0.688139 0.321323 0.162289 0.196 Uiso 1 1 calc R U . . .
C41 C 0.3819(3) 0.8581(8) 0.5023(4) 0.042(2) Uani 1 1 d . U . . .
H41 H 0.392697 0.844202 0.473671 0.051 Uiso 1 1 calc R U . . .
C39 C 0.3395(3) 0.9501(10) 0.5440(4) 0.052(2) Uani 1 1 d . U . . .
H39 H 0.320218 0.993879 0.542563 0.063 Uiso 1 1 calc R U . . .
C37 C 0.3538(3) 0.9187(9) 0.5022(3) 0.045(2) Uani 1 1 d D U . . .
C42 C 0.3943(3) 0.8165(9) 0.5474(4) 0.041(2) Uani 1 1 d . U . . .
C43 C 0.3814(3) 0.8437(12) 0.5893(5) 0.056(2) Uani 1 1 d . U . . .
H43 H 0.390306 0.815528 0.619045 0.067 Uiso 1 1 calc R U . . .
C44 C 0.3543(4) 0.9152(10) 0.5878(3) 0.057(2) Uani 1 1 d D U . . .
C45 C 0.4901(3) 0.9171(10) 0.3380(5) 0.100(4) Uani 1 1 d D U . . .
F23 F 0.4535(2) 0.4110(6) 0.5822(3) 0.062(2) Uani 1 1 d D U . . .
F22 F 0.41297(18) 0.4788(7) 0.6166(3) 0.065(2) Uani 1 1 d D U . . .
C47 C 0.4458(2) 0.4925(8) 0.6073(5) 0.051(2) Uani 1 1 d D U . . .
Cs2 Cs 0.52546(12) 1.0148(3) 0.48484(17) 0.0913(12) Uani 0.3333 1 d . . P B .
C48 C 0.6516(9) -0.1388(18) -0.1844(11) 0.162(8) Uani 1 1 d . U . . .
H48A H 0.668001 -0.178969 -0.164024 0.244 Uiso 1 1 d R U . . .
H48B H 0.650781 -0.163939 -0.217474 0.244 Uiso 1 1 d R U . . .
H48C H 0.628851 -0.144259 -0.172294 0.244 Uiso 1 1 d R U . . .
O17 O 0.5446(4) -0.3510(14) 0.0465(9) 0.158(8) Uani 1 1 d . U . . .
H17 H 0.547127 -0.424859 0.040890 0.237 Uiso 1 1 d R U . . .
C50 C 0.5282(6) -0.2584(15) 0.0503(3) 0.151(10) Uani 1 1 d . U . . .
H50A H 0.504020 -0.264035 0.038487 0.226 Uiso 1 1 d DR U . . .
H50B H 0.539480 -0.208125 0.031267 0.226 Uiso 1 1 d R U . . .
H50C H 0.529770 -0.237595 0.084147 0.226 Uiso 1 1 d 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 O9 2.397(8) . ?
Eu1 O9 2.397(8) 2_656 ?
Eu1 O13 2.359(9) . ?
Eu1 O13 2.359(9) 2_656 ?
Eu1 O10 2.386(8) 2_656 ?
Eu1 O10 2.386(7) . ?
Eu1 O14 2.369(8) . ?
Eu1 O14 2.369(8) 2_656 ?
Eu2 O8 2.409(9) . ?
Eu2 O8 2.409(9) 2_655 ?
Eu2 O3 2.413(9) . ?
Eu2 O3 2.413(9) 2_655 ?
Eu2 O4 2.327(8) . ?
Eu2 O4 2.327(8) 2_655 ?
Eu2 O7 2.362(9) 2_655 ?
Eu2 O7 2.362(9) . ?
O8 C00L 1.269(16) . ?
O3 C00M 1.296(16) . ?
O3 Cs3 3.394(10) . ?
O4 C01N 1.322(13) . ?
O15 C00Q 1.388(5) . ?
O15 C00V 1.400(6) . ?
F15 C01Y 1.338(5) . ?
F15 Cs2 3.212(11) 2_656 ?
O9 C011 1.215(13) . ?
O9 Cs1 3.496(9) 2_656 ?
O9 Cs1 3.346(9) . ?
O7 C03I 1.233(16) . ?
O7 Cs3 3.336(12) . ?
O16 C01A 1.389(5) . ?
O16 C016 1.401(6) . ?
C00G C01B 1.3900 . ?
C00G C015 1.3900 . ?
C00G C02M 1.494(12) . ?
C01B H01B 0.9500 . ?
C01B C01A 1.3900 . ?
C01A C042 1.3900 . ?
C042 H042 0.9500 . ?
C042 C00Q 1.3900 . ?
C00Q C015 1.3900 . ?
C015 H015 0.9500 . ?
F2 C010 1.343(5) . ?
F3 C036 1.335(5) . ?
C00L C00T 1.421(8) . ?
C00L C033 1.449(17) . ?
C00M C024 1.468(13) . ?
C00M C029 1.421(8) . ?
O2 C03U 1.394(11) . ?
O2 C02L 1.400(6) . ?
C00O F24 1.336(5) . ?
C00O F25 1.332(5) . ?
C00O C01H 1.475(19) . ?
C00O C47 1.520(19) . ?
O13 C00R 1.275(13) . ?
O13 Cs2 3.451(10) 2_656 ?
O13 Cs2 3.302(9) . ?
C00R C01Y 1.535(5) . ?
C00R C037 1.376(8) . ?
F4 C036 1.338(5) . ?
C00T H00T 0.9500 . ?
C00T C03I 1.375(8) . ?
C00U H00U 0.9500 . ?
C00U C011 1.374(8) . ?
C00U C03C 1.421(8) . ?
C00V H00V 1.0000 . ?
C00V C02Q 1.531(5) . ?
C00V C134 1.530(5) . ?
C00X H00X 0.9500 . ?
C00X C034 1.3900 . ?
C00X C03A 1.3900 . ?
C034 C01K 1.3900 . ?
C034 O5 1.389(10) . ?
C01K H01K 0.9500 . ?
C01K C033 1.3900 . ?
C033 C03F 1.3900 . ?
C03F H03M 0.9500 . ?
C03F C03A 1.3900 . ?
C03A O6 1.397(15) . ?
C010 F1 1.342(5) . ?
C010 C01N 1.538(5) . ?
C010 C036 1.535(5) . ?
C011 C47 1.561(15) . ?
C016 H016 1.0000 . ?
C016 C03B 1.528(5) . ?
C016 C4 1.532(5) . ?
F26 C01H 1.331(6) . ?
F17 C45 1.339(6) . ?
C01D H01D 1.0000 . ?
C01D O11 1.406(6) . ?
C01D C03X 1.532(5) . ?
C01D C12 1.537(5) . ?
O12 C027 1.395(6) . ?
O12 C44 1.395(6) . ?
F16 C01Y 1.339(5) . ?
F8 C020 1.338(5) . ?
C01H F28 1.331(6) . ?
C01H F27 1.334(6) . ?
O11 C37 1.392(6) . ?
O10 C03C 1.230(13) . ?
O10 Cs2 3.380(9) 2_656 ?
C01M H01M 1.0000 . ?
C01M C038 1.530(5) . ?
C01M C11 1.532(5) . ?
C01M C19 1.533(5) . ?
C01N C029 1.377(8) . ?
F9 C020 1.338(5) . ?
C01P H01A 0.9900 . ?
C01P H01C 0.9900 . ?
C01P C02G 1.530(5) . ?
C01P C02Q 1.530(5) . ?
O14 C02M 1.239(13) . ?
O14 Cs1 3.324(8) 2_656 ?
C01T H01E 0.9900 . ?
C01T H01F 0.9900 . ?
C01T C038 1.531(5) . ?
C01T C1 1.533(5) . ?
C01V H01V 1.0000 . ?
C01V C12 1.533(5) . ?
C01V C21 1.534(5) . ?
C01V C34 1.531(5) . ?
C01W H01W 1.0000 . ?
C01W C02C 1.530(5) . ?
C01W C03X 1.531(5) . ?
C01W C79 1.536(5) . ?
C01Y C45 1.533(5) . ?
C020 C02T 1.531(5) . ?
C020 C03I 1.536(5) . ?
O5 C3 1.397(6) . ?
F11 C02T 1.335(6) . ?
C023 H02A 0.9900 . ?
C023 H02B 0.9900 . ?
C023 C03X 1.533(5) . ?
C023 C21 1.530(5) . ?
C024 C02S 1.3900 . ?
C024 C02A 1.3900 . ?
C02S H02S 0.9500 . ?
C02S C03U 1.3900 . ?
C03U C02R 1.3900 . ?
C02R H02R 0.9500 . ?
C02R C03R 1.3900 . ?
C03R C02A 1.3900 . ?
C03R O1 1.390(8) . ?
C02A H02L 0.9500 . ?
F10 C02T 1.336(6) . ?
C027 H027 1.0000 . ?
C027 C02F 1.530(5) . ?
C027 C02N 1.534(5) . ?
C029 H029 0.9500 . ?
C02B F20 1.337(6) . ?
C02B F21 1.337(6) . ?
C02B F19 1.334(6) . ?
C02B C45 1.530(5) . ?
C02C H02C 0.9800 . ?
C02C H02D 0.9800 . ?
C02C H02E 0.9800 . ?
C02F H02F 0.9900 . ?
C02F H02G 0.9900 . ?
C02F C03G 1.530(5) . ?
C02G H02H 0.9900 . ?
C02G H02I 0.9900 . ?
C02G C03Z 1.531(5) . ?
C02L H02M 1.0000 . ?
C02L C26 1.532(5) . ?
C02L C28 1.530(5) . ?
C02M C037 1.422(8) . ?
C02N H02N 1.0000 . ?
C02N C03Y 1.534(5) . ?
C02N C30 1.535(5) . ?
C02Q H02Q 1.0000 . ?
C02Q C02V 1.531(5) . ?
C02T C25 1.530(5) . ?
C02U H02J 0.9900 . ?
C02U H02K 0.9900 . ?
C02U C03B 1.527(5) . ?
C02U C03M 1.527(5) . ?
C02V H02V 1.0000 . ?
C02V C03S 1.533(5) . ?
C02V C32 1.533(5) . ?
C02W H02W 1.0000 . ?
C02W C03B 1.531(5) . ?
C02W C53 1.530(5) . ?
C02W C56 1.532(5) . ?
O1 C19 1.397(6) . ?
C035 H03N 0.9900 . ?
C035 H03O 0.9900 . ?
C035 C03D 1.529(5) . ?
C035 C29 1.530(5) . ?
C036 C27 1.531(5) . ?
C037 H037 0.9500 . ?
C038 H03P 0.9900 . ?
C038 H03Q 0.9900 . ?
C03B H03B 1.0000 . ?
C03C C42 1.495(15) . ?
C03D H03R 0.9900 . ?
C03D H03S 0.9900 . ?
C03D C26 1.530(5) . ?
C03G H03G 1.0000 . ?
C03G C03T 1.532(5) . ?
C03G C03V 1.530(5) . ?
C03M H03A 0.9900 . ?
C03M H03C 0.9900 . ?
C03M C041 1.531(5) . ?
O6 C5 1.394(6) . ?
F18 C45 1.337(6) . ?
C03S H03D 0.9800 . ?
C03S H03E 0.9800 . ?
C03S H03F 0.9800 . ?
C03T H03H 0.9900 . ?
C03T H03I 0.9900 . ?
C03T C30 1.530(5) . ?
C03V H03J 0.9800 . ?
C03V H03K 0.9800 . ?
C03V H03L 0.9800 . ?
C03X H03X 1.0000 . ?
C03Y H03Y 1.0000 . ?
C03Y C22 1.533(5) . ?
C03Y C85 1.529(5) . ?
C03Z H03Z 1.0000 . ?
C03Z C134 1.530(5) . ?
C03Z C68 1.534(5) . ?
C041 H041 1.0000 . ?
C041 C043 1.537(5) . ?
C041 C4 1.531(5) . ?
C043 H04A 0.9803 . ?
C043 H04B 0.9799 . ?
C043 H04C 0.9797 . ?
Cs3 H50B 3.3740 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C134 H13A 0.9900 . ?
C134 H13B 0.9900 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C11 H11 1.0000 . ?
C11 C38 1.531(5) . ?
C11 C2 1.531(5) . ?
C19 H19 1.0000 . ?
C19 C40 1.529(5) . ?
C1 H1 1.0000 . ?
C1 C40 1.533(5) . ?
C1 C48 1.531(5) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C6 H6 1.0000 . ?
C6 C3 1.532(5) . ?
C6 C17 1.532(5) . ?
C6 C14 1.533(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C3 1.532(5) . ?
C10 C9 1.532(5) . ?
C3 H3 1.0000 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.529(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C9 1.530(5) . ?
C7 H7 1.0000 . ?
C7 C5 1.533(5) . ?
C7 C8 1.533(5) . ?
C7 C49 1.531(5) . ?
C15 H15 1.0000 . ?
C15 C20 1.532(5) . ?
C15 C23 1.531(5) . ?
C15 C72 1.531(5) . ?
C5 H5 1.0000 . ?
C5 C23 1.534(5) . ?
C8 H8 1.0000 . ?
C8 C46 1.530(5) . ?
C8 C92 1.532(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C49 1.530(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C92 H92A 0.9798 . ?
C92 H92B 0.9797 . ?
C92 H92C 0.9797 . ?
C72 H72A 0.9799 . ?
C72 H72B 0.9801 . ?
C72 H72C 0.9803 . ?
C14 H14 1.0000 . ?
C14 C16 1.534(5) . ?
C14 C24 1.532(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C9 H9 1.0000 . ?
C9 C13 1.533(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C13 H13C 0.9800 . ?
C13 H13D 0.9800 . ?
C13 H13E 0.9800 . ?
F13 C25 1.335(6) . ?
F14 C25 1.333(6) . ?
F12 C25 1.337(6) . ?
F7 C27 1.331(5) . ?
F5 C27 1.331(5) . ?
F6 C27 1.334(5) . ?
C26 H26 1.0000 . ?
C26 C33 1.532(5) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.532(5) . ?
C29 H29 1.0000 . ?
C29 C31 1.531(5) . ?
C33 H33 1.0000 . ?
C33 C35 1.531(5) . ?
C33 C36 1.530(5) . ?
C31 H31A 0.9802 . ?
C31 H31B 0.9802 . ?
C31 H31C 0.9798 . ?
C35 H35A 0.9799 . ?
C35 H35B 0.9799 . ?
C35 H35C 0.9799 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C41 H41 0.9500 . ?
C41 C37 1.362(14) . ?
C41 C42 1.425(15) . ?
C39 H39 0.9500 . ?
C39 C37 1.397(15) . ?
C39 C44 1.391(16) . ?
C42 C43 1.357(15) . ?
C43 H43 0.9500 . ?
C43 C44 1.422(17) . ?
F23 C47 1.337(5) . ?
F22 C47 1.342(5) . ?
Cs2 Cs2 2.225(10) 2_656 ?
C48 H48A 0.9802 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9791 . ?
O17 H17 1.0005 . ?
O17 C50 1.40(2) . ?
C50 H50A 0.9803 . ?
C50 H50B 0.9801 . ?
C50 H50C 0.9797 . ?

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
O9 Eu1 O9 100.8(4) . 2_656 ?
O13 Eu1 O9 92.1(3) 2_656 . ?
O13 Eu1 O9 92.1(3) . 2_656 ?
O13 Eu1 O9 142.0(3) 2_656 2_656 ?
O13 Eu1 O9 142.0(3) . . ?
O13 Eu1 O13 99.4(4) . 2_656 ?
O13 Eu1 O10 77.1(3) 2_656 2_656 ?
O13 Eu1 O10 72.8(3) 2_656 . ?
O13 Eu1 O10 72.8(3) . 2_656 ?
O13 Eu1 O10 77.1(3) . . ?
O13 Eu1 O14 144.2(3) . 2_656 ?
O13 Eu1 O14 73.2(3) 2_656 2_656 ?
O13 Eu1 O14 144.2(3) 2_656 . ?
O13 Eu1 O14 73.2(3) . . ?
O10 Eu1 O9 72.0(3) . . ?
O10 Eu1 O9 72.0(3) 2_656 2_656 ?
O10 Eu1 O9 145.2(3) . 2_656 ?
O10 Eu1 O9 145.2(3) 2_656 . ?
O10 Eu1 O10 132.7(4) 2_656 . ?
O14 Eu1 O9 76.4(3) . . ?
O14 Eu1 O9 73.8(3) 2_656 . ?
O14 Eu1 O9 73.8(3) . 2_656 ?
O14 Eu1 O9 76.4(3) 2_656 2_656 ?
O14 Eu1 O10 130.0(3) . 2_656 ?
O14 Eu1 O10 71.4(3) 2_656 2_656 ?
O14 Eu1 O10 71.4(3) . . ?
O14 Eu1 O10 130.0(3) 2_656 . ?
O14 Eu1 O14 132.4(4) . 2_656 ?
O8 Eu2 O8 137.1(5) . 2_655 ?
O8 Eu2 O3 130.4(3) 2_655 . ?
O8 Eu2 O3 69.3(3) . . ?
O8 Eu2 O3 69.3(3) 2_655 2_655 ?
O8 Eu2 O3 130.4(3) . 2_655 ?
O3 Eu2 O3 132.5(5) 2_655 . ?
O4 Eu2 O8 79.8(3) 2_655 2_655 ?
O4 Eu2 O8 79.8(3) . . ?
O4 Eu2 O8 73.2(3) 2_655 . ?
O4 Eu2 O8 73.2(3) . 2_655 ?
O4 Eu2 O3 73.8(3) 2_655 2_655 ?
O4 Eu2 O3 73.8(3) . . ?
O4 Eu2 O3 142.5(3) 2_655 . ?
O4 Eu2 O3 142.5(3) . 2_655 ?
O4 Eu2 O4 100.8(4) 2_655 . ?
O4 Eu2 O7 145.6(3) 2_655 2_655 ?
O4 Eu2 O7 91.4(3) . 2_655 ?
O4 Eu2 O7 145.6(3) . . ?
O4 Eu2 O7 91.4(3) 2_655 . ?
O7 Eu2 O8 141.1(3) 2_655 . ?
O7 Eu2 O8 141.1(3) . 2_655 ?
O7 Eu2 O8 73.1(4) . . ?
O7 Eu2 O8 73.1(4) 2_655 2_655 ?
O7 Eu2 O3 71.8(3) 2_655 . ?
O7 Eu2 O3 71.8(3) . 2_655 ?
O7 Eu2 O3 77.0(3) 2_655 2_655 ?
O7 Eu2 O3 77.0(3) . . ?
O7 Eu2 O7 96.4(6) . 2_655 ?
C00L O8 Eu2 135.5(9) . . ?
Eu2 O3 Cs3 92.6(3) . . ?
C00M O3 Eu2 134.4(7) . . ?
C00M O3 Cs3 129.6(7) . . ?
C01N O4 Eu2 134.3(6) . . ?
C00Q O15 C00V 118.1(7) . . ?
C01Y F15 Cs2 130.8(7) . 2_656 ?
Eu1 O9 Cs1 92.2(3) . 2_656 ?
Eu1 O9 Cs1 96.0(2) . . ?
C011 O9 Eu1 133.4(7) . . ?
C011 O9 Cs1 129.0(7) . . ?
C011 O9 Cs1 112.7(8) . 2_656 ?
Cs1 O9 Cs1 41.62(14) . 2_656 ?
Eu2 O7 Cs3 95.0(3) . . ?
C03I O7 Eu2 134.0(9) . . ?
C03I O7 Cs3 119.0(9) . . ?
C01A O16 C016 123.3(8) . . ?
C01B C00G C015 120.0 . . ?
C01B C00G C02M 122.5(6) . . ?
C015 C00G C02M 117.5(6) . . ?
C00G C01B H01B 120.0 . . ?
C01A C01B C00G 120.0 . . ?
C01A C01B H01B 120.0 . . ?
O16 C01A C01B 120.5(6) . . ?
O16 C01A C042 119.5(6) . . ?
C01B C01A C042 120.0 . . ?
C01A C042 H042 120.0 . . ?
C01A C042 C00Q 120.0 . . ?
C00Q C042 H042 120.0 . . ?
O15 C00Q C042 113.2(5) . . ?
O15 C00Q C015 126.3(5) . . ?
C015 C00Q C042 120.0 . . ?
C00G C015 H015 120.0 . . ?
C00Q C015 C00G 120.0 . . ?
C00Q C015 H015 120.0 . . ?
O8 C00L C00T 121.8(14) . . ?
O8 C00L C033 116.2(11) . . ?
C00T C00L C033 121.7(12) . . ?
O3 C00M C024 118.1(9) . . ?
O3 C00M C029 124.2(11) . . ?
C029 C00M C024 117.7(11) . . ?
C03U O2 C02L 118.4(9) . . ?
F24 C00O C01H 105.4(11) . . ?
F24 C00O C47 106.1(10) . . ?
F25 C00O F24 109.0(11) . . ?
F25 C00O C01H 107.6(10) . . ?
F25 C00O C47 110.2(10) . . ?
C01H C00O C47 118.1(10) . . ?
Eu1 O13 Cs2 97.6(3) . . ?
Eu1 O13 Cs2 93.8(3) . 2_656 ?
C00R O13 Eu1 133.3(6) . . ?
C00R O13 Cs2 125.7(6) . . ?
C00R O13 Cs2 109.0(7) . 2_656 ?
Cs2 O13 Cs2 38.39(19) . 2_656 ?
O13 C00R C01Y 113.2(8) . . ?
O13 C00R C037 129.6(9) . . ?
C037 C00R C01Y 117.1(9) . . ?
C00L C00T H00T 116.6 . . ?
C03I C00T C00L 126.8(13) . . ?
C03I C00T H00T 116.6 . . ?
C011 C00U H00U 119.0 . . ?
C011 C00U C03C 122.1(10) . . ?
C03C C00U H00U 119.0 . . ?
O15 C00V H00V 109.5 . . ?
O15 C00V C02Q 105.9(8) . . ?
O15 C00V C134 112.9(9) . . ?
C02Q C00V H00V 109.5 . . ?
C134 C00V H00V 109.5 . . ?
C134 C00V C02Q 109.4(8) . . ?
C034 C00X H00X 120.0 . . ?
C034 C00X C03A 120.0 . . ?
C03A C00X H00X 120.0 . . ?
C00X C034 C01K 120.0 . . ?
O5 C034 C00X 119.1(6) . . ?
O5 C034 C01K 120.4(6) . . ?
C034 C01K H01K 120.0 . . ?
C033 C01K C034 120.0 . . ?
C033 C01K H01K 120.0 . . ?
C01K C033 C00L 122.0(6) . . ?
C01K C033 C03F 120.0 . . ?
C03F C033 C00L 117.8(6) . . ?
C033 C03F H03M 120.0 . . ?
C033 C03F C03A 120.0 . . ?
C03A C03F H03M 120.0 . . ?
C00X C03A O6 101.7(7) . . ?
C03F C03A C00X 120.0 . . ?
C03F C03A O6 134.9(7) . . ?
F2 C010 C01N 112.6(8) . . ?
F2 C010 C036 105.0(8) . . ?
F1 C010 F2 110.3(9) . . ?
F1 C010 C01N 110.6(7) . . ?
F1 C010 C036 106.0(8) . . ?
C036 C010 C01N 112.0(8) . . ?
O9 C011 C00U 130.5(11) . . ?
O9 C011 C47 113.2(8) . . ?
C00U C011 C47 116.3(9) . . ?
O16 C016 H016 108.7 . . ?
O16 C016 C03B 107.4(9) . . ?
O16 C016 C4 111.7(11) . . ?
C03B C016 H016 108.7 . . ?
C03B C016 C4 111.6(10) . . ?
C4 C016 H016 108.7 . . ?
O11 C01D H01D 108.5 . . ?
O11 C01D C03X 107.5(7) . . ?
O11 C01D C12 113.4(9) . . ?
C03X C01D H01D 108.5 . . ?
C03X C01D C12 110.5(8) . . ?
C12 C01D H01D 108.5 . . ?
C44 O12 C027 121.2(10) . . ?
F26 C01H C00O 114.5(11) . . ?
F26 C01H F28 108.7(13) . . ?
F26 C01H F27 105.0(14) . . ?
F28 C01H C00O 116.6(11) . . ?
F28 C01H F27 96.6(13) . . ?
F27 C01H C00O 113.4(11) . . ?
C37 O11 C01D 119.5(8) . . ?
Eu1 O10 Cs2 95.1(2) . 2_656 ?
C03C O10 Eu1 137.4(7) . . ?
C03C O10 Cs2 122.3(7) . 2_656 ?
C038 C01M H01M 107.4 . . ?
C038 C01M C11 110.2(14) . . ?
C038 C01M C19 110.6(14) . . ?
C11 C01M H01M 107.4 . . ?
C11 C01M C19 113.6(14) . . ?
C19 C01M H01M 107.4 . . ?
O4 C01N C010 113.6(7) . . ?
O4 C01N C029 128.1(9) . . ?
C029 C01N C010 118.3(9) . . ?
H01A C01P H01C 108.2 . . ?
C02G C01P H01A 109.7 . . ?
C02G C01P H01C 109.7 . . ?
C02G C01P C02Q 110.0(11) . . ?
C02Q C01P H01A 109.7 . . ?
C02Q C01P H01C 109.7 . . ?
Eu1 O14 Cs1 97.1(3) . 2_656 ?
C02M O14 Eu1 135.5(7) . . ?
C02M O14 Cs1 123.2(6) . 2_656 ?
H01E C01T H01F 108.4 . . ?
C038 C01T H01E 110.1 . . ?
C038 C01T H01F 110.1 . . ?
C038 C01T C1 108.0(18) . . ?
C1 C01T H01E 110.1 . . ?
C1 C01T H01F 110.1 . . ?
C12 C01V H01V 109.3 . . ?
C12 C01V C21 107.4(10) . . ?
C21 C01V H01V 109.3 . . ?
C34 C01V H01V 109.3 . . ?
C34 C01V C12 111.9(12) . . ?
C34 C01V C21 109.4(11) . . ?
C02C C01W H01W 107.5 . . ?
C02C C01W C03X 112.8(10) . . ?
C02C C01W C79 109.4(13) . . ?
C03X C01W H01W 107.5 . . ?
C03X C01W C79 111.9(11) . . ?
C79 C01W H01W 107.5 . . ?
F15 C01Y C00R 108.4(8) . . ?
F15 C01Y F16 107.7(9) . . ?
F15 C01Y C45 101.2(10) . . ?
F16 C01Y C00R 112.0(8) . . ?
F16 C01Y C45 110.3(9) . . ?
C45 C01Y C00R 116.5(8) . . ?
F8 C020 C02T 109.4(11) . . ?
F8 C020 C03I 112.3(10) . . ?
F9 C020 F8 106.3(11) . . ?
F9 C020 C02T 103.5(10) . . ?
F9 C020 C03I 114.2(10) . . ?
C02T C020 C03I 110.7(11) . . ?
C034 O5 C3 121.4(10) . . ?
H02A C023 H02B 107.9 . . ?
C03X C023 H02A 109.2 . . ?
C03X C023 H02B 109.2 . . ?
C21 C023 H02A 109.2 . . ?
C21 C023 H02B 109.2 . . ?
C21 C023 C03X 112.2(11) . . ?
C02S C024 C00M 113.2(6) . . ?
C02S C024 C02A 120.0 . . ?
C02A C024 C00M 126.7(5) . . ?
C024 C02S H02S 120.0 . . ?
C03U C02S C024 120.0 . . ?
C03U C02S H02S 120.0 . . ?
C02S C03U O2 127.4(5) . . ?
C02R C03U O2 112.1(4) . . ?
C02R C03U C02S 120.0 . . ?
C03U C02R H02R 120.0 . . ?
C03U C02R C03R 120.0 . . ?
C03R C02R H02R 120.0 . . ?
C02A C03R C02R 120.0 . . ?
O1 C03R C02R 127.7(4) . . ?
O1 C03R C02A 112.2(4) . . ?
C024 C02A H02L 120.0 . . ?
C03R C02A C024 120.0 . . ?
C03R C02A H02L 120.0 . . ?
O12 C027 H027 107.4 . . ?
O12 C027 C02F 107.5(10) . . ?
O12 C027 C02N 112.4(10) . . ?
C02F C027 H027 107.4 . . ?
C02F C027 C02N 114.4(11) . . ?
C02N C027 H027 107.4 . . ?
C00M C029 H029 118.0 . . ?
C01N C029 C00M 124.0(11) . . ?
C01N C029 H029 118.0 . . ?
F20 C02B F21 103.9(16) . . ?
F20 C02B C45 114.8(13) . . ?
F21 C02B C45 111.7(12) . . ?
F19 C02B F20 104.0(16) . . ?
F19 C02B F21 109.2(13) . . ?
F19 C02B C45 112.7(13) . . ?
C01W C02C H02C 109.5 . . ?
C01W C02C H02D 109.5 . . ?
C01W C02C H02E 109.5 . . ?
H02C C02C H02D 109.5 . . ?
H02C C02C H02E 109.5 . . ?
H02D C02C H02E 109.5 . . ?
C027 C02F H02F 109.1 . . ?
C027 C02F H02G 109.1 . . ?
H02F C02F H02G 107.9 . . ?
C03G C02F C027 112.3(11) . . ?
C03G C02F H02F 109.1 . . ?
C03G C02F H02G 109.1 . . ?
C01P C02G H02H 109.3 . . ?
C01P C02G H02I 109.3 . . ?
C01P C02G C03Z 111.7(11) . . ?
H02H C02G H02I 107.9 . . ?
C03Z C02G H02H 109.3 . . ?
C03Z C02G H02I 109.3 . . ?
O2 C02L H02M 109.7 . . ?
O2 C02L C26 107.5(11) . . ?
O2 C02L C28 110.1(14) . . ?
C26 C02L H02M 109.7 . . ?
C28 C02L H02M 109.7 . . ?
C28 C02L C26 110.1(13) . . ?
O14 C02M C00G 116.8(8) . . ?
O14 C02M C037 127.0(10) . . ?
C037 C02M C00G 116.2(9) . . ?
C027 C02N H02N 109.6 . . ?
C027 C02N C03Y 111.4(11) . . ?
C027 C02N C30 107.0(11) . . ?
C03Y C02N H02N 109.6 . . ?
C03Y C02N C30 109.5(11) . . ?
C30 C02N H02N 109.6 . . ?
C00V C02Q H02Q 107.7 . . ?
C00V C02Q C02V 113.5(9) . . ?
C01P C02Q C00V 109.9(10) . . ?
C01P C02Q H02Q 107.7 . . ?
C01P C02Q C02V 110.0(10) . . ?
C02V C02Q H02Q 107.7 . . ?
F11 C02T C020 111.5(11) . . ?
F11 C02T F10 112.0(17) . . ?
F11 C02T C25 101.7(14) . . ?
F10 C02T C020 107.0(12) . . ?
F10 C02T C25 105.2(14) . . ?
C25 C02T C020 119.2(12) . . ?
H02J C02U H02K 107.9 . . ?
C03B C02U H02J 109.2 . . ?
C03B C02U H02K 109.2 . . ?
C03B C02U C03M 112.2(11) . . ?
C03M C02U H02J 109.2 . . ?
C03M C02U H02K 109.2 . . ?
C02Q C02V H02V 108.5 . . ?
C02Q C02V C03S 109.7(12) . . ?
C02Q C02V C32 110.9(12) . . ?
C03S C02V H02V 108.5 . . ?
C03S C02V C32 110.7(15) . . ?
C32 C02V H02V 108.5 . . ?
C03B C02W H02W 108.3 . . ?
C03B C02W C56 108.8(14) . . ?
C53 C02W H02W 108.3 . . ?
C53 C02W C03B 114.5(14) . . ?
C53 C02W C56 108.5(17) . . ?
C56 C02W H02W 108.3 . . ?
C03R O1 C19 118.4(7) . . ?
H03N C035 H03O 107.9 . . ?
C03D C035 H03N 109.1 . . ?
C03D C035 H03O 109.1 . . ?
C03D C035 C29 112.3(17) . . ?
C29 C035 H03N 109.1 . . ?
C29 C035 H03O 109.1 . . ?
F3 C036 F4 106.6(10) . . ?
F3 C036 C010 109.7(8) . . ?
F3 C036 C27 107.2(9) . . ?
F4 C036 C010 110.2(8) . . ?
F4 C036 C27 107.2(9) . . ?
C27 C036 C010 115.5(8) . . ?
C00R C037 C02M 120.9(10) . . ?
C00R C037 H037 119.6 . . ?
C02M C037 H037 119.6 . . ?
C01M C038 H03P 109.8 . . ?
C01M C038 H03Q 109.8 . . ?
C01T C038 C01M 109.2(18) . . ?
C01T C038 H03P 109.8 . . ?
C01T C038 H03Q 109.8 . . ?
H03P C038 H03Q 108.3 . . ?
C016 C03B C02W 110.5(10) . . ?
C016 C03B H03B 109.2 . . ?
C02U C03B C016 108.1(11) . . ?
C02U C03B C02W 110.5(11) . . ?
C02U C03B H03B 109.2 . . ?
C02W C03B H03B 109.2 . . ?
C00U C03C C42 118.7(9) . . ?
O10 C03C C00U 124.4(11) . . ?
O10 C03C C42 116.8(9) . . ?
C035 C03D H03R 109.0 . . ?
C035 C03D H03S 109.0 . . ?
C035 C03D C26 113.0(15) . . ?
H03R C03D H03S 107.8 . . ?
C26 C03D H03R 109.0 . . ?
C26 C03D H03S 109.0 . . ?
C02F C03G H03G 107.4 . . ?
C02F C03G C03T 109.8(12) . . ?
C02F C03G C03V 114.1(15) . . ?
C03T C03G H03G 107.4 . . ?
C03V C03G H03G 107.4 . . ?
C03V C03G C03T 110.5(14) . . ?
O7 C03I C00T 127.1(12) . . ?
O7 C03I C020 113.8(11) . . ?
C00T C03I C020 119.0(12) . . ?
C02U C03M H03A 109.3 . . ?
C02U C03M H03C 109.3 . . ?
C02U C03M C041 111.6(11) . . ?
H03A C03M H03C 108.0 . . ?
C041 C03M H03A 109.3 . . ?
C041 C03M H03C 109.3 . . ?
C5 O6 C03A 116.4(14) . . ?
C02V C03S H03D 109.5 . . ?
C02V C03S H03E 109.5 . . ?
C02V C03S H03F 109.5 . . ?
H03D C03S H03E 109.5 . . ?
H03D C03S H03F 109.5 . . ?
H03E C03S H03F 109.5 . . ?
C03G C03T H03H 109.1 . . ?
C03G C03T H03I 109.1 . . ?
H03H C03T H03I 107.8 . . ?
C30 C03T C03G 112.5(12) . . ?
C30 C03T H03H 109.1 . . ?
C30 C03T H03I 109.1 . . ?
C03G C03V H03J 109.5 . . ?
C03G C03V H03K 109.5 . . ?
C03G C03V H03L 109.5 . . ?
H03J C03V H03K 109.5 . . ?
H03J C03V H03L 109.5 . . ?
H03K C03V H03L 109.5 . . ?
C01D C03X C023 110.6(9) . . ?
C01D C03X H03X 107.1 . . ?
C01W C03X C01D 112.3(8) . . ?
C01W C03X C023 112.3(9) . . ?
C01W C03X H03X 107.1 . . ?
C023 C03X H03X 107.1 . . ?
C02N C03Y H03Y 106.9 . . ?
C22 C03Y C02N 114.5(16) . . ?
C22 C03Y H03Y 106.9 . . ?
C85 C03Y C02N 111.2(16) . . ?
C85 C03Y H03Y 106.9 . . ?
C85 C03Y C22 109.9(18) . . ?
C02G C03Z H03Z 109.2 . . ?
C02G C03Z C68 112.2(11) . . ?
C134 C03Z C02G 106.2(10) . . ?
C134 C03Z H03Z 109.2 . . ?
C134 C03Z C68 110.8(11) . . ?
C68 C03Z H03Z 109.2 . . ?
C03M C041 H041 105.6 . . ?
C03M C041 C043 121.2(15) . . ?
C043 C041 H041 105.6 . . ?
C4 C041 C03M 108.5(12) . . ?
C4 C041 H041 105.6 . . ?
C4 C041 C043 109.2(13) . . ?
C041 C043 H04A 110.4 . . ?
C041 C043 H04B 110.5 . . ?
C041 C043 H04C 107.4 . . ?
H04A C043 H04B 109.4 . . ?
H04A C043 H04C 109.5 . . ?
H04B C043 H04C 109.5 . . ?
O3 Cs3 H50B 145.6 . . ?
O7 Cs3 O3 52.4(2) . . ?
O7 Cs3 H50B 119.1 . . ?
C016 C4 H4A 108.9 . . ?
C016 C4 H4B 108.9 . . ?
C041 C4 C016 113.3(11) . . ?
C041 C4 H4A 108.9 . . ?
C041 C4 H4B 108.9 . . ?
H4A C4 H4B 107.7 . . ?
C02W C53 H53A 109.5 . . ?
C02W C53 H53B 109.5 . . ?
C02W C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C02W C56 H56A 109.5 . . ?
C02W C56 H56B 109.5 . . ?
C02W C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C02V C32 H32A 109.5 . . ?
C02V C32 H32B 109.5 . . ?
C02V C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C00V C134 C03Z 115.7(10) . . ?
C00V C134 H13A 108.4 . . ?
C00V C134 H13B 108.4 . . ?
C03Z C134 H13A 108.4 . . ?
C03Z C134 H13B 108.4 . . ?
H13A C134 H13B 107.4 . . ?
C03Z C68 H68A 109.5 . . ?
C03Z C68 H68B 109.5 . . ?
C03Z C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C02N C30 H30A 109.0 . . ?
C02N C30 H30B 109.0 . . ?
C03T C30 C02N 112.8(12) . . ?
C03T C30 H30A 109.0 . . ?
C03T C30 H30B 109.0 . . ?
H30A C30 H30B 107.8 . . ?
C03Y C22 H22A 109.5 . . ?
C03Y C22 H22B 109.5 . . ?
C03Y C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C03Y C85 H85A 109.5 . . ?
C03Y C85 H85B 109.5 . . ?
C03Y C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C01D C12 H12A 108.8 . . ?
C01D C12 H12B 108.8 . . ?
C01V C12 C01D 114.0(10) . . ?
C01V C12 H12A 108.8 . . ?
C01V C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C01V C21 H21A 109.2 . . ?
C01V C21 H21B 109.2 . . ?
C023 C21 C01V 111.9(11) . . ?
C023 C21 H21A 109.2 . . ?
C023 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C01V C34 H34A 109.5 . . ?
C01V C34 H34B 109.5 . . ?
C01V C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C01W C79 H79A 109.5 . . ?
C01W C79 H79B 109.5 . . ?
C01W C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C01M C11 H11 112.0 . . ?
C38 C11 C01M 107.5(18) . . ?
C38 C11 H11 112.0 . . ?
C38 C11 C2 106.9(17) . . ?
C2 C11 C01M 106.2(19) . . ?
C2 C11 H11 112.0 . . ?
C01M C19 H19 110.0 . . ?
O1 C19 C01M 107.6(11) . . ?
O1 C19 H19 110.0 . . ?
O1 C19 C40 107.4(14) . . ?
C40 C19 C01M 111.8(14) . . ?
C40 C19 H19 110.0 . . ?
C01T C1 H1 117.1 . . ?
C40 C1 C01T 104.6(18) . . ?
C40 C1 H1 117.1 . . ?
C48 C1 C01T 102.1(19) . . ?
C48 C1 H1 117.1 . . ?
C48 C1 C40 95.8(18) . . ?
C19 C40 C1 110.2(16) . . ?
C19 C40 H40A 109.6 . . ?
C19 C40 H40B 109.6 . . ?
C1 C40 H40A 109.6 . . ?
C1 C40 H40B 109.6 . . ?
H40A C40 H40B 108.1 . . ?
C11 C38 H38A 109.5 . . ?
C11 C38 H38B 109.5 . . ?
C11 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C11 C2 H2A 109.5 . . ?
C11 C2 H2B 109.5 . . ?
C11 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C3 C6 H6 106.0 . . ?
C3 C6 C14 112.0(12) . . ?
C17 C6 H6 106.0 . . ?
C17 C6 C3 110.3(13) . . ?
C17 C6 C14 115.7(14) . . ?
C14 C6 H6 106.0 . . ?
H10A C10 H10B 108.1 . . ?
C3 C10 H10A 109.5 . . ?
C3 C10 H10B 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 C3 110.6(16) . . ?
O5 C3 C6 107.3(11) . . ?
O5 C3 C10 107.9(14) . . ?
O5 C3 H3 109.9 . . ?
C6 C3 C10 111.7(14) . . ?
C6 C3 H3 109.9 . . ?
C10 C3 H3 109.9 . . ?
C6 C17 H17A 108.9 . . ?
C6 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C18 C17 C6 113.5(16) . . ?
C18 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
C17 C18 H18A 109.9 . . ?
C17 C18 H18B 109.9 . . ?
C17 C18 C9 109.0(17) . . ?
H18A C18 H18B 108.3 . . ?
C9 C18 H18A 109.9 . . ?
C9 C18 H18B 109.9 . . ?
C5 C7 H7 107.0 . . ?
C5 C7 C8 110.1(16) . . ?
C8 C7 H7 107.0 . . ?
C49 C7 H7 107.0 . . ?
C49 C7 C5 112.7(18) . . ?
C49 C7 C8 112.7(16) . . ?
C20 C15 H15 105.9 . . ?
C23 C15 H15 105.9 . . ?
C23 C15 C20 104.5(19) . . ?
C23 C15 C72 117(2) . . ?
C72 C15 H15 105.9 . . ?
C72 C15 C20 116(2) . . ?
O6 C5 C7 111.2(16) . . ?
O6 C5 H5 111.3 . . ?
O6 C5 C23 93.5(8) . . ?
C7 C5 H5 111.3 . . ?
C7 C5 C23 117.2(18) . . ?
C23 C5 H5 111.3 . . ?
C7 C8 H8 108.1 . . ?
C46 C8 C7 127(2) . . ?
C46 C8 H8 108.1 . . ?
C46 C8 C92 90(2) . . ?
C92 C8 C7 113(2) . . ?
C92 C8 H8 108.1 . . ?
C15 C20 H20A 106.8 . . ?
C15 C20 H20B 106.8 . . ?
H20A C20 H20B 106.6 . . ?
C49 C20 C15 122(2) . . ?
C49 C20 H20A 106.8 . . ?
C49 C20 H20B 106.8 . . ?
C15 C23 C5 118.6(19) . . ?
C15 C23 H23A 107.7 . . ?
C15 C23 H23B 107.7 . . ?
C5 C23 H23A 107.7 . . ?
C5 C23 H23B 107.7 . . ?
H23A C23 H23B 107.1 . . ?
C7 C49 H49A 110.3 . . ?
C7 C49 H49B 110.3 . . ?
C20 C49 C7 107.0(18) . . ?
C20 C49 H49A 110.3 . . ?
C20 C49 H49B 110.3 . . ?
H49A C49 H49B 108.6 . . ?
C8 C46 H46A 109.5 . . ?
C8 C46 H46B 109.5 . . ?
C8 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C8 C92 H92A 110.4 . . ?
C8 C92 H92B 108.7 . . ?
C8 C92 H92C 109.3 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C15 C72 H72A 111.1 . . ?
C15 C72 H72B 105.9 . . ?
C15 C72 H72C 111.4 . . ?
H72A C72 H72B 109.4 . . ?
H72A C72 H72C 109.4 . . ?
H72B C72 H72C 109.5 . . ?
C6 C14 H14 109.8 . . ?
C6 C14 C16 111.1(16) . . ?
C16 C14 H14 109.8 . . ?
C24 C14 C6 109.1(17) . . ?
C24 C14 H14 109.8 . . ?
C24 C14 C16 107.1(18) . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C10 C9 H9 113.0 . . ?
C10 C9 C13 103.0(18) . . ?
C18 C9 C10 108.1(16) . . ?
C18 C9 H9 113.0 . . ?
C18 C9 C13 106.1(18) . . ?
C13 C9 H9 113.0 . . ?
C14 C24 H24A 109.5 . . ?
C14 C24 H24B 109.5 . . ?
C14 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C9 C13 H13C 109.5 . . ?
C9 C13 H13D 109.5 . . ?
C9 C13 H13E 109.5 . . ?
H13C C13 H13D 109.5 . . ?
H13C C13 H13E 109.5 . . ?
H13D C13 H13E 109.5 . . ?
F13 C25 C02T 110.6(13) . . ?
F13 C25 F12 116(2) . . ?
F14 C25 C02T 109.7(15) . . ?
F14 C25 F13 113.7(18) . . ?
F14 C25 F12 101.9(19) . . ?
F12 C25 C02T 104.2(15) . . ?
F7 C27 C036 112.4(9) . . ?
F7 C27 F6 113.7(12) . . ?
F5 C27 C036 110.2(9) . . ?
F5 C27 F7 106.7(12) . . ?
F5 C27 F6 102.5(13) . . ?
F6 C27 C036 110.8(9) . . ?
C02L C26 H26 107.7 . . ?
C02L C26 C33 110.3(12) . . ?
C03D C26 C02L 110.6(13) . . ?
C03D C26 H26 107.7 . . ?
C03D C26 C33 112.6(14) . . ?
C33 C26 H26 107.7 . . ?
C02L C28 H28A 107.9 . . ?
C02L C28 H28B 107.9 . . ?
C02L C28 C29 117.5(16) . . ?
H28A C28 H28B 107.2 . . ?
C29 C28 H28A 107.9 . . ?
C29 C28 H28B 107.9 . . ?
C035 C29 C28 107.6(15) . . ?
C035 C29 H29 106.8 . . ?
C035 C29 C31 113.1(18) . . ?
C28 C29 H29 106.8 . . ?
C31 C29 C28 115.3(19) . . ?
C31 C29 H29 106.8 . . ?
C26 C33 H33 108.8 . . ?
C35 C33 C26 118.2(18) . . ?
C35 C33 H33 108.8 . . ?
C36 C33 C26 110.0(16) . . ?
C36 C33 H33 108.8 . . ?
C36 C33 C35 101.8(19) . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 110.2 . . ?
C29 C31 H31C 108.6 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C35 H35A 110.3 . . ?
C33 C35 H35B 109.7 . . ?
C33 C35 H35C 108.4 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C37 C41 H41 121.7 . . ?
C37 C41 C42 116.7(9) . . ?
C42 C41 H41 121.7 . . ?
C37 C39 H39 121.1 . . ?
C44 C39 H39 121.1 . . ?
C44 C39 C37 117.8(9) . . ?
O11 C37 C39 114.9(9) . . ?
C41 C37 O11 121.5(9) . . ?
C41 C37 C39 123.5(8) . . ?
C41 C42 C03C 118.6(9) . . ?
C43 C42 C03C 118.7(10) . . ?
C43 C42 C41 122.3(10) . . ?
C42 C43 H43 120.7 . . ?
C42 C43 C44 118.6(10) . . ?
C44 C43 H43 120.7 . . ?
O12 C44 C43 114.4(10) . . ?
C39 C44 O12 125.0(10) . . ?
C39 C44 C43 120.5(9) . . ?
F17 C45 C01Y 107.0(10) . . ?
F17 C45 C02B 104.5(12) . . ?
C02B C45 C01Y 109.8(10) . . ?
F18 C45 F17 117.3(14) . . ?
F18 C45 C01Y 114.1(11) . . ?
F18 C45 C02B 103.5(14) . . ?
C47 F23 Cs1 130.3(7) . 2_656 ?
C00O C47 C011 113.0(9) . . ?
F23 C47 C00O 108.9(10) . . ?
F23 C47 C011 109.4(9) . . ?
F23 C47 F22 104.5(9) . . ?
F22 C47 C00O 109.2(9) . . ?
F22 C47 C011 111.5(9) . . ?
F15 Cs2 O13 108.6(3) 2_656 . ?
F15 Cs2 O13 46.0(2) 2_656 2_656 ?
F15 Cs2 O10 89.4(2) 2_656 2_656 ?
O13 Cs2 O13 64.3(3) . 2_656 ?
O13 Cs2 O10 49.8(2) . 2_656 ?
O10 Cs2 O13 51.3(2) 2_656 2_656 ?
Cs2 Cs2 F15 67.5(3) 2_656 2_656 ?
Cs2 Cs2 O13 74.4(2) 2_656 . ?
Cs2 Cs2 O13 67.18(19) 2_656 2_656 ?
Cs2 Cs2 O10 108.42(15) 2_656 2_656 ?
C1 C48 H48A 114.1 . . ?
C1 C48 H48B 111.0 . . ?
C1 C48 H48C 103.1 . . ?
H48A C48 H48B 109.4 . . ?
H48A C48 H48C 109.4 . . ?
H48B C48 H48C 109.6 . . ?
C50 O17 H17 158.3 . . ?
O17 C50 H50A 110.1 . . ?
O17 C50 H50B 109.3 . . ?
O17 C50 H50C 109.1 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 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 O9 C011 C00U 0(2) . . . . ?
Eu1 O9 C011 C47 179.7(7) . . . . ?
Eu1 O13 C00R C01Y 179.5(7) . . . . ?
Eu1 O13 C00R C037 -4(2) . . . . ?
Eu1 O10 C03C C00U 6.5(19) . . . . ?
Eu1 O10 C03C C42 -170.5(8) . . . . ?
Eu1 O14 C02M C00G -171.2(6) . . . . ?
Eu1 O14 C02M C037 9.4(18) . . . . ?
Eu2 O8 C00L C00T 4(2) . . . . ?
Eu2 O8 C00L C033 177.2(8) . . . . ?
Eu2 O3 C00M C024 166.3(8) . . . . ?
Eu2 O3 C00M C029 -15(2) . . . . ?
Eu2 O4 C01N C010 -176.6(6) . . . . ?
Eu2 O4 C01N C029 2(2) . . . . ?
Eu2 O7 C03I C00T -15(2) . . . . ?
Eu2 O7 C03I C020 169.1(8) . . . . ?
O8 C00L C00T C03I 4(2) . . . . ?
O8 C00L C033 C01K -36.0(16) . . . . ?
O8 C00L C033 C03F 139.9(10) . . . . ?
O3 C00M C024 C02S -45.5(15) . . . . ?
O3 C00M C024 C02A 137.5(10) . . . . ?
O3 C00M C029 C01N 5(2) . . . . ?
O4 C01N C029 C00M 1(2) . . . . ?
O15 C00Q C015 C00G -171.4(9) . . . . ?
O15 C00V C02Q C01P -67.3(12) . . . . ?
O15 C00V C02Q C02V 56.4(13) . . . . ?
O15 C00V C134 C03Z 62.1(13) . . . . ?
F15 C01Y C45 F17 -69.2(14) . . . . ?
F15 C01Y C45 C02B 177.9(10) . . . . ?
F15 C01Y C45 F18 62.3(14) . . . . ?
O9 C011 C47 C00O 79.1(12) . . . . ?
O9 C011 C47 F23 -42.4(14) . . . . ?
O9 C011 C47 F22 -157.5(11) . . . . ?
O16 C01A C042 C00Q 177.7(10) . . . . ?
O16 C016 C03B C02U -67.0(14) . . . . ?
O16 C016 C03B C02W 54.1(15) . . . . ?
O16 C016 C4 C041 63.7(15) . . . . ?
C00G C01B C01A O16 -177.7(10) . . . . ?
C00G C01B C01A C042 0.0 . . . . ?
C00G C02M C037 C00R 175.2(10) . . . . ?
C01B C00G C015 C00Q 0.0 . . . . ?
C01B C00G C02M O14 -124.5(9) . . . . ?
C01B C00G C02M C037 54.9(11) . . . . ?
C01B C01A C042 C00Q 0.0 . . . . ?
C01A O16 C016 C03B -170.7(12) . . . . ?
C01A O16 C016 C4 66.6(16) . . . . ?
C01A C042 C00Q O15 172.5(8) . . . . ?
C01A C042 C00Q C015 0.0 . . . . ?
C042 C00Q C015 C00G 0.0 . . . . ?
C00Q O15 C00V C02Q -150.7(9) . . . . ?
C00Q O15 C00V C134 89.7(12) . . . . ?
C015 C00G C01B C01A 0.0 . . . . ?
C015 C00G C02M O14 55.7(11) . . . . ?
C015 C00G C02M C037 -124.8(9) . . . . ?
F2 C010 C01N O4 169.1(10) . . . . ?
F2 C010 C01N C029 -10.0(16) . . . . ?
F2 C010 C036 F3 -170.8(9) . . . . ?
F2 C010 C036 F4 72.2(11) . . . . ?
F2 C010 C036 C27 -49.5(10) . . . . ?
F3 C036 C27 F7 65.3(14) . . . . ?
F3 C036 C27 F5 -53.5(13) . . . . ?
F3 C036 C27 F6 -166.3(12) . . . . ?
C00L C00T C03I O7 2(3) . . . . ?
C00L C00T C03I C020 177.6(13) . . . . ?
C00L C033 C03F C03A -176.0(12) . . . . ?
C00M C024 C02S C03U -177.2(11) . . . . ?
C00M C024 C02A C03R 176.8(13) . . . . ?
O2 C03U C02R C03R -173.0(11) . . . . ?
O2 C02L C26 C03D -69.2(18) . . . . ?
O2 C02L C26 C33 56.0(19) . . . . ?
O2 C02L C28 C29 65.8(18) . . . . ?
O13 C00R C01Y F15 -41.9(13) . . . . ?
O13 C00R C01Y F16 -160.5(10) . . . . ?
O13 C00R C01Y C45 71.3(13) . . . . ?
O13 C00R C037 C02M 3(2) . . . . ?
C00R C01Y C45 F17 173.6(11) . . . . ?
C00R C01Y C45 C02B 60.7(12) . . . . ?
C00R C01Y C45 F18 -55.0(16) . . . . ?
F4 C036 C27 F7 179.5(11) . . . . ?
F4 C036 C27 F5 60.6(13) . . . . ?
F4 C036 C27 F6 -52.1(14) . . . . ?
C00T C00L C033 C01K 137.0(11) . . . . ?
C00T C00L C033 C03F -47.1(16) . . . . ?
C00U C011 C47 C00O -100.9(12) . . . . ?
C00U C011 C47 F23 137.6(11) . . . . ?
C00U C011 C47 F22 22.5(16) . . . . ?
C00U C03C C42 C41 -137.6(12) . . . . ?
C00U C03C C42 C43 49.1(17) . . . . ?
C00V O15 C00Q C042 164.7(8) . . . . ?
C00V O15 C00Q C015 -23.3(13) . . . . ?
C00V C02Q C02V C03S 172.9(13) . . . . ?
C00V C02Q C02V C32 50.3(16) . . . . ?
C00X C034 C01K C033 0.0 . . . . ?
C00X C034 O5 C3 -179.1(13) . . . . ?
C00X C03A O6 C5 172.6(12) . . . . ?
C034 C00X C03A C03F 0.0 . . . . ?
C034 C00X C03A O6 -162.2(11) . . . . ?
C034 C01K C033 C00L 175.8(12) . . . . ?
C034 C01K C033 C03F 0.0 . . . . ?
C034 O5 C3 C6 -159.0(15) . . . . ?
C034 O5 C3 C10 80.4(19) . . . . ?
C01K C034 O5 C3 8(2) . . . . ?
C01K C033 C03F C03A 0.0 . . . . ?
C033 C00L C00T C03I -169.1(14) . . . . ?
C033 C03F C03A C00X 0.0 . . . . ?
C033 C03F C03A O6 155.0(16) . . . . ?
C03F C03A O6 C5 15(2) . . . . ?
C03A C00X C034 C01K 0.0 . . . . ?
C03A C00X C034 O5 -172.4(12) . . . . ?
C03A O6 C5 C7 -156.0(16) . . . . ?
C03A O6 C5 C23 83.1(18) . . . . ?
C010 C01N C029 C00M 179.9(12) . . . . ?
C010 C036 C27 F7 -57.3(14) . . . . ?
C010 C036 C27 F5 -176.2(10) . . . . ?
C010 C036 C27 F6 71.1(13) . . . . ?
C011 C00U C03C O10 -6(2) . . . . ?
C011 C00U C03C C42 171.0(12) . . . . ?
F24 C00O C01H F26 -66.0(14) . . . . ?
F24 C00O C01H F28 62.5(16) . . . . ?
F24 C00O C01H F27 173.5(11) . . . . ?
F24 C00O C47 C011 61.5(11) . . . . ?
F24 C00O C47 F23 -176.7(9) . . . . ?
F24 C00O C47 F22 -63.2(12) . . . . ?
F1 C010 C01N O4 45.1(13) . . . . ?
F1 C010 C01N C029 -134.0(12) . . . . ?
F1 C010 C036 F3 -54.0(11) . . . . ?
F1 C010 C036 F4 -171.0(9) . . . . ?
F1 C010 C036 C27 67.3(10) . . . . ?
C016 O16 C01A C01B 10.3(17) . . . . ?
C016 O16 C01A C042 -167.4(10) . . . . ?
F25 C00O C01H F26 50.3(16) . . . . ?
F25 C00O C01H F28 178.8(13) . . . . ?
F25 C00O C01H F27 -70.2(15) . . . . ?
F25 C00O C47 C011 -56.4(12) . . . . ?
F25 C00O C47 F23 65.4(12) . . . . ?
F25 C00O C47 F22 178.9(10) . . . . ?
C01D O11 C37 C41 2.4(18) . . . . ?
C01D O11 C37 C39 -178.5(11) . . . . ?
O12 C027 C02F C03G 70.5(14) . . . . ?
O12 C027 C02N C03Y 51.6(17) . . . . ?
O12 C027 C02N C30 -68.0(15) . . . . ?
F16 C01Y C45 F17 44.5(15) . . . . ?
F16 C01Y C45 C02B -68.4(12) . . . . ?
F16 C01Y C45 F18 176.0(12) . . . . ?
F8 C020 C02T F11 179.0(14) . . . . ?
F8 C020 C02T F10 -58.1(16) . . . . ?
F8 C020 C02T C25 61.0(17) . . . . ?
F8 C020 C03I O7 45.8(16) . . . . ?
F8 C020 C03I C00T -130.5(14) . . . . ?
C01H C00O C47 C011 179.4(9) . . . . ?
C01H C00O C47 F23 -58.8(11) . . . . ?
C01H C00O C47 F22 54.7(12) . . . . ?
O11 C01D C03X C01W 54.9(12) . . . . ?
O11 C01D C03X C023 -71.5(12) . . . . ?
O11 C01D C12 C01V 64.3(13) . . . . ?
O10 C03C C42 C41 39.5(16) . . . . ?
O10 C03C C42 C43 -133.8(13) . . . . ?
C01M C19 C40 C1 -57(2) . . . . ?
C01N C010 C036 F3 66.8(11) . . . . ?
C01N C010 C036 F4 -50.3(11) . . . . ?
C01N C010 C036 C27 -171.9(8) . . . . ?
F9 C020 C02T F11 66.1(17) . . . . ?
F9 C020 C02T F10 -171.1(13) . . . . ?
F9 C020 C02T C25 -51.9(18) . . . . ?
F9 C020 C03I O7 166.9(11) . . . . ?
F9 C020 C03I C00T -9.4(18) . . . . ?
C01P C02G C03Z C134 -57.4(16) . . . . ?
C01P C02G C03Z C68 -178.5(14) . . . . ?
C01P C02Q C02V C03S -63.5(16) . . . . ?
C01P C02Q C02V C32 173.9(13) . . . . ?
O14 C02M C037 C00R -5.4(19) . . . . ?
C01T C1 C40 C19 64(2) . . . . ?
C01Y C00R C037 C02M 179.0(10) . . . . ?
C020 C02T C25 F13 -166.9(16) . . . . ?
C020 C02T C25 F14 -41(2) . . . . ?
C020 C02T C25 F12 68(2) . . . . ?
O5 C034 C01K C033 172.3(12) . . . . ?
F11 C02T C25 F13 70(2) . . . . ?
F11 C02T C25 F14 -163.8(17) . . . . ?
F11 C02T C25 F12 -55.3(18) . . . . ?
C024 C00M C029 C01N -175.7(13) . . . . ?
C024 C02S C03U O2 171.9(13) . . . . ?
C024 C02S C03U C02R 0.0 . . . . ?
C02S C024 C02A C03R 0.0 . . . . ?
C02S C03U C02R C03R 0.0 . . . . ?
C03U O2 C02L C26 -166.0(13) . . . . ?
C03U O2 C02L C28 74.1(18) . . . . ?
C03U C02R C03R C02A 0.0 . . . . ?
C03U C02R C03R O1 177.9(10) . . . . ?
C02R C03R C02A C024 0.0 . . . . ?
C02R C03R O1 C19 18.3(17) . . . . ?
C03R O1 C19 C01M -159.5(12) . . . . ?
C03R O1 C19 C40 80.0(16) . . . . ?
C02A C024 C02S C03U 0.0 . . . . ?
C02A C03R O1 C19 -163.6(12) . . . . ?
F10 C02T C25 F13 -47(2) . . . . ?
F10 C02T C25 F14 79.3(19) . . . . ?
F10 C02T C25 F12 -172.3(17) . . . . ?
C027 O12 C44 C39 -10(2) . . . . ?
C027 O12 C44 C43 170.3(13) . . . . ?
C027 C02F C03G C03T 51.5(16) . . . . ?
C027 C02F C03G C03V 176.2(16) . . . . ?
C027 C02N C03Y C22 179.4(17) . . . . ?
C027 C02N C03Y C85 54(2) . . . . ?
C027 C02N C30 C03T -55.9(16) . . . . ?
C029 C00M C024 C02S 135.3(10) . . . . ?
C029 C00M C024 C02A -41.7(16) . . . . ?
C02C C01W C03X C01D 50.9(15) . . . . ?
C02C C01W C03X C023 176.3(12) . . . . ?
C02F C027 C02N C03Y 174.6(13) . . . . ?
C02F C027 C02N C30 54.9(14) . . . . ?
C02F C03G C03T C30 -53.4(18) . . . . ?
C02G C01P C02Q C00V -59.2(14) . . . . ?
C02G C01P C02Q C02V 175.2(11) . . . . ?
C02G C03Z C134 C00V 55.5(14) . . . . ?
F20 C02B C45 F17 -66.3(16) . . . . ?
F20 C02B C45 C01Y 48.1(15) . . . . ?
F20 C02B C45 F18 170.4(13) . . . . ?
C02L O2 C03U C02S 14(2) . . . . ?
C02L O2 C03U C02R -174.1(12) . . . . ?
C02L C26 C33 C35 176.9(19) . . . . ?
C02L C26 C33 C36 60.6(19) . . . . ?
C02L C28 C29 C035 53(2) . . . . ?
C02L C28 C29 C31 179.8(17) . . . . ?
C02M C00G C01B C01A -179.7(9) . . . . ?
C02M C00G C015 C00Q 179.7(8) . . . . ?
C02N C027 C02F C03G -55.0(15) . . . . ?
C02Q C00V C134 C03Z -55.5(13) . . . . ?
C02Q C01P C02G C03Z 62.0(16) . . . . ?
C02T C020 C03I O7 -76.8(15) . . . . ?
C02T C020 C03I C00T 106.9(15) . . . . ?
C02U C03M C041 C043 177.9(15) . . . . ?
C02U C03M C041 C4 -54.8(17) . . . . ?
O1 C03R C02A C024 -178.2(9) . . . . ?
O1 C19 C40 C1 60.7(19) . . . . ?
C035 C03D C26 C02L -55.5(18) . . . . ?
C035 C03D C26 C33 -179.4(14) . . . . ?
C036 C010 C01N O4 -72.9(11) . . . . ?
C036 C010 C01N C029 108.0(12) . . . . ?
C037 C00R C01Y F15 141.4(11) . . . . ?
C037 C00R C01Y F16 22.8(14) . . . . ?
C037 C00R C01Y C45 -105.5(13) . . . . ?
C038 C01M C11 C38 178.8(16) . . . . ?
C038 C01M C11 C2 -67.1(19) . . . . ?
C038 C01M C19 O1 -66(2) . . . . ?
C038 C01M C19 C40 51.3(19) . . . . ?
C038 C01T C1 C40 -69(2) . . . . ?
C038 C01T C1 C48 -168(2) . . . . ?
C03B C016 C4 C041 -56.5(16) . . . . ?
C03B C02U C03M C041 59.1(17) . . . . ?
C03C C00U C011 O9 3(2) . . . . ?
C03C C00U C011 C47 -177.0(11) . . . . ?
C03C C42 C43 C44 173.9(12) . . . . ?
C03D C035 C29 C28 -53(2) . . . . ?
C03D C035 C29 C31 178.7(19) . . . . ?
C03D C26 C33 C35 -59(2) . . . . ?
C03D C26 C33 C36 -175.3(15) . . . . ?
C03G C03T C30 C02N 57.9(18) . . . . ?
C03I C020 C02T F11 -56.7(17) . . . . ?
C03I C020 C02T F10 66.2(16) . . . . ?
C03I C020 C02T C25 -174.7(15) . . . . ?
C03M C02U C03B C016 -57.8(15) . . . . ?
C03M C02U C03B C02W -178.8(12) . . . . ?
C03M C041 C4 C016 54.2(17) . . . . ?
F21 C02B C45 F17 175.8(14) . . . . ?
F21 C02B C45 C01Y -69.7(16) . . . . ?
F21 C02B C45 F18 52.5(16) . . . . ?
O6 C5 C23 C15 75(2) . . . . ?
C03V C03G C03T C30 179.9(18) . . . . ?
C03X C01D O11 C37 -161.2(10) . . . . ?
C03X C01D C12 C01V -56.4(13) . . . . ?
C03X C023 C21 C01V 57.5(17) . . . . ?
C03Y C02N C30 C03T -176.7(14) . . . . ?
C043 C041 C4 C016 -171.9(15) . . . . ?
F19 C02B C45 F17 52.5(18) . . . . ?
F19 C02B C45 C01Y 167.0(13) . . . . ?
F19 C02B C45 F18 -70.8(16) . . . . ?
Cs3 O3 C00M C024 -40.5(17) . . . . ?
Cs3 O3 C00M C029 138.7(10) . . . . ?
Cs3 O7 C03I C00T 117.2(15) . . . . ?
Cs3 O7 C03I C020 -58.8(13) . . . . ?
Cs1 O9 C011 C00U -162.5(11) . . . . ?
Cs1 O9 C011 C00U -117.2(14) 2_656 . . . ?
Cs1 O9 C011 C47 62.8(11) 2_656 . . . ?
Cs1 O9 C011 C47 17.5(16) . . . . ?
Cs1 O14 C02M C00G 37.5(12) 2_656 . . . ?
Cs1 O14 C02M C037 -142.0(9) 2_656 . . . ?
Cs1 F23 C47 C00O -127.1(9) 2_656 . . . ?
Cs1 F23 C47 C011 -3.1(13) 2_656 . . . ?
Cs1 F23 C47 F22 116.4(9) 2_656 . . . ?
C4 C016 C03B C02U 55.8(14) . . . . ?
C4 C016 C03B C02W 176.9(12) . . . . ?
C53 C02W C03B C016 48.0(19) . . . . ?
C53 C02W C03B C02U 167.6(15) . . . . ?
C56 C02W C03B C016 169.4(15) . . . . ?
C56 C02W C03B C02U -70.9(18) . . . . ?
C134 C00V C02Q C01P 54.7(13) . . . . ?
C134 C00V C02Q C02V 178.4(11) . . . . ?
C68 C03Z C134 C00V 177.6(12) . . . . ?
C30 C02N C03Y C22 -62(2) . . . . ?
C30 C02N C03Y C85 172.1(18) . . . . ?
C12 C01D O11 C37 76.4(13) . . . . ?
C12 C01D C03X C01W 179.1(9) . . . . ?
C12 C01D C03X C023 52.7(12) . . . . ?
C12 C01V C21 C023 -56.6(16) . . . . ?
C21 C01V C12 C01D 57.1(14) . . . . ?
C21 C023 C03X C01D -54.4(14) . . . . ?
C21 C023 C03X C01W 179.3(11) . . . . ?
C34 C01V C12 C01D 177.2(12) . . . . ?
C34 C01V C21 C023 -178.2(14) . . . . ?
C79 C01W C03X C01D 174.7(12) . . . . ?
C79 C01W C03X C023 -59.9(15) . . . . ?
C11 C01M C038 C01T 178.4(16) . . . . ?
C11 C01M C19 O1 58.1(19) . . . . ?
C11 C01M C19 C40 175.8(15) . . . . ?
C19 C01M C038 C01T -55(2) . . . . ?
C19 C01M C11 C38 54(2) . . . . ?
C19 C01M C11 C2 168.2(16) . . . . ?
C1 C01T C038 C01M 65(2) . . . . ?
C6 C17 C18 C9 58(2) . . . . ?
C3 C6 C17 C18 -52(2) . . . . ?
C3 C6 C14 C16 173.3(17) . . . . ?
C3 C6 C14 C24 55.5(19) . . . . ?
C3 C10 C9 C18 62(2) . . . . ?
C3 C10 C9 C13 174.1(16) . . . . ?
C17 C6 C3 O5 -66.9(19) . . . . ?
C17 C6 C3 C10 51.2(17) . . . . ?
C17 C6 C14 C16 -59(2) . . . . ?
C17 C6 C14 C24 -177.0(16) . . . . ?
C17 C18 C9 C10 -61(2) . . . . ?
C17 C18 C9 C13 -171.1(19) . . . . ?
C7 C5 C23 C15 -41(2) . . . . ?
C15 C20 C49 C7 59(3) . . . . ?
C5 C7 C8 C46 59(3) . . . . ?
C5 C7 C8 C92 168(2) . . . . ?
C5 C7 C49 C20 -48(2) . . . . ?
C8 C7 C5 O6 64(2) . . . . ?
C8 C7 C5 C23 170.1(15) . . . . ?
C8 C7 C49 C20 -173.3(19) . . . . ?
C20 C15 C23 C5 40(3) . . . . ?
C23 C15 C20 C49 -53(3) . . . . ?
C49 C7 C5 O6 -62(2) . . . . ?
C49 C7 C5 C23 43(2) . . . . ?
C49 C7 C8 C46 -174(2) . . . . ?
C49 C7 C8 C92 -65(3) . . . . ?
C72 C15 C20 C49 176(2) . . . . ?
C72 C15 C23 C5 170(2) . . . . ?
C14 C6 C3 O5 64(2) . . . . ?
C14 C6 C3 C10 -178.3(14) . . . . ?
C14 C6 C17 C18 179.3(15) . . . . ?
C9 C10 C3 O5 60.1(18) . . . . ?
C9 C10 C3 C6 -57.7(18) . . . . ?
C26 C02L C28 C29 -52.6(18) . . . . ?
C28 C02L C26 C03D 50.8(16) . . . . ?
C28 C02L C26 C33 176.0(13) . . . . ?
C29 C035 C03D C26 58(2) . . . . ?
C41 C42 C43 C44 1(2) . . . . ?
C37 C41 C42 C03C -180.0(11) . . . . ?
C37 C41 C42 C43 -7.0(19) . . . . ?
C37 C39 C44 O12 175.4(14) . . . . ?
C37 C39 C44 C43 -5(2) . . . . ?
C42 C41 C37 O11 -173.6(11) . . . . ?
C42 C41 C37 C39 7(2) . . . . ?
C42 C43 C44 O12 -175.0(13) . . . . ?
C42 C43 C44 C39 5(2) . . . . ?
C44 O12 C027 C02F 85.4(16) . . . . ?
C44 O12 C027 C02N -147.9(13) . . . . ?
C44 C39 C37 O11 179.3(13) . . . . ?
C44 C39 C37 C41 -2(2) . . . . ?
C47 C00O C01H F26 175.8(11) . . . . ?
C47 C00O C01H F28 -55.7(16) . . . . ?
C47 C00O C01H F27 55.3(14) . . . . ?
Cs2 F15 C01Y C00R -8.3(13) 2_656 . . . ?
Cs2 F15 C01Y F16 113.0(9) 2_656 . . . ?
Cs2 F15 C01Y C45 -131.3(9) 2_656 . . . ?
Cs2 O13 C00R C01Y 64.6(9) 2_656 . . . ?
Cs2 O13 C00R C01Y 25.2(13) . . . . ?
Cs2 O13 C00R C037 -119.2(12) 2_656 . . . ?
Cs2 O13 C00R C037 -158.5(10) . . . . ?
Cs2 O10 C03C C00U -140.9(10) 2_656 . . . ?
Cs2 O10 C03C C42 42.2(13) 2_656 . . . ?
C48 C1 C40 C19 168.5(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.916(19)
2 0.084(19)

