# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2308016'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-11-15 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2023-09-27
_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         'C50 H52 Dy2 F6 N8 O12, 2(C3 H7 N O)'
_chemical_formula_sum            'C56 H66 Dy2 F6 N10 O14'
_chemical_formula_weight         1542.18
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFC
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'
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'
Dy Dy -0.1892 4.4098 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.9091(2)
_cell_length_b                   18.6155(2)
_cell_length_c                   13.9636(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.0150(10)
_cell_angle_gamma                90
_cell_volume                     3091.36(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    41854
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      31.1000
_cell_measurement_theta_min      1.4220
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.487
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0169
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.879
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            53168
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.839
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.025
_diffrn_reflns_theta_min         1.460
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.879
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     13.00  39.00   0.50    2.00    --    5.00  45.00 120.00   52
  2  ω    -42.00   3.00   0.50    2.00    --    5.00  45.00 120.00   90
  3  ω    -97.00  71.00   0.50    2.00    --  -11.50  45.00  60.00  336
  4  ω    -96.00 -56.00   0.50    2.00    --  -11.50  45.00 171.44   80
  5  ω    -93.00 -64.00   0.50    2.00    --  -11.50  45.00 128.67   58
  6  ω    -14.00  77.00   0.50    2.00    --  -11.50  45.00 128.67  182
  7  ω     10.00  70.00   0.50    2.00    --  -11.50  45.00  18.92  120
  8  ω    -23.00  76.00   0.50    2.00    --  -11.50  45.00 171.44  198
  9  ω    -71.00 -45.00   0.50    2.00    --  -11.50  45.00  18.92   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0457126000
_diffrn_orient_matrix_UB_12      0.0001586000
_diffrn_orient_matrix_UB_13      -0.0346825000
_diffrn_orient_matrix_UB_21      0.0288704000
_diffrn_orient_matrix_UB_22      -0.0248883000
_diffrn_orient_matrix_UB_23      -0.0283134000
_diffrn_orient_matrix_UB_31      -0.0252127000
_diffrn_orient_matrix_UB_32      -0.0288623000
_diffrn_orient_matrix_UB_33      0.0240949000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.856
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.795
_reflns_number_gt                16145
_reflns_number_total             16564
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.793
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.063
_refine_ls_abs_structure_details 
;
 Flack x determined using 7259 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.007(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     806
_refine_ls_number_reflns         16564
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0185
_refine_ls_R_factor_gt           0.0177
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0199P)²+1.9122P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0428
_refine_ls_wR_factor_ref         0.0432
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 Dy1-H1WA \\sim Dy1-H1WB
 with sigma of 0.02
 Dy2-H2WA \\sim Dy2-H2WB
 with sigma of 0.02
3.a Free rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
3.b Ternary CH refined with riding coordinates:
 C46(H46), C21(H21)
3.c Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B), C19(H19A,H19B), C20(H20A,H20B), C44(H44A,H44B)
3.d Aromatic/amide H refined with riding coordinates:
 C33(H33), C36(H36), C54(H54), C11(H11), C3(H3), C4(H4), C5(H5), C30(H30),
 C12(H12), C38(H38), C28(H28), C29(H29), C37(H37), C8(H8), C13(H13), C51(H51)
3.e Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C26(H26A,H26B,H26C), C49(H49A,H49B,H49C), C48(H48A,H48B,
 H48C), C1(H1A,H1B,H1C), C56(H56A,H56B,H56C), C55(H55A,H55B,H55C), C50(H50A,
 H50B,H50C), C25(H25A,H25B,H25C), C24(H24A,H24B,H24C), C52(H52A,H52B,H52C),
 C53(H53A,H53B,H53C)
;
_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
Dy1 Dy 0.39540(2) 0.54230(2) 0.65475(2) 0.01522(4) Uani 1 1 d D . . . .
Dy2 Dy 0.59861(2) 0.45704(2) 0.85148(2) 0.01554(4) Uani 1 1 d D . . . .
F1 F 0.0988(2) 0.32077(19) 0.6834(2) 0.0494(8) Uani 1 1 d . . . . .
F5 F 0.7619(4) 0.73626(18) 0.8582(3) 0.0758(13) Uani 1 1 d . . . . .
F3 F 0.2498(3) 0.3254(2) 0.7706(2) 0.0570(10) Uani 1 1 d . . . . .
F4 F 0.7499(3) 0.67245(18) 0.73027(19) 0.0470(8) Uani 1 1 d . . . . .
F2 F 0.2416(4) 0.26438(17) 0.6399(3) 0.0723(12) Uani 1 1 d . . . . .
F6 F 0.8983(3) 0.6732(2) 0.8201(2) 0.0601(10) Uani 1 1 d . . . . .
O10 O 0.6694(2) 0.49828(16) 1.00717(18) 0.0267(6) Uani 1 1 d . . . . .
O2 O 0.3033(2) 0.63727(16) 0.6005(2) 0.0231(6) Uani 1 1 d . . . . .
O7 O 0.3368(2) 0.42162(15) 0.66408(17) 0.0210(5) Uani 1 1 d . . . . .
O6 O 0.5735(2) 0.49125(14) 0.68833(16) 0.0167(5) Uani 1 1 d . . . . .
O5 O 0.6896(2) 0.36419(17) 0.9110(2) 0.0248(6) Uani 1 1 d . . . . .
O1 O 0.2510(3) 0.70499(19) 0.4388(2) 0.0350(7) Uani 1 1 d . . . . .
O4 O 0.7433(2) 0.29794(19) 1.0733(2) 0.0350(7) Uani 1 1 d . . . . .
O9 O 0.6619(2) 0.57553(15) 0.83495(17) 0.0221(5) Uani 1 1 d . . . . .
O3 O 0.4199(2) 0.50616(14) 0.81704(16) 0.0171(5) Uani 1 1 d . . . . .
O12 O 0.4722(3) 0.77806(17) 0.7102(2) 0.0376(7) Uani 1 1 d . . . . .
O8 O 0.3151(2) 0.50775(16) 0.50095(18) 0.0247(5) Uani 1 1 d . . . . .
O1W O 0.4920(3) 0.63719(16) 0.7304(2) 0.0288(7) Uani 1 1 d G . . . .
H1WA H 0.484339 0.682357 0.724138 0.043 Uiso 1 1 d DG U . . .
H1WB H 0.548216 0.632188 0.769883 0.043 Uiso 1 1 d DG U . . .
O2W O 0.5033(3) 0.36084(17) 0.7750(2) 0.0284(6) Uani 1 1 d G . . . .
H2WA H 0.519218 0.316430 0.772012 0.043 Uiso 1 1 d DG U . . .
H2WB H 0.447678 0.366260 0.735002 0.043 Uiso 1 1 d DG U . . .
N3 N 0.4526(3) 0.42681(18) 0.9702(2) 0.0186(6) Uani 1 1 d . . . . .
N4 N 0.2805(3) 0.3953(2) 1.0918(2) 0.0296(8) Uani 1 1 d . . . . .
N5 N 0.7646(3) 0.44525(19) 0.7576(2) 0.0208(7) Uani 1 1 d . . . . .
N10 N 0.4394(4) 0.8473(2) 0.5791(3) 0.0404(9) Uani 1 1 d . . . . .
N8 N 0.7139(3) 0.5996(2) 0.4117(2) 0.0313(8) Uani 1 1 d . . . . .
N2 N 0.2272(2) 0.51232(18) 0.8351(2) 0.0204(6) Uani 1 1 d . . . . .
N7 N 0.5437(3) 0.56916(19) 0.5341(2) 0.0217(7) Uani 1 1 d . . . . .
N6 N 0.7651(3) 0.48170(18) 0.6687(2) 0.0223(6) Uani 1 1 d . . . . .
N1 N 0.2278(2) 0.5502(2) 0.7476(2) 0.0199(6) Uani 1 1 d . . . . .
C6 C 0.1106(3) 0.6194(2) 0.6341(3) 0.0235(7) Uani 1 1 d . . . . .
C45 C 0.7905(3) 0.6871(2) 1.0987(3) 0.0329(8) Uani 1 1 d . . . . .
H45A H 0.835735 0.721757 1.138268 0.039 Uiso 1 1 calc R U . . .
H45B H 0.731265 0.713432 1.060626 0.039 Uiso 1 1 calc R U . . .
C23 C 0.0579(4) 0.3585(3) 0.3004(3) 0.0421(10) Uani 1 1 d . . . . .
H23A H -0.010200 0.387646 0.304476 0.063 Uiso 1 1 calc R U . . .
H23B H 0.038831 0.307588 0.306644 0.063 Uiso 1 1 calc R U . . .
H23C H 0.090453 0.366663 0.238254 0.063 Uiso 1 1 calc R U . . .
C16 C 0.1943(3) 0.4097(2) 0.5422(2) 0.0209(7) Uani 1 1 d . . . . .
C47 C 0.9130(3) 0.58431(19) 1.1023(2) 0.0275(7) Uani 1 1 d . . . . .
C33 C 0.8600(3) 0.4167(2) 0.7848(3) 0.0233(8) Uani 1 1 d . . . . .
H33 H 0.920233 0.421885 0.743349 0.028 Uiso 1 1 calc R U . . .
C36 C 0.7334(3) 0.5607(2) 0.4920(2) 0.0253(8) Uani 1 1 d . . . . .
H36 H 0.807033 0.543120 0.507201 0.030 Uiso 1 1 calc R U . . .
C34 C 0.6644(3) 0.50359(19) 0.6433(2) 0.0177(6) Uani 1 1 d . . . . .
C46 C 0.8652(3) 0.64280(18) 1.0334(2) 0.0233(7) Uani 1 1 d . . . . .
H46 H 0.922668 0.671067 0.999756 0.028 Uiso 1 1 calc R U . . .
C42 C 0.7407(3) 0.5452(2) 1.0288(2) 0.0222(6) Uani 1 1 d . . . . .
C54 C 0.4524(4) 0.7854(3) 0.6242(3) 0.0364(10) Uani 1 1 d . . . . .
H54 H 0.445805 0.742919 0.586508 0.044 Uiso 1 1 calc R U . . .
C26 C 0.7725(5) 0.2651(4) 1.1631(4) 0.0496(14) Uani 1 1 d . . . . .
H26A H 0.809983 0.219172 1.152431 0.074 Uiso 1 1 calc R U . . .
H26B H 0.704192 0.256767 1.197732 0.074 Uiso 1 1 calc R U . . .
H26C H 0.823273 0.296775 1.201024 0.074 Uiso 1 1 calc R U . . .
C49 C 0.9836(4) 0.6152(3) 1.1873(3) 0.0412(10) Uani 1 1 d . . . . .
H49A H 1.050799 0.638401 1.164026 0.062 Uiso 1 1 calc R U . . .
H49B H 1.006227 0.576273 1.231552 0.062 Uiso 1 1 calc R U . . .
H49C H 0.939078 0.650547 1.220811 0.062 Uiso 1 1 calc R U . . .
C11 C 0.2619(3) 0.4328(2) 1.0127(3) 0.0249(8) Uani 1 1 d . . . . .
H11 H 0.187751 0.449360 0.996890 0.030 Uiso 1 1 calc R U . . .
C32 C 0.7966(3) 0.3540(2) 0.9315(3) 0.0207(7) Uani 1 1 d . . . . .
C48 C 0.9819(3) 0.5279(2) 1.0529(3) 0.0393(9) Uani 1 1 d . . . . .
H48A H 0.938267 0.509038 0.996928 0.059 Uiso 1 1 calc R U . . .
H48B H 1.000255 0.488584 1.097709 0.059 Uiso 1 1 calc R U . . .
H48C H 1.051477 0.549642 1.032140 0.059 Uiso 1 1 calc R U . . .
C1 C 0.2216(5) 0.7387(4) 0.3490(4) 0.0515(14) Uani 1 1 d . . . . .
H1A H 0.172610 0.706675 0.309843 0.077 Uiso 1 1 calc R U . . .
H1B H 0.290053 0.748640 0.315262 0.077 Uiso 1 1 calc R U . . .
H1C H 0.182070 0.783822 0.360187 0.077 Uiso 1 1 calc R U . . .
C56 C 0.4487(5) 0.9152(3) 0.6312(4) 0.0531(13) Uani 1 1 d . . . . .
H56A H 0.375208 0.939096 0.629100 0.080 Uiso 1 1 calc R U . . .
H56B H 0.503425 0.946257 0.601403 0.080 Uiso 1 1 calc R U . . .
H56C H 0.473569 0.905968 0.698060 0.080 Uiso 1 1 calc R U . . .
C3 C 0.0510(4) 0.6960(2) 0.4674(3) 0.0303(9) Uani 1 1 d . . . . .
H3 H 0.030840 0.721862 0.410351 0.036 Uiso 1 1 calc R U . . .
C4 C -0.0326(3) 0.6714(2) 0.5247(3) 0.0314(9) Uani 1 1 d . . . . .
H4 H -0.109399 0.680642 0.507219 0.038 Uiso 1 1 calc R U . . .
C35 C 0.6479(3) 0.5457(3) 0.5536(2) 0.0196(6) Uani 1 1 d . . . . .
C18 C 0.1671(3) 0.4623(2) 0.3880(2) 0.0254(6) Uani 1 1 d . . . . .
C55 C 0.4204(8) 0.8515(3) 0.4758(4) 0.087(3) Uani 1 1 d . . . . .
H55A H 0.428258 0.803550 0.447939 0.131 Uiso 1 1 calc R U . . .
H55B H 0.475770 0.883979 0.449500 0.131 Uiso 1 1 calc R U . . .
H55C H 0.344494 0.869752 0.460177 0.131 Uiso 1 1 calc R U . . .
C5 C -0.0038(3) 0.6334(2) 0.6069(3) 0.0275(8) Uani 1 1 d . . . . .
H5 H -0.061112 0.616390 0.645915 0.033 Uiso 1 1 calc R U . . .
C15 C 0.2492(3) 0.39072(19) 0.6259(2) 0.0186(7) Uani 1 1 d . . . . .
C50 C 0.7855(5) 0.4938(3) 1.1960(3) 0.0426(12) Uani 1 1 d . . . . .
H50A H 0.826277 0.452657 1.171256 0.064 Uiso 1 1 calc R U . . .
H50B H 0.706229 0.481100 1.201131 0.064 Uiso 1 1 calc R U . . .
H50C H 0.818251 0.506955 1.259487 0.064 Uiso 1 1 calc R U . . .
C10 C 0.3463(3) 0.4493(2) 0.9513(2) 0.0182(7) Uani 1 1 d . . . . .
C39 C 0.7856(4) 0.6739(2) 0.8214(3) 0.0305(9) Uani 1 1 d . . . . .
C14 C 0.2103(4) 0.3251(3) 0.6801(3) 0.0304(9) Uani 1 1 d . . . . .
C9 C 0.3288(3) 0.49240(19) 0.8617(2) 0.0176(6) Uani 1 1 d . . . . .
C30 C 0.9959(3) 0.3625(2) 0.8992(3) 0.0280(8) Uani 1 1 d . . . . .
H30 H 1.053216 0.377136 0.858591 0.034 Uiso 1 1 calc R U . . .
C41 C 0.7845(3) 0.6000(2) 0.9686(2) 0.0214(7) Uani 1 1 d . . . . .
C12 C 0.3859(3) 0.3731(2) 1.1101(3) 0.0285(8) Uani 1 1 d . . . . .
H12 H 0.402766 0.345776 1.166551 0.034 Uiso 1 1 calc R U . . .
C38 C 0.5236(3) 0.6083(2) 0.4550(3) 0.0252(8) Uani 1 1 d . . . . .
H38 H 0.449931 0.626046 0.440058 0.030 Uiso 1 1 calc R U . . .
C2 C 0.1635(3) 0.6835(2) 0.4924(3) 0.0262(8) Uani 1 1 d . . . . .
C43 C 0.7945(3) 0.55664(19) 1.1286(2) 0.0266(7) Uani 1 1 d . . . . .
C25 C 0.2200(4) 0.5001(3) 0.3061(3) 0.0345(10) Uani 1 1 d . . . . .
H25A H 0.171420 0.494898 0.247696 0.052 Uiso 1 1 calc R U . . .
H25B H 0.293690 0.478856 0.295997 0.052 Uiso 1 1 calc R U . . .
H25C H 0.229178 0.551224 0.321537 0.052 Uiso 1 1 calc R U . . .
C28 C 0.9417(4) 0.3048(3) 1.0429(3) 0.0297(9) Uani 1 1 d . . . . .
H28 H 0.962521 0.280886 1.101264 0.036 Uiso 1 1 calc R U . . .
C19 C 0.0509(3) 0.4922(2) 0.4161(3) 0.0310(8) Uani 1 1 d . . . . .
H19A H 0.060379 0.537390 0.453149 0.037 Uiso 1 1 calc R U . . .
H19B H 0.001280 0.501493 0.358345 0.037 Uiso 1 1 calc R U . . .
C7 C 0.1967(3) 0.6457(2) 0.5781(3) 0.0218(7) Uani 1 1 d . . . . .
C20 C 0.0023(3) 0.4321(2) 0.4782(3) 0.0322(8) Uani 1 1 d . . . . .
H20A H -0.013478 0.450095 0.542859 0.039 Uiso 1 1 calc R U . . .
H20B H -0.067664 0.412068 0.447437 0.039 Uiso 1 1 calc R U . . .
C31 C 0.8823(3) 0.3778(2) 0.8727(3) 0.0218(7) Uani 1 1 d . . . . .
C24 C 0.2486(4) 0.3348(2) 0.3706(3) 0.0371(9) Uani 1 1 d . . . . .
H24A H 0.230826 0.284093 0.380958 0.056 Uiso 1 1 calc R U . . .
H24B H 0.307377 0.350161 0.417957 0.056 Uiso 1 1 calc R U . . .
H24C H 0.275161 0.341083 0.305897 0.056 Uiso 1 1 calc R U . . .
C29 C 1.0244(3) 0.3271(3) 0.9825(3) 0.0309(9) Uani 1 1 d . . . . .
H29 H 1.101209 0.317583 0.999517 0.037 Uiso 1 1 calc R U . . .
C44 C 0.7397(3) 0.6285(2) 1.1610(3) 0.0344(8) Uani 1 1 d . . . . .
H44A H 0.656954 0.626779 1.150104 0.041 Uiso 1 1 calc R U . . .
H44B H 0.758097 0.637711 1.229900 0.041 Uiso 1 1 calc R U . . .
C40 C 0.7416(3) 0.6116(2) 0.8787(2) 0.0195(7) Uani 1 1 d . . . . .
C17 C 0.2367(3) 0.4651(2) 0.4823(2) 0.0198(6) Uani 1 1 d . . . . .
C37 C 0.6088(4) 0.6233(3) 0.3944(3) 0.0290(9) Uani 1 1 d . . . . .
H37 H 0.592068 0.651393 0.338694 0.035 Uiso 1 1 calc R U . . .
C22 C 0.1437(3) 0.37995(19) 0.3815(2) 0.0281(7) Uani 1 1 d . . . . .
C8 C 0.1318(3) 0.5776(2) 0.7207(3) 0.0216(7) Uani 1 1 d . . . . .
H8 H 0.070638 0.569784 0.760442 0.026 Uiso 1 1 calc R U . . .
C13 C 0.4717(3) 0.3882(2) 1.0502(3) 0.0242(8) Uani 1 1 d . . . . .
H13 H 0.545422 0.370963 1.066160 0.029 Uiso 1 1 calc R U . . .
C27 C 0.8303(3) 0.3171(2) 1.0184(3) 0.0252(8) Uani 1 1 d . . . . .
C21 C 0.0971(3) 0.3759(2) 0.4832(2) 0.0257(7) Uani 1 1 d . . . . .
H21 H 0.074587 0.326857 0.504261 0.031 Uiso 1 1 calc R U . . .
O11 O 0.5384(3) 0.22012(19) 0.7868(2) 0.0417(8) Uani 1 1 d . . . . .
N9 N 0.5768(4) 0.1504(2) 0.9174(3) 0.0503(11) Uani 1 1 d . . . . .
C52 C 0.5885(6) 0.0856(3) 0.8649(5) 0.0676(19) Uani 1 1 d . . . . .
H52A H 0.665276 0.067254 0.875608 0.101 Uiso 1 1 calc R U . . .
H52B H 0.573457 0.095105 0.796383 0.101 Uiso 1 1 calc R U . . .
H52C H 0.534942 0.049929 0.886479 0.101 Uiso 1 1 calc R U . . .
C53 C 0.5807(7) 0.1468(5) 1.0216(6) 0.080(2) Uiso 1 1 d . . . . .
H53A H 0.518518 0.116990 1.042057 0.120 Uiso 1 1 calc R U . . .
H53B H 0.573820 0.195324 1.047824 0.120 Uiso 1 1 calc R U . . .
H53C H 0.652346 0.125675 1.044986 0.120 Uiso 1 1 calc R U . . .
C51 C 0.5542(5) 0.2128(3) 0.8732(4) 0.0417(12) Uani 1 1 d . . . . .
H51 H 0.550237 0.254558 0.912045 0.050 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.90159(15) . ?
Dy1 O2 2.194(3) . ?
Dy1 O7 2.358(3) . ?
Dy1 O6 2.349(2) . ?
Dy1 O3 2.367(2) . ?
Dy1 O8 2.393(3) . ?
Dy1 O1W 2.330(3) . ?
Dy1 N7 2.553(3) . ?
Dy1 N1 2.441(3) . ?
Dy2 O10 2.415(3) . ?
Dy2 O6 2.369(2) . ?
Dy2 O5 2.181(3) . ?
Dy2 O9 2.346(3) . ?
Dy2 O3 2.343(2) . ?
Dy2 O2W 2.347(3) . ?
Dy2 N3 2.529(3) . ?
Dy2 N5 2.439(3) . ?
F1 C14 1.333(5) . ?
F5 C39 1.306(6) . ?
F3 C14 1.325(5) . ?
F4 C39 1.320(5) . ?
F2 C14 1.324(6) . ?
F6 C39 1.344(6) . ?
O10 C42 1.244(5) . ?
O2 C7 1.302(5) . ?
O7 C15 1.282(4) . ?
O6 C34 1.301(4) . ?
O5 C32 1.305(4) . ?
O1 C1 1.429(5) . ?
O1 C2 1.374(5) . ?
O4 C26 1.421(5) . ?
O4 C27 1.368(5) . ?
O9 C40 1.289(4) . ?
O3 C9 1.305(4) . ?
O12 C54 1.219(5) . ?
O8 C17 1.243(5) . ?
O1W H1WA 0.8498 . ?
O1W H1WB 0.8500 . ?
O2W H2WA 0.8496 . ?
O2W H2WB 0.8499 . ?
N3 C10 1.345(5) . ?
N3 C13 1.338(5) . ?
N4 C11 1.316(5) . ?
N4 C12 1.334(6) . ?
N5 N6 1.415(4) . ?
N5 C33 1.292(5) . ?
N10 C54 1.320(6) . ?
N10 C56 1.460(7) . ?
N10 C55 1.450(6) . ?
N8 C36 1.345(5) . ?
N8 C37 1.337(6) . ?
N2 N1 1.410(4) . ?
N2 C9 1.301(5) . ?
N7 C35 1.331(5) . ?
N7 C38 1.335(5) . ?
N6 C34 1.298(5) . ?
N1 C8 1.290(5) . ?
C6 C5 1.419(5) . ?
C6 C7 1.409(5) . ?
C6 C8 1.450(5) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.545(5) . ?
C45 C44 1.539(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C22 1.538(5) . ?
C16 C15 1.355(5) . ?
C16 C17 1.436(5) . ?
C16 C21 1.521(5) . ?
C47 C46 1.542(5) . ?
C47 C49 1.530(5) . ?
C47 C48 1.521(5) . ?
C47 C43 1.564(5) . ?
C33 H33 0.9500 . ?
C33 C31 1.438(5) . ?
C36 H36 0.9500 . ?
C36 C35 1.395(5) . ?
C34 C35 1.481(5) . ?
C46 H46 1.0000 . ?
C46 C41 1.512(5) . ?
C42 C41 1.436(5) . ?
C42 C43 1.518(4) . ?
C54 H54 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C10 1.389(4) . ?
C32 C31 1.415(5) . ?
C32 C27 1.433(5) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.387(6) . ?
C3 C2 1.387(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(6) . ?
C18 C25 1.509(5) . ?
C18 C19 1.561(5) . ?
C18 C17 1.518(4) . ?
C18 C22 1.560(5) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C5 H5 0.9500 . ?
C15 C14 1.523(5) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C50 C43 1.508(6) . ?
C10 C9 1.492(5) . ?
C39 C40 1.518(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.412(5) . ?
C30 C29 1.364(6) . ?
C41 C40 1.349(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.383(5) . ?
C38 H38 0.9500 . ?
C38 C37 1.383(5) . ?
C2 C7 1.425(5) . ?
C43 C44 1.566(5) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C28 H28 0.9500 . ?
C28 C29 1.393(6) . ?
C28 C27 1.371(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.547(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.539(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C24 C22 1.519(5) . ?
C29 H29 0.9500 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C37 H37 0.9500 . ?
C22 C21 1.554(5) . ?
C8 H8 0.9500 . ?
C13 H13 0.9500 . ?
C21 H21 1.0000 . ?
O11 C51 1.220(6) . ?
N9 C52 1.421(8) . ?
N9 C53 1.454(9) . ?
N9 C51 1.337(6) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C51 H51 0.9500 . ?

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
O2 Dy1 Dy2 148.32(8) . . ?
O2 Dy1 O7 129.98(10) . . ?
O2 Dy1 O6 145.55(9) . . ?
O2 Dy1 O3 126.41(9) . . ?
O2 Dy1 O8 74.80(10) . . ?
O2 Dy1 O1W 76.79(12) . . ?
O2 Dy1 N7 88.00(10) . . ?
O2 Dy1 N1 74.15(11) . . ?
O7 Dy1 Dy2 75.41(6) . . ?
O7 Dy1 O3 72.44(9) . . ?
O7 Dy1 O8 71.82(9) . . ?
O7 Dy1 N7 116.11(10) . . ?
O7 Dy1 N1 77.02(11) . . ?
O6 Dy1 Dy2 34.38(5) . . ?
O6 Dy1 O7 82.55(9) . . ?
O6 Dy1 O3 68.25(8) . . ?
O6 Dy1 O8 112.62(9) . . ?
O6 Dy1 N7 64.05(9) . . ?
O6 Dy1 N1 132.32(9) . . ?
O3 Dy1 Dy2 33.88(6) . . ?
O3 Dy1 O8 143.73(9) . . ?
O3 Dy1 N7 129.24(10) . . ?
O3 Dy1 N1 64.63(9) . . ?
O8 Dy1 Dy2 136.59(7) . . ?
O8 Dy1 N7 73.63(10) . . ?
O8 Dy1 N1 101.17(10) . . ?
O1W Dy1 Dy2 73.51(7) . . ?
O1W Dy1 O7 146.88(10) . . ?
O1W Dy1 O6 78.30(10) . . ?
O1W Dy1 O3 75.43(10) . . ?
O1W Dy1 O8 140.81(10) . . ?
O1W Dy1 N7 78.96(11) . . ?
O1W Dy1 N1 96.39(11) . . ?
N7 Dy1 Dy2 96.85(8) . . ?
N1 Dy1 Dy2 98.32(7) . . ?
N1 Dy1 N7 162.15(11) . . ?
O10 Dy2 Dy1 132.74(7) . . ?
O10 Dy2 N3 72.56(10) . . ?
O10 Dy2 N5 104.93(10) . . ?
O6 Dy2 Dy1 34.04(6) . . ?
O6 Dy2 O10 143.18(10) . . ?
O6 Dy2 N3 129.34(9) . . ?
O6 Dy2 N5 64.69(9) . . ?
O5 Dy2 Dy1 150.21(8) . . ?
O5 Dy2 O10 76.48(11) . . ?
O5 Dy2 O6 127.90(10) . . ?
O5 Dy2 O9 128.81(10) . . ?
O5 Dy2 O3 144.60(9) . . ?
O5 Dy2 O2W 77.71(13) . . ?
O5 Dy2 N3 85.35(10) . . ?
O5 Dy2 N5 74.50(10) . . ?
O9 Dy2 Dy1 74.87(6) . . ?
O9 Dy2 O10 72.00(9) . . ?
O9 Dy2 O6 71.20(9) . . ?
O9 Dy2 O2W 145.36(10) . . ?
O9 Dy2 N3 120.62(10) . . ?
O9 Dy2 N5 75.99(11) . . ?
O3 Dy2 Dy1 34.27(5) . . ?
O3 Dy2 O10 109.34(9) . . ?
O3 Dy2 O6 68.31(8) . . ?
O3 Dy2 O9 84.61(9) . . ?
O3 Dy2 O2W 78.01(10) . . ?
O3 Dy2 N3 64.70(9) . . ?
O3 Dy2 N5 132.71(9) . . ?
O2W Dy2 Dy1 73.91(7) . . ?
O2W Dy2 O10 142.16(10) . . ?
O2W Dy2 O6 74.56(10) . . ?
O2W Dy2 N3 78.22(11) . . ?
O2W Dy2 N5 94.18(11) . . ?
N3 Dy2 Dy1 97.45(8) . . ?
N5 Dy2 Dy1 98.55(7) . . ?
N5 Dy2 N3 159.62(11) . . ?
C42 O10 Dy2 130.0(2) . . ?
C7 O2 Dy1 130.1(3) . . ?
C15 O7 Dy1 129.9(2) . . ?
Dy1 O6 Dy2 111.58(9) . . ?
C34 O6 Dy1 126.7(2) . . ?
C34 O6 Dy2 116.5(2) . . ?
C32 O5 Dy2 131.2(3) . . ?
C2 O1 C1 116.7(4) . . ?
C27 O4 C26 116.7(3) . . ?
C40 O9 Dy2 132.5(2) . . ?
Dy2 O3 Dy1 111.85(9) . . ?
C9 O3 Dy1 116.7(2) . . ?
C9 O3 Dy2 126.5(2) . . ?
C17 O8 Dy1 128.4(2) . . ?
Dy1 O1W H1WA 131.0 . . ?
Dy1 O1W H1WB 124.4 . . ?
H1WA O1W H1WB 104.6 . . ?
Dy2 O2W H2WA 131.4 . . ?
Dy2 O2W H2WB 123.4 . . ?
H2WA O2W H2WB 104.6 . . ?
C10 N3 Dy2 118.3(2) . . ?
C13 N3 Dy2 125.0(3) . . ?
C13 N3 C10 116.7(3) . . ?
C11 N4 C12 116.2(3) . . ?
N6 N5 Dy2 118.0(2) . . ?
C33 N5 Dy2 127.1(2) . . ?
C33 N5 N6 114.3(3) . . ?
C54 N10 C56 121.0(4) . . ?
C54 N10 C55 122.0(5) . . ?
C55 N10 C56 116.9(4) . . ?
C37 N8 C36 116.6(3) . . ?
C9 N2 N1 110.0(3) . . ?
C35 N7 Dy1 118.1(2) . . ?
C35 N7 C38 118.2(3) . . ?
C38 N7 Dy1 123.6(3) . . ?
C34 N6 N5 110.2(3) . . ?
N2 N1 Dy1 118.1(2) . . ?
C8 N1 Dy1 127.3(2) . . ?
C8 N1 N2 113.9(3) . . ?
C5 C6 C8 116.4(3) . . ?
C7 C6 C5 120.3(4) . . ?
C7 C6 C8 123.4(3) . . ?
H45A C45 H45B 109.2 . . ?
C46 C45 H45A 111.3 . . ?
C46 C45 H45B 111.3 . . ?
C44 C45 H45A 111.3 . . ?
C44 C45 H45B 111.3 . . ?
C44 C45 C46 102.2(3) . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
C15 C16 C17 121.4(3) . . ?
C15 C16 C21 132.7(3) . . ?
C17 C16 C21 105.2(3) . . ?
C46 C47 C43 94.1(3) . . ?
C49 C47 C46 112.9(3) . . ?
C49 C47 C43 114.0(3) . . ?
C48 C47 C46 113.3(3) . . ?
C48 C47 C49 108.9(3) . . ?
C48 C47 C43 113.2(3) . . ?
N5 C33 H33 117.3 . . ?
N5 C33 C31 125.3(3) . . ?
C31 C33 H33 117.3 . . ?
N8 C36 H36 119.2 . . ?
N8 C36 C35 121.5(4) . . ?
C35 C36 H36 119.2 . . ?
O6 C34 C35 115.2(3) . . ?
N6 C34 O6 126.3(3) . . ?
N6 C34 C35 118.5(3) . . ?
C45 C46 H46 115.2 . . ?
C47 C46 C45 102.4(3) . . ?
C47 C46 H46 115.2 . . ?
C41 C46 C45 105.5(3) . . ?
C41 C46 C47 101.7(3) . . ?
C41 C46 H46 115.2 . . ?
O10 C42 C41 128.3(3) . . ?
O10 C42 C43 124.8(3) . . ?
C41 C42 C43 106.8(3) . . ?
O12 C54 N10 125.4(5) . . ?
O12 C54 H54 117.3 . . ?
N10 C54 H54 117.3 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N4 C11 H11 118.7 . . ?
N4 C11 C10 122.7(4) . . ?
C10 C11 H11 118.7 . . ?
O5 C32 C31 123.6(3) . . ?
O5 C32 C27 118.9(3) . . ?
C31 C32 C27 117.6(3) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N10 C56 H56A 109.5 . . ?
N10 C56 H56B 109.5 . . ?
N10 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.8(4) . . ?
C5 C4 H4 120.1 . . ?
N7 C35 C36 120.7(3) . . ?
N7 C35 C34 115.3(3) . . ?
C36 C35 C34 124.0(3) . . ?
C25 C18 C19 115.7(3) . . ?
C25 C18 C17 114.2(3) . . ?
C25 C18 C22 119.7(3) . . ?
C17 C18 C19 102.7(3) . . ?
C17 C18 C22 99.9(3) . . ?
C22 C18 C19 102.0(3) . . ?
N10 C55 H55A 109.5 . . ?
N10 C55 H55B 109.5 . . ?
N10 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C6 C5 H5 119.6 . . ?
C4 C5 C6 120.7(4) . . ?
C4 C5 H5 119.6 . . ?
O7 C15 C16 125.9(3) . . ?
O7 C15 C14 114.5(3) . . ?
C16 C15 C14 119.5(3) . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C43 C50 H50A 109.5 . . ?
C43 C50 H50B 109.5 . . ?
C43 C50 H50C 109.5 . . ?
N3 C10 C11 120.9(3) . . ?
N3 C10 C9 114.9(3) . . ?
C11 C10 C9 124.2(3) . . ?
F5 C39 F4 109.4(4) . . ?
F5 C39 F6 104.5(4) . . ?
F5 C39 C40 112.6(3) . . ?
F4 C39 F6 105.0(4) . . ?
F4 C39 C40 112.9(4) . . ?
F6 C39 C40 111.9(4) . . ?
F1 C14 C15 113.3(4) . . ?
F3 C14 F1 105.8(4) . . ?
F3 C14 C15 111.6(4) . . ?
F2 C14 F1 105.5(4) . . ?
F2 C14 F3 108.4(4) . . ?
F2 C14 C15 112.0(3) . . ?
O3 C9 C10 115.0(3) . . ?
N2 C9 O3 126.3(3) . . ?
N2 C9 C10 118.7(3) . . ?
C31 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.8(4) . . ?
C42 C41 C46 105.3(3) . . ?
C40 C41 C46 132.1(3) . . ?
C40 C41 C42 121.8(3) . . ?
N4 C12 H12 118.7 . . ?
N4 C12 C13 122.6(4) . . ?
C13 C12 H12 118.7 . . ?
N7 C38 H38 119.6 . . ?
N7 C38 C37 120.7(4) . . ?
C37 C38 H38 119.6 . . ?
O1 C2 C3 124.3(4) . . ?
O1 C2 C7 114.6(3) . . ?
C3 C2 C7 121.0(4) . . ?
C47 C43 C44 100.4(3) . . ?
C42 C43 C47 100.0(3) . . ?
C42 C43 C44 102.8(3) . . ?
C50 C43 C47 119.8(3) . . ?
C50 C43 C42 115.1(3) . . ?
C50 C43 C44 116.0(3) . . ?
C18 C25 H25A 109.5 . . ?
C18 C25 H25B 109.5 . . ?
C18 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.3(4) . . ?
C18 C19 H19A 110.9 . . ?
C18 C19 H19B 110.9 . . ?
H19A C19 H19B 108.9 . . ?
C20 C19 C18 104.2(3) . . ?
C20 C19 H19A 110.9 . . ?
C20 C19 H19B 110.9 . . ?
O2 C7 C6 123.6(3) . . ?
O2 C7 C2 119.0(3) . . ?
C6 C7 C2 117.4(3) . . ?
C19 C20 H20A 111.2 . . ?
C19 C20 H20B 111.2 . . ?
H20A C20 H20B 109.1 . . ?
C21 C20 C19 102.8(3) . . ?
C21 C20 H20A 111.2 . . ?
C21 C20 H20B 111.2 . . ?
C32 C31 C33 123.1(3) . . ?
C30 C31 C33 117.2(3) . . ?
C30 C31 C32 119.7(3) . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
C30 C29 C28 120.6(4) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C45 C44 C43 105.1(3) . . ?
C45 C44 H44A 110.7 . . ?
C45 C44 H44B 110.7 . . ?
C43 C44 H44A 110.7 . . ?
C43 C44 H44B 110.7 . . ?
H44A C44 H44B 108.8 . . ?
O9 C40 C39 114.5(3) . . ?
O9 C40 C41 126.2(3) . . ?
C41 C40 C39 119.3(3) . . ?
O8 C17 C16 128.3(3) . . ?
O8 C17 C18 125.0(3) . . ?
C16 C17 C18 106.8(3) . . ?
N8 C37 C38 122.2(4) . . ?
N8 C37 H37 118.9 . . ?
C38 C37 H37 118.9 . . ?
C23 C22 C18 114.1(3) . . ?
C23 C22 C21 113.9(3) . . ?
C24 C22 C23 107.5(3) . . ?
C24 C22 C18 113.8(3) . . ?
C24 C22 C21 113.5(3) . . ?
C21 C22 C18 93.7(3) . . ?
N1 C8 C6 124.6(3) . . ?
N1 C8 H8 117.7 . . ?
C6 C8 H8 117.7 . . ?
N3 C13 C12 121.0(4) . . ?
N3 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
O4 C27 C32 114.4(3) . . ?
O4 C27 C28 124.6(3) . . ?
C28 C27 C32 121.0(4) . . ?
C16 C21 C20 106.2(3) . . ?
C16 C21 C22 100.2(3) . . ?
C16 C21 H21 115.3 . . ?
C20 C21 C22 102.8(3) . . ?
C20 C21 H21 115.3 . . ?
C22 C21 H21 115.3 . . ?
C52 N9 C53 118.6(5) . . ?
C51 N9 C52 121.5(5) . . ?
C51 N9 C53 119.7(5) . . ?
N9 C52 H52A 109.5 . . ?
N9 C52 H52B 109.5 . . ?
N9 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N9 C53 H53A 109.5 . . ?
N9 C53 H53B 109.5 . . ?
N9 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O11 C51 N9 124.8(5) . . ?
O11 C51 H51 117.6 . . ?
N9 C51 H51 117.6 . . ?

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
Dy1 O2 C7 C6 43.4(5) . . . . ?
Dy1 O2 C7 C2 -136.5(3) . . . . ?
Dy1 O7 C15 C16 29.5(5) . . . . ?
Dy1 O7 C15 C14 -153.5(3) . . . . ?
Dy1 O6 C34 N6 171.6(3) . . . . ?
Dy1 O6 C34 C35 -9.6(4) . . . . ?
Dy1 O3 C9 N2 -17.6(5) . . . . ?
Dy1 O3 C9 C10 162.1(2) . . . . ?
Dy1 O8 C17 C16 -20.0(5) . . . . ?
Dy1 O8 C17 C18 160.4(2) . . . . ?
Dy1 N7 C35 C36 -177.9(3) . . . . ?
Dy1 N7 C35 C34 2.2(5) . . . . ?
Dy1 N7 C38 C37 177.4(3) . . . . ?
Dy1 N1 C8 C6 -10.3(6) . . . . ?
Dy2 O10 C42 C41 15.1(6) . . . . ?
Dy2 O10 C42 C43 -167.7(3) . . . . ?
Dy2 O6 C34 N6 19.4(5) . . . . ?
Dy2 O6 C34 C35 -161.8(3) . . . . ?
Dy2 O5 C32 C31 -40.8(5) . . . . ?
Dy2 O5 C32 C27 138.8(3) . . . . ?
Dy2 O9 C40 C39 155.7(3) . . . . ?
Dy2 O9 C40 C41 -26.3(5) . . . . ?
Dy2 O3 C9 N2 -170.5(3) . . . . ?
Dy2 O3 C9 C10 9.2(4) . . . . ?
Dy2 N3 C10 C11 178.4(3) . . . . ?
Dy2 N3 C10 C9 -1.9(4) . . . . ?
Dy2 N3 C13 C12 -178.7(3) . . . . ?
Dy2 N5 N6 C34 -13.6(4) . . . . ?
Dy2 N5 C33 C31 8.4(6) . . . . ?
F5 C39 C40 O9 112.5(5) . . . . ?
F5 C39 C40 C41 -65.6(6) . . . . ?
F4 C39 C40 O9 -12.0(5) . . . . ?
F4 C39 C40 C41 169.9(4) . . . . ?
F6 C39 C40 O9 -130.2(4) . . . . ?
F6 C39 C40 C41 51.7(5) . . . . ?
O10 C42 C41 C46 178.3(4) . . . . ?
O10 C42 C41 C40 7.5(6) . . . . ?
O10 C42 C43 C47 148.2(4) . . . . ?
O10 C42 C43 C50 18.5(6) . . . . ?
O10 C42 C43 C44 -108.5(4) . . . . ?
O7 C15 C14 F1 139.8(4) . . . . ?
O7 C15 C14 F3 20.5(5) . . . . ?
O7 C15 C14 F2 -101.1(4) . . . . ?
O6 C34 C35 N7 4.0(5) . . . . ?
O6 C34 C35 C36 -175.9(4) . . . . ?
O5 C32 C31 C33 0.9(6) . . . . ?
O5 C32 C31 C30 -178.2(4) . . . . ?
O5 C32 C27 O4 -1.9(5) . . . . ?
O5 C32 C27 C28 179.7(4) . . . . ?
O1 C2 C7 O2 2.7(5) . . . . ?
O1 C2 C7 C6 -177.3(4) . . . . ?
N3 C10 C9 O3 -4.0(5) . . . . ?
N3 C10 C9 N2 175.7(3) . . . . ?
N4 C11 C10 N3 0.4(6) . . . . ?
N4 C11 C10 C9 -179.2(4) . . . . ?
N4 C12 C13 N3 0.4(7) . . . . ?
N5 N6 C34 O6 -3.7(5) . . . . ?
N5 N6 C34 C35 177.6(3) . . . . ?
N5 C33 C31 C32 12.8(7) . . . . ?
N5 C33 C31 C30 -168.0(4) . . . . ?
N8 C36 C35 N7 0.5(7) . . . . ?
N8 C36 C35 C34 -179.7(4) . . . . ?
N2 N1 C8 C6 179.4(4) . . . . ?
N7 C38 C37 N8 0.2(7) . . . . ?
N6 N5 C33 C31 179.1(4) . . . . ?
N6 C34 C35 N7 -177.1(4) . . . . ?
N6 C34 C35 C36 3.0(6) . . . . ?
N1 N2 C9 O3 1.6(5) . . . . ?
N1 N2 C9 C10 -178.1(3) . . . . ?
C45 C46 C41 C42 -72.8(3) . . . . ?
C45 C46 C41 C40 96.6(4) . . . . ?
C23 C22 C21 C16 -172.4(3) . . . . ?
C23 C22 C21 C20 -63.0(4) . . . . ?
C16 C15 C14 F1 -43.0(5) . . . . ?
C16 C15 C14 F3 -162.2(4) . . . . ?
C16 C15 C14 F2 76.1(5) . . . . ?
C47 C46 C41 C42 33.7(3) . . . . ?
C47 C46 C41 C40 -156.8(4) . . . . ?
C47 C43 C44 C45 32.7(3) . . . . ?
C33 N5 N6 C34 174.9(4) . . . . ?
C36 N8 C37 C38 -0.7(7) . . . . ?
C46 C45 C44 C43 2.5(4) . . . . ?
C46 C47 C43 C42 51.6(3) . . . . ?
C46 C47 C43 C50 178.2(3) . . . . ?
C46 C47 C43 C44 -53.6(3) . . . . ?
C46 C41 C40 O9 -170.5(4) . . . . ?
C46 C41 C40 C39 7.4(6) . . . . ?
C42 C41 C40 O9 -2.5(6) . . . . ?
C42 C41 C40 C39 175.3(4) . . . . ?
C42 C43 C44 C45 -70.2(3) . . . . ?
C26 O4 C27 C32 -176.3(4) . . . . ?
C26 O4 C27 C28 2.0(7) . . . . ?
C49 C47 C46 C45 -61.4(4) . . . . ?
C49 C47 C46 C41 -170.3(3) . . . . ?
C49 C47 C43 C42 168.9(3) . . . . ?
C49 C47 C43 C50 -64.5(5) . . . . ?
C49 C47 C43 C44 63.7(4) . . . . ?
C11 N4 C12 C13 0.1(6) . . . . ?
C11 C10 C9 O3 175.6(4) . . . . ?
C11 C10 C9 N2 -4.7(6) . . . . ?
C48 C47 C46 C45 174.3(3) . . . . ?
C48 C47 C46 C41 65.4(4) . . . . ?
C48 C47 C43 C42 -65.9(4) . . . . ?
C48 C47 C43 C50 60.7(4) . . . . ?
C48 C47 C43 C44 -171.1(3) . . . . ?
C1 O1 C2 C3 -3.8(7) . . . . ?
C1 O1 C2 C7 175.9(4) . . . . ?
C56 N10 C54 O12 0.3(8) . . . . ?
C3 C4 C5 C6 0.3(7) . . . . ?
C3 C2 C7 O2 -177.6(4) . . . . ?
C3 C2 C7 C6 2.4(6) . . . . ?
C4 C3 C2 O1 178.8(4) . . . . ?
C4 C3 C2 C7 -0.8(7) . . . . ?
C35 N7 C38 C37 0.7(6) . . . . ?
C18 C19 C20 C21 2.5(3) . . . . ?
C18 C22 C21 C16 -53.9(3) . . . . ?
C18 C22 C21 C20 55.5(3) . . . . ?
C55 N10 C54 O12 177.4(6) . . . . ?
C5 C6 C7 O2 177.4(4) . . . . ?
C5 C6 C7 C2 -2.7(6) . . . . ?
C5 C6 C8 N1 168.4(4) . . . . ?
C15 C16 C17 O8 -9.8(6) . . . . ?
C15 C16 C17 C18 169.8(3) . . . . ?
C15 C16 C21 C20 119.5(4) . . . . ?
C15 C16 C21 C22 -133.9(4) . . . . ?
C50 C43 C44 C45 163.3(3) . . . . ?
C10 N3 C13 C12 -0.4(6) . . . . ?
C9 N2 N1 Dy1 14.8(4) . . . . ?
C9 N2 N1 C8 -173.9(4) . . . . ?
C41 C42 C43 C47 -34.0(4) . . . . ?
C41 C42 C43 C50 -163.7(4) . . . . ?
C41 C42 C43 C44 69.2(3) . . . . ?
C12 N4 C11 C10 -0.4(6) . . . . ?
C38 N7 C35 C36 -1.0(6) . . . . ?
C38 N7 C35 C34 179.1(4) . . . . ?
C2 C3 C4 C5 -0.6(7) . . . . ?
C43 C47 C46 C45 56.9(3) . . . . ?
C43 C47 C46 C41 -52.1(3) . . . . ?
C43 C42 C41 C46 0.6(4) . . . . ?
C43 C42 C41 C40 -170.1(3) . . . . ?
C25 C18 C19 C20 164.1(3) . . . . ?
C25 C18 C17 O8 17.2(5) . . . . ?
C25 C18 C17 C16 -162.4(3) . . . . ?
C25 C18 C22 C23 -63.7(5) . . . . ?
C25 C18 C22 C24 60.2(4) . . . . ?
C25 C18 C22 C21 178.0(3) . . . . ?
C19 C18 C17 O8 -108.9(4) . . . . ?
C19 C18 C17 C16 71.5(3) . . . . ?
C19 C18 C22 C23 65.5(4) . . . . ?
C19 C18 C22 C24 -170.6(3) . . . . ?
C19 C18 C22 C21 -52.8(3) . . . . ?
C19 C20 C21 C16 67.7(3) . . . . ?
C19 C20 C21 C22 -37.0(3) . . . . ?
C7 C6 C5 C4 1.4(6) . . . . ?
C7 C6 C8 N1 -11.7(6) . . . . ?
C31 C32 C27 O4 177.7(4) . . . . ?
C31 C32 C27 C28 -0.6(6) . . . . ?
C31 C30 C29 C28 0.5(7) . . . . ?
C24 C22 C21 C16 64.1(4) . . . . ?
C24 C22 C21 C20 173.5(3) . . . . ?
C29 C30 C31 C33 178.7(4) . . . . ?
C29 C30 C31 C32 -2.1(6) . . . . ?
C29 C28 C27 O4 -179.2(4) . . . . ?
C29 C28 C27 C32 -1.0(7) . . . . ?
C44 C45 C46 C47 -37.7(3) . . . . ?
C44 C45 C46 C41 68.3(3) . . . . ?
C17 C16 C15 O7 5.3(6) . . . . ?
C17 C16 C15 C14 -171.6(3) . . . . ?
C17 C16 C21 C20 -70.5(3) . . . . ?
C17 C16 C21 C22 36.1(3) . . . . ?
C17 C18 C19 C20 -70.8(3) . . . . ?
C17 C18 C22 C23 170.9(3) . . . . ?
C17 C18 C22 C24 -65.2(3) . . . . ?
C17 C18 C22 C21 52.6(3) . . . . ?
C37 N8 C36 C35 0.4(6) . . . . ?
C22 C18 C19 C20 32.4(3) . . . . ?
C22 C18 C17 O8 146.3(3) . . . . ?
C22 C18 C17 C16 -33.3(3) . . . . ?
C8 C6 C5 C4 -178.6(4) . . . . ?
C8 C6 C7 O2 -2.6(6) . . . . ?
C8 C6 C7 C2 177.3(4) . . . . ?
C13 N3 C10 C11 0.1(6) . . . . ?
C13 N3 C10 C9 179.7(3) . . . . ?
C27 C32 C31 C33 -178.7(4) . . . . ?
C27 C32 C31 C30 2.2(6) . . . . ?
C27 C28 C29 C30 1.1(7) . . . . ?
C21 C16 C15 O7 174.0(3) . . . . ?
C21 C16 C15 C14 -2.9(6) . . . . ?
C21 C16 C17 O8 178.8(3) . . . . ?
C21 C16 C17 C18 -1.6(4) . . . . ?
C52 N9 C51 O11 2.4(9) . . . . ?
C53 N9 C51 O11 -172.6(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.456
_oxdiff_exptl_absorpt_empirical_full_min 0.786
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_d4
_database_code_depnum_ccdc_archive 'CCDC 2308022'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-11-15 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2023-11-14
_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         'C56 H54 Dy2 F14 N6 O12, 2(C3 H7 N O)'
_chemical_formula_sum            'C62 H69 Dy2 F14 N8 O14'
_chemical_formula_weight         1741.25
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFDy
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'
Dy Dy -0.1892 4.4098 '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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   18.0384(5)
_cell_length_b                   10.5248(2)
_cell_length_c                   18.9442(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.627(3)
_cell_angle_gamma                90
_cell_volume                     3408.17(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    24529
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      30.8470
_cell_measurement_theta_min      1.8460
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.282
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1734
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.881
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            50504
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.832
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.093
_diffrn_reflns_theta_min         1.889
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00 -10.00   0.50    6.00    --    5.00  45.00 150.00   68
  2  ω    -65.00 -37.00   0.50    6.00    --    5.00  45.00  30.00   56
  3  ω    -25.00  77.00   0.50    6.00    --  -11.60  45.00 174.32  204
  4  ω   -101.00  72.00   0.50    6.00    --  -11.60  45.00 130.46  346
  5  ω    -99.00 -72.00   0.50    6.00    --  -11.60  45.00 174.32   54
  6  ω    -78.00  68.00   0.50    6.00    --  -11.60  45.00  67.04  292
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0288739000
_diffrn_orient_matrix_UB_12      -0.0017133000
_diffrn_orient_matrix_UB_13      0.0356660000
_diffrn_orient_matrix_UB_21      -0.0256280000
_diffrn_orient_matrix_UB_22      -0.0357703000
_diffrn_orient_matrix_UB_23      0.0139366000
_diffrn_orient_matrix_UB_31      0.0152409000
_diffrn_orient_matrix_UB_32      -0.0571290000
_diffrn_orient_matrix_UB_33      -0.0096724000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.800
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.778
_reflns_number_gt                16389
_reflns_number_total             18259
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         2.426
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.116
_refine_ls_abs_structure_details 
;
 Flack x determined using 6719 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.011(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     913
_refine_ls_number_reflns         18259
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0398
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0592P)²+3.9149P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1068
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Riding coordinates:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
2.b Ternary CH refined with riding coordinates:
 C33(H33), C47(H47)
2.c Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B), C46(H46A,H46B), C31(H31A,H31B), C32(H32A,H32B)
2.d Aromatic/amide H refined with riding coordinates:
 C18(H18), C14(H14), C27(H27), C22(H22), C19(H19), C4(H4), C26(H26), C8(H8),
 C17(H17), C13(H13), C28(H28), C12(H12), C11(H11), C3(H3), C25(H25), C5(H5),
 C57(H57), C60(H60)
2.e Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C1(H1A,H1B,H1C), C15(H15A,H15B,H15C), C52(H52A,H52B,
 H52C), C36(H36A,H36B,H36C), C51(H51A,H51B,H51C), C37(H37A,H37B,H37C), C50(H50A,
 H50B,H50C), C58(H58A,H58B,H58C), C59(H59A,H59B,H59C), C62(H62A,H62B,H62C),
 C61(H61A,H61B,H61C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.85641(2) 0.57198(2) 0.26124(2) 0.02537(9) Uani 1 1 d . . . . .
Dy2 Dy 0.64209(2) 0.46975(2) 0.24243(2) 0.02588(9) Uani 1 1 d . . . . .
F9 F 0.6445(3) 0.7983(5) 0.4881(3) 0.0444(11) Uani 1 1 d . . . . .
F7 F 0.7168(5) 0.1417(11) -0.0925(6) 0.139(4) Uani 1 1 d . . . . .
F1 F 0.8240(3) 0.4955(8) -0.0331(3) 0.0650(19) Uani 1 1 d . . . . .
F11 F 0.7761(5) 0.5510(10) 0.5071(4) 0.110(3) Uani 1 1 d . . . . .
F14 F 0.7246(4) 0.7484(9) 0.6291(3) 0.087(2) Uani 1 1 d . . . . .
F13 F 0.8064(6) 0.6014(10) 0.6497(4) 0.136(4) Uani 1 1 d . . . . .
F10 F 0.6710(4) 0.5495(8) 0.5399(3) 0.083(2) Uani 1 1 d . . . . .
F6 F 0.6577(4) 0.3153(12) -0.0936(5) 0.115(4) Uani 1 1 d . . . . .
F3 F 0.8487(4) 0.2363(9) 0.0003(4) 0.093(3) Uani 1 1 d . . . . .
F4 F 0.7510(4) 0.2344(7) 0.0421(4) 0.0698(17) Uani 1 1 d . . . . .
F8 F 0.7420(3) 0.7808(6) 0.4474(3) 0.0547(14) Uani 1 1 d . . . . .
F2 F 0.7265(3) 0.4867(7) 0.0120(3) 0.0571(14) Uani 1 1 d . . . . .
F12 F 0.8214(6) 0.7660(14) 0.5928(5) 0.135(5) Uani 1 1 d . . . . .
F5 F 0.7547(5) 0.3114(14) -0.1342(4) 0.147(5) Uani 1 1 d . . . . .
O10 O 0.6745(3) 0.6004(5) 0.3506(3) 0.0291(12) Uani 1 1 d . . . . .
O2 O 0.9490(3) 0.7154(6) 0.2989(3) 0.0371(13) Uani 1 1 d . . . . .
O6 O 0.7772(3) 0.4334(5) 0.3009(3) 0.0295(11) Uani 1 1 d . . . . .
O9 O 0.5236(3) 0.5463(6) 0.2570(3) 0.0332(12) Uani 1 1 d . . . . .
O1 O 1.0997(3) 0.7326(8) 0.3632(4) 0.0563(18) Uani 1 1 d . . . . .
O3 O 0.7218(3) 0.6163(5) 0.2059(2) 0.0255(10) Uani 1 1 d . . . . .
O7 O 0.9708(3) 0.4806(7) 0.2425(3) 0.0388(12) Uani 1 1 d . . . . .
O5 O 0.5532(3) 0.3190(6) 0.2037(3) 0.0369(13) Uani 1 1 d . . . . .
O4 O 0.4027(3) 0.2896(8) 0.1363(4) 0.0562(18) Uani 1 1 d . . . . .
O8 O 0.8178(3) 0.4606(7) 0.1470(3) 0.0360(12) Uani 1 1 d . . . . .
O1W O 0.8241(3) 0.6911(6) 0.3535(3) 0.0318(11) Uani 1 1 d . . . . .
H1WA H 0.815940 0.768557 0.339588 0.048 Uiso 1 1 d R U . . .
H1WB H 0.780140 0.665717 0.356419 0.048 Uiso 1 1 d R U . . .
O2W O 0.6776(3) 0.3529(6) 0.1506(3) 0.0360(13) Uani 1 1 d . . . . .
H2WA H 0.664047 0.275662 0.151579 0.054 Uiso 1 1 d R U . . .
H2WB H 0.727117 0.350392 0.162149 0.054 Uiso 1 1 d R U . . .
N4 N 0.6761(4) 0.2971(7) 0.3364(4) 0.0348(15) Uani 1 1 d . . . . .
N3 N 0.5742(4) 0.5952(7) 0.1270(3) 0.0313(15) Uani 1 1 d . . . . .
N2 N 0.7453(3) 0.7533(6) 0.1217(3) 0.0298(13) Uani 1 1 d . . . . .
N6 N 0.9263(4) 0.4428(7) 0.3771(3) 0.0317(16) Uani 1 1 d . . . . .
N5 N 0.7539(4) 0.2852(7) 0.3837(3) 0.0356(15) Uani 1 1 d . . . . .
N1 N 0.8237(4) 0.7440(6) 0.1690(3) 0.0283(13) Uani 1 1 d . . . . .
C55 C 0.7259(6) 0.6239(10) 0.5263(5) 0.059(2) Uani 1 1 d . . . . .
C38 C 1.0257(5) 0.2271(8) 0.1289(5) 0.0429(19) Uani 1 1 d . . . . .
H38A H 0.976788 0.233892 0.140743 0.064 Uiso 1 1 calc R U . . .
H38B H 1.066681 0.191951 0.171845 0.064 Uiso 1 1 calc R U . . .
H38C H 1.017879 0.170996 0.085858 0.064 Uiso 1 1 calc R U . . .
C18 C 0.4261(6) 0.1040(9) 0.3061(7) 0.055(3) Uani 1 1 d . . . . .
H18 H 0.397049 0.051800 0.328670 0.066 Uiso 1 1 calc R U . . .
C23 C 0.7996(4) 0.3602(8) 0.3602(4) 0.0300(15) Uani 1 1 d . . . . .
C6 C 0.9532(5) 0.8300(7) 0.1907(5) 0.0355(18) Uani 1 1 d . . . . .
C14 C 0.4985(4) 0.5779(12) 0.0882(4) 0.0379(16) Uani 1 1 d . . . . .
H14 H 0.468835 0.518165 0.105569 0.046 Uiso 1 1 calc R U . . .
C27 C 1.0405(5) 0.3839(11) 0.4752(5) 0.047(2) Uani 1 1 d . . . . .
H27 H 1.095017 0.394145 0.499896 0.057 Uiso 1 1 calc R U . . .
C48 C 0.5571(4) 0.6320(6) 0.3809(4) 0.0298(14) Uani 1 1 d . . . . .
C39 C 0.8531(4) 0.4531(7) 0.0975(4) 0.0328(14) Uani 1 1 d . . . . .
C1 C 1.1834(6) 0.7305(16) 0.3951(8) 0.075(4) Uani 1 1 d . . . . .
H1A H 1.206701 0.707199 0.356806 0.112 Uiso 1 1 calc R U . . .
H1B H 1.198522 0.668125 0.435624 0.112 Uiso 1 1 calc R U . . .
H1C H 1.201992 0.814907 0.414850 0.112 Uiso 1 1 calc R U . . .
C10 C 0.6148(4) 0.6761(8) 0.1005(4) 0.0301(15) Uani 1 1 d . . . . .
C34 C 0.9309(4) 0.4545(7) 0.1093(4) 0.0325(14) Uani 1 1 d . . . . .
C54 C 0.6863(4) 0.7106(8) 0.4634(4) 0.0402(16) Uani 1 1 d . . . . .
C45 C 0.4094(5) 0.7425(8) 0.3109(5) 0.0470(19) Uani 1 1 d . . . . .
H45A H 0.425073 0.781239 0.270238 0.056 Uiso 1 1 calc R U . . .
H45B H 0.353788 0.762903 0.303316 0.056 Uiso 1 1 calc R U . . .
C16 C 0.4322(5) 0.2327(10) 0.2030(5) 0.046(2) Uani 1 1 d . . . . .
C22 C 0.6302(5) 0.2170(8) 0.3515(5) 0.0354(18) Uani 1 1 d . . . . .
H22 H 0.651696 0.163784 0.393625 0.042 Uiso 1 1 calc R U . . .
C33 C 0.9826(4) 0.4405(8) 0.0598(4) 0.0397(16) Uani 1 1 d . . . . .
H33 H 0.955989 0.403595 0.009424 0.048 Uiso 1 1 calc R U . . .
C19 C 0.5023(6) 0.1232(9) 0.3412(6) 0.052(2) Uani 1 1 d . . . . .
H19 H 0.526482 0.084346 0.388239 0.062 Uiso 1 1 calc R U . . .
C42 C 0.7269(7) 0.2670(17) -0.0833(7) 0.086(4) Uani 1 1 d . . . . .
C46 C 0.4616(5) 0.7893(8) 0.3871(5) 0.0437(19) Uani 1 1 d . . . . .
H46A H 0.430044 0.826951 0.415939 0.052 Uiso 1 1 calc R U . . .
H46B H 0.499664 0.853337 0.381600 0.052 Uiso 1 1 calc R U . . .
C15 C 0.3206(6) 0.2824(17) 0.1011(8) 0.079(4) Uani 1 1 d . . . . .
H15A H 0.306223 0.330508 0.054370 0.118 Uiso 1 1 calc R U . . .
H15B H 0.293828 0.318422 0.134063 0.118 Uiso 1 1 calc R U . . .
H15C H 0.305184 0.193388 0.090550 0.118 Uiso 1 1 calc R U . . .
C41 C 0.7810(5) 0.2934(11) -0.0055(5) 0.060(3) Uani 1 1 d . . . . .
C20 C 0.5475(5) 0.2003(8) 0.3096(5) 0.0399(19) Uani 1 1 d . . . . .
C31 C 1.0773(5) 0.5762(8) 0.1406(5) 0.052(2) Uani 1 1 d . . . . .
H31A H 1.132250 0.586411 0.141654 0.062 Uiso 1 1 calc R U . . .
H31B H 1.063065 0.649347 0.166461 0.062 Uiso 1 1 calc R U . . .
C4 C 1.0791(6) 0.9097(9) 0.1891(7) 0.052(2) Uani 1 1 d . . . . .
H4 H 1.109753 0.955472 0.165168 0.063 Uiso 1 1 calc R U . . .
C52 C 0.3679(5) 0.5914(10) 0.4247(5) 0.054(2) Uani 1 1 d . . . . .
H52A H 0.349501 0.678715 0.412217 0.081 Uiso 1 1 calc R U . . .
H52B H 0.383169 0.579338 0.478717 0.081 Uiso 1 1 calc R U . . .
H52C H 0.325858 0.531878 0.399912 0.081 Uiso 1 1 calc R U . . .
C32 C 1.0219(5) 0.5669(10) 0.0596(5) 0.050(2) Uani 1 1 d . . . . .
H32A H 0.983451 0.637263 0.047584 0.060 Uiso 1 1 calc R U . . .
H32B H 1.051428 0.567513 0.023563 0.060 Uiso 1 1 calc R U . . .
C56 C 0.7701(6) 0.6845(13) 0.6009(5) 0.064(3) Uani 1 1 d . . . . .
C44 C 0.4227(4) 0.5980(8) 0.3142(4) 0.0353(18) Uani 1 1 d . . . . .
C2 C 1.0710(5) 0.7905(10) 0.2952(5) 0.045(2) Uani 1 1 d . . . . .
C49 C 0.4387(4) 0.5667(8) 0.3982(4) 0.0409(15) Uani 1 1 d . . . . .
C36 C 1.1302(5) 0.4231(12) 0.2495(5) 0.061(3) Uani 1 1 d . . . . .
H36A H 1.180446 0.413861 0.240400 0.091 Uiso 1 1 calc R U . . .
H36B H 1.117483 0.343711 0.270136 0.091 Uiso 1 1 calc R U . . .
H36C H 1.133642 0.492435 0.284878 0.091 Uiso 1 1 calc R U . . .
C51 C 0.4663(5) 0.4316(9) 0.4191(6) 0.050(2) Uani 1 1 d . . . . .
H51A H 0.479930 0.420800 0.473121 0.075 Uiso 1 1 calc R U . . .
H51B H 0.512363 0.414576 0.403815 0.075 Uiso 1 1 calc R U . . .
H51C H 0.424378 0.372251 0.393806 0.075 Uiso 1 1 calc R U . . .
C43 C 0.5057(4) 0.5838(10) 0.3113(4) 0.0328(16) Uani 1 1 d . . . . .
C47 C 0.5035(4) 0.6683(8) 0.4247(4) 0.0368(15) Uani 1 1 d . . . . .
H47 H 0.528899 0.674121 0.479885 0.044 Uiso 1 1 calc R U . . .
C21 C 0.5137(5) 0.2536(8) 0.2387(5) 0.0375(18) Uani 1 1 d . . . . .
C26 C 0.9967(8) 0.2970(11) 0.5020(6) 0.054(3) Uani 1 1 d . . . . .
H26 H 1.021049 0.247695 0.545214 0.064 Uiso 1 1 calc R U . . .
C35 C 1.0505(4) 0.3597(8) 0.1106(4) 0.0395(16) Uani 1 1 d . . . . .
C7 C 0.9878(5) 0.7750(8) 0.2628(5) 0.0368(17) Uani 1 1 d . . . . .
C8 C 0.8710(5) 0.8211(8) 0.1520(5) 0.0381(19) Uani 1 1 d . . . . .
H8 H 0.849660 0.876100 0.110750 0.046 Uiso 1 1 calc R U . . .
C37 C 1.1188(5) 0.3423(9) 0.0800(5) 0.053(2) Uani 1 1 d . . . . .
H37A H 1.160332 0.293312 0.115664 0.079 Uiso 1 1 calc R U . . .
H37B H 1.139134 0.425776 0.072413 0.079 Uiso 1 1 calc R U . . .
H37C H 1.100648 0.296828 0.032456 0.079 Uiso 1 1 calc R U . . .
C17 C 0.3883(5) 0.1596(10) 0.2364(7) 0.057(3) Uani 1 1 d . . . . .
H17 H 0.333798 0.147491 0.212478 0.068 Uiso 1 1 calc R U . . .
C13 C 0.4618(5) 0.6459(10) 0.0222(5) 0.048(2) Uani 1 1 d . . . . .
H13 H 0.407697 0.634275 -0.003839 0.058 Uiso 1 1 calc R U . . .
C28 C 1.0039(5) 0.4529(11) 0.4134(4) 0.041(2) Uani 1 1 d . . . . .
H28 H 1.033826 0.510457 0.394969 0.050 Uiso 1 1 calc R U . . .
C12 C 0.5045(8) 0.7275(14) -0.0033(6) 0.054(2) Uani 1 1 d . . . . .
H12 H 0.480959 0.773081 -0.048214 0.065 Uiso 1 1 calc R U . . .
C11 C 0.5836(5) 0.7453(10) 0.0364(4) 0.043(2) Uani 1 1 d . . . . .
H11 H 0.614743 0.803297 0.019649 0.051 Uiso 1 1 calc R U . . .
C53 C 0.6354(4) 0.6437(7) 0.3937(4) 0.0312(14) Uani 1 1 d . . . . .
C3 C 1.1137(5) 0.8540(10) 0.2582(6) 0.051(2) Uani 1 1 d . . . . .
H3 H 1.168815 0.860121 0.280660 0.062 Uiso 1 1 calc R U . . .
C25 C 0.9185(6) 0.2847(10) 0.4649(4) 0.046(2) Uani 1 1 d . . . . .
H25 H 0.887963 0.224594 0.480832 0.055 Uiso 1 1 calc R U . . .
C40 C 0.7966(4) 0.4354(9) 0.0189(4) 0.0434(18) Uani 1 1 d . . . . .
C30 C 1.0669(5) 0.4526(10) 0.1769(4) 0.0376(17) Uani 1 1 d . . . . .
C9 C 0.7000(4) 0.6838(8) 0.1455(4) 0.0271(14) Uani 1 1 d . . . . .
C50 C 0.3621(4) 0.5196(10) 0.2570(5) 0.051(2) Uani 1 1 d . . . . .
H50A H 0.372650 0.429096 0.267687 0.076 Uiso 1 1 calc R U . . .
H50B H 0.364568 0.538726 0.207149 0.076 Uiso 1 1 calc R U . . .
H50C H 0.309887 0.540332 0.259082 0.076 Uiso 1 1 calc R U . . .
C5 C 0.9990(5) 0.8973(8) 0.1557(6) 0.045(2) Uani 1 1 d . . . . .
H5 H 0.974702 0.934857 0.108308 0.054 Uiso 1 1 calc R U . . .
C24 C 0.8838(4) 0.3628(9) 0.4022(4) 0.0331(16) Uani 1 1 d . . . . .
C29 C 0.9854(4) 0.4644(10) 0.1839(4) 0.0310(14) Uani 1 1 d . . . . .
O11 O 0.6531(4) 0.1017(6) 0.1429(4) 0.0571(17) Uani 1 1 d . . . . .
N7 N 0.5982(4) -0.0407(8) 0.2021(4) 0.0418(15) Uani 1 1 d . . . . .
C57 C 0.6577(6) 0.0301(9) 0.1930(5) 0.056(2) Uani 1 1 d . . . . .
H57 H 0.707530 0.021682 0.229866 0.067 Uiso 1 1 calc R U . . .
C58 C 0.6178(8) -0.1233(12) 0.2668(6) 0.079(4) Uani 1 1 d . . . . .
H58A H 0.673087 -0.112161 0.295894 0.118 Uiso 1 1 calc R U . . .
H58B H 0.608476 -0.211956 0.250485 0.118 Uiso 1 1 calc R U . . .
H58C H 0.585186 -0.101708 0.297651 0.118 Uiso 1 1 calc R U . . .
C59 C 0.5227(6) -0.0314(12) 0.1532(7) 0.076(3) Uani 1 1 d . . . . .
H59A H 0.493870 0.033101 0.171195 0.115 Uiso 1 1 calc R U . . .
H59B H 0.496324 -0.113625 0.149885 0.115 Uiso 1 1 calc R U . . .
H59C H 0.524390 -0.006990 0.103785 0.115 Uiso 1 1 calc R U . . .
O12 O 0.8311(4) 0.9468(6) 0.3285(4) 0.0609(19) Uani 1 1 d . . . . .
N8 N 0.9135(5) 1.0843(10) 0.2999(4) 0.0508(19) Uani 1 1 d . . . . .
C62 C 0.8573(6) 1.1423(11) 0.2380(7) 0.073(3) Uani 1 1 d . . . . .
H62A H 0.868754 1.233219 0.237301 0.109 Uiso 1 1 calc R U . . .
H62B H 0.804944 1.130852 0.242119 0.109 Uiso 1 1 calc R U . . .
H62C H 0.859525 1.102790 0.191878 0.109 Uiso 1 1 calc R U . . .
C61 C 0.9944(6) 1.1241(10) 0.3169(6) 0.063(2) Uani 1 1 d . . . . .
H61A H 1.011485 1.109602 0.273397 0.094 Uiso 1 1 calc R U . . .
H61B H 1.027359 1.074758 0.359196 0.094 Uiso 1 1 calc R U . . .
H61C H 0.998891 1.214619 0.329592 0.094 Uiso 1 1 calc R U . . .
C60 C 0.8960(5) 0.9882(8) 0.3381(5) 0.0498(19) Uani 1 1 d . . . . .
H60 H 0.937903 0.949510 0.375798 0.060 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.9180(3) . ?
Dy1 O2 2.195(6) . ?
Dy1 O6 2.327(5) . ?
Dy1 O3 2.363(5) . ?
Dy1 O7 2.404(5) . ?
Dy1 O8 2.363(6) . ?
Dy1 O1W 2.369(5) . ?
Dy1 N6 2.547(6) . ?
Dy1 N1 2.454(6) . ?
Dy2 O10 2.380(5) . ?
Dy2 O6 2.364(5) . ?
Dy2 O9 2.381(5) . ?
Dy2 O3 2.358(5) . ?
Dy2 O5 2.208(6) . ?
Dy2 O2W 2.380(5) . ?
Dy2 N4 2.481(7) . ?
Dy2 N3 2.514(6) . ?
F9 C54 1.364(8) . ?
F7 C42 1.336(19) . ?
F1 C40 1.389(10) . ?
F11 C55 1.323(11) . ?
F14 C56 1.300(12) . ?
F13 C56 1.289(13) . ?
F10 C55 1.351(12) . ?
F6 C42 1.304(15) . ?
F3 C41 1.334(11) . ?
F4 C41 1.342(12) . ?
F8 C54 1.358(9) . ?
F2 C40 1.343(9) . ?
F12 C56 1.307(15) . ?
F5 C42 1.305(17) . ?
O10 C53 1.318(8) . ?
O2 C7 1.286(10) . ?
O6 C23 1.314(9) . ?
O9 C43 1.237(9) . ?
O1 C1 1.435(12) . ?
O1 C2 1.368(12) . ?
O3 C9 1.297(8) . ?
O7 C29 1.232(8) . ?
O5 C21 1.310(9) . ?
O4 C16 1.345(12) . ?
O4 C15 1.418(13) . ?
O8 C39 1.293(8) . ?
O1W H1WA 0.8551 . ?
O1W H1WB 0.8551 . ?
O2W H2WA 0.8502 . ?
O2W H2WB 0.8500 . ?
N4 N5 1.408(10) . ?
N4 C22 1.276(10) . ?
N3 C14 1.340(9) . ?
N3 C10 1.323(10) . ?
N2 N1 1.415(9) . ?
N2 C9 1.282(9) . ?
N6 C28 1.353(10) . ?
N6 C24 1.325(10) . ?
N5 C23 1.318(10) . ?
N1 C8 1.291(10) . ?
C55 C54 1.490(12) . ?
C55 C56 1.523(14) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C38 C35 1.539(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.338(14) . ?
C18 C17 1.407(16) . ?
C23 C24 1.474(11) . ?
C6 C7 1.431(12) . ?
C6 C8 1.432(12) . ?
C6 C5 1.405(11) . ?
C14 H14 0.9500 . ?
C14 C13 1.409(12) . ?
C27 H27 0.9500 . ?
C27 C26 1.406(15) . ?
C27 C28 1.356(13) . ?
C48 C43 1.440(10) . ?
C48 C47 1.513(9) . ?
C48 C53 1.360(10) . ?
C39 C34 1.348(10) . ?
C39 C40 1.523(10) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C10 C11 1.372(11) . ?
C10 C9 1.503(10) . ?
C34 C33 1.527(9) . ?
C34 C29 1.444(10) . ?
C54 C53 1.520(10) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.530(12) . ?
C45 C44 1.538(12) . ?
C16 C21 1.427(12) . ?
C16 C17 1.392(13) . ?
C22 H22 0.9500 . ?
C22 C20 1.459(12) . ?
C33 H33 1.0000 . ?
C33 C32 1.508(13) . ?
C33 C35 1.548(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.411(11) . ?
C42 C41 1.512(14) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.535(12) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C41 C40 1.563(14) . ?
C20 C21 1.404(13) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.544(13) . ?
C31 C30 1.512(12) . ?
C4 H4 0.9500 . ?
C4 C3 1.388(15) . ?
C4 C5 1.386(13) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C52 C49 1.536(10) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C44 C49 1.559(11) . ?
C44 C43 1.523(10) . ?
C44 C50 1.515(12) . ?
C2 C7 1.437(11) . ?
C2 C3 1.369(13) . ?
C49 C51 1.516(12) . ?
C49 C47 1.544(11) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C36 C30 1.512(12) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C47 H47 1.0000 . ?
C26 H26 0.9500 . ?
C26 C25 1.366(17) . ?
C35 C37 1.530(10) . ?
C35 C30 1.545(12) . ?
C8 H8 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C17 H17 0.9500 . ?
C13 H13 0.9500 . ?
C13 C12 1.342(16) . ?
C28 H28 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.398(15) . ?
C11 H11 0.9500 . ?
C3 H3 0.9500 . ?
C25 H25 0.9500 . ?
C25 C24 1.414(11) . ?
C30 C29 1.522(10) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C5 H5 0.9500 . ?
O11 C57 1.193(11) . ?
N7 C57 1.363(12) . ?
N7 C58 1.451(13) . ?
N7 C59 1.385(12) . ?
C57 H57 0.9500 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
O12 C60 1.206(11) . ?
N8 C62 1.420(13) . ?
N8 C61 1.452(12) . ?
N8 C60 1.339(12) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C60 H60 0.9500 . ?

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
O2 Dy1 Dy2 147.68(15) . . ?
O2 Dy1 O6 143.93(18) . . ?
O2 Dy1 O3 125.2(2) . . ?
O2 Dy1 O7 73.9(2) . . ?
O2 Dy1 O8 127.57(19) . . ?
O2 Dy1 O1W 74.80(18) . . ?
O2 Dy1 N6 88.4(2) . . ?
O2 Dy1 N1 73.1(2) . . ?
O6 Dy1 Dy2 33.67(12) . . ?
O6 Dy1 O3 67.50(15) . . ?
O6 Dy1 O7 116.2(2) . . ?
O6 Dy1 O8 87.30(19) . . ?
O6 Dy1 O1W 76.87(18) . . ?
O6 Dy1 N6 64.73(19) . . ?
O6 Dy1 N1 131.24(19) . . ?
O3 Dy1 Dy2 33.87(11) . . ?
O3 Dy1 O7 145.32(17) . . ?
O3 Dy1 O1W 76.27(16) . . ?
O3 Dy1 N6 130.00(17) . . ?
O3 Dy1 N1 63.84(18) . . ?
O7 Dy1 Dy2 138.21(18) . . ?
O7 Dy1 N6 72.67(19) . . ?
O7 Dy1 N1 102.3(2) . . ?
O8 Dy1 Dy2 77.69(13) . . ?
O8 Dy1 O3 74.41(18) . . ?
O8 Dy1 O7 71.45(19) . . ?
O8 Dy1 O1W 150.24(18) . . ?
O8 Dy1 N6 116.4(2) . . ?
O8 Dy1 N1 77.3(2) . . ?
O1W Dy1 Dy2 75.19(12) . . ?
O1W Dy1 O7 138.21(19) . . ?
O1W Dy1 N6 79.5(2) . . ?
O1W Dy1 N1 94.3(2) . . ?
N6 Dy1 Dy2 97.70(14) . . ?
N1 Dy1 Dy2 97.57(14) . . ?
N1 Dy1 N6 161.4(2) . . ?
O10 Dy2 Dy1 78.44(12) . . ?
O10 Dy2 O9 71.77(17) . . ?
O10 Dy2 N4 82.4(2) . . ?
O10 Dy2 N3 111.3(2) . . ?
O6 Dy2 Dy1 33.08(12) . . ?
O6 Dy2 O10 75.98(18) . . ?
O6 Dy2 O9 146.07(17) . . ?
O6 Dy2 O2W 77.34(17) . . ?
O6 Dy2 N4 64.1(2) . . ?
O6 Dy2 N3 129.47(18) . . ?
O9 Dy2 Dy1 142.43(14) . . ?
O9 Dy2 N4 101.0(2) . . ?
O9 Dy2 N3 73.57(19) . . ?
O3 Dy2 Dy1 33.96(12) . . ?
O3 Dy2 O10 82.52(16) . . ?
O3 Dy2 O6 66.99(15) . . ?
O3 Dy2 O9 117.82(18) . . ?
O3 Dy2 O2W 78.00(18) . . ?
O3 Dy2 N4 131.0(2) . . ?
O3 Dy2 N3 64.82(18) . . ?
O5 Dy2 Dy1 144.94(14) . . ?
O5 Dy2 O10 130.78(18) . . ?
O5 Dy2 O6 124.8(2) . . ?
O5 Dy2 O9 72.4(2) . . ?
O5 Dy2 O3 144.98(18) . . ?
O5 Dy2 O2W 73.9(2) . . ?
O5 Dy2 N4 72.5(2) . . ?
O5 Dy2 N3 89.3(2) . . ?
O2W Dy2 Dy1 73.77(14) . . ?
O2W Dy2 O10 151.50(18) . . ?
O2W Dy2 O9 136.12(18) . . ?
O2W Dy2 N4 94.8(2) . . ?
O2W Dy2 N3 78.8(2) . . ?
N4 Dy2 Dy1 97.18(16) . . ?
N4 Dy2 N3 161.8(2) . . ?
N3 Dy2 Dy1 97.32(14) . . ?
C53 O10 Dy2 134.4(4) . . ?
C7 O2 Dy1 130.5(5) . . ?
Dy1 O6 Dy2 113.2(2) . . ?
C23 O6 Dy1 126.2(5) . . ?
C23 O6 Dy2 118.9(4) . . ?
C43 O9 Dy2 133.4(5) . . ?
C2 O1 C1 115.8(8) . . ?
Dy2 O3 Dy1 112.16(19) . . ?
C9 O3 Dy1 118.6(4) . . ?
C9 O3 Dy2 125.1(4) . . ?
C29 O7 Dy1 129.0(5) . . ?
C21 O5 Dy2 131.6(5) . . ?
C16 O4 C15 117.3(9) . . ?
C39 O8 Dy1 128.7(5) . . ?
Dy1 O1W H1WA 109.7 . . ?
Dy1 O1W H1WB 109.6 . . ?
H1WA O1W H1WB 104.2 . . ?
Dy2 O2W H2WA 109.4 . . ?
Dy2 O2W H2WB 109.5 . . ?
H2WA O2W H2WB 104.5 . . ?
N5 N4 Dy2 119.3(5) . . ?
C22 N4 Dy2 127.9(6) . . ?
C22 N4 N5 112.6(7) . . ?
C14 N3 Dy2 122.3(6) . . ?
C10 N3 Dy2 119.6(5) . . ?
C10 N3 C14 118.0(7) . . ?
C9 N2 N1 111.0(5) . . ?
C28 N6 Dy1 122.9(6) . . ?
C24 N6 Dy1 117.7(5) . . ?
C24 N6 C28 119.3(7) . . ?
C23 N5 N4 109.5(6) . . ?
N2 N1 Dy1 117.8(4) . . ?
C8 N1 Dy1 127.8(6) . . ?
C8 N1 N2 113.9(6) . . ?
F11 C55 F10 109.0(10) . . ?
F11 C55 C54 109.4(8) . . ?
F11 C55 C56 107.3(8) . . ?
F10 C55 C54 108.3(8) . . ?
F10 C55 C56 105.2(8) . . ?
C54 C55 C56 117.4(9) . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
C19 C18 H18 119.4 . . ?
C19 C18 C17 121.2(9) . . ?
C17 C18 H18 119.4 . . ?
O6 C23 N5 125.9(7) . . ?
O6 C23 C24 115.7(6) . . ?
N5 C23 C24 118.4(7) . . ?
C7 C6 C8 121.8(7) . . ?
C5 C6 C7 120.7(8) . . ?
C5 C6 C8 117.5(8) . . ?
N3 C14 H14 119.2 . . ?
N3 C14 C13 121.7(9) . . ?
C13 C14 H14 119.2 . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
C28 C27 C26 119.0(9) . . ?
C43 C48 C47 104.7(6) . . ?
C53 C48 C43 121.6(6) . . ?
C53 C48 C47 133.6(6) . . ?
O8 C39 C34 127.3(6) . . ?
O8 C39 C40 112.6(6) . . ?
C34 C39 C40 120.0(6) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N3 C10 C11 123.8(7) . . ?
N3 C10 C9 114.1(6) . . ?
C11 C10 C9 122.0(7) . . ?
C39 C34 C33 134.8(6) . . ?
C39 C34 C29 120.7(6) . . ?
C29 C34 C33 104.4(6) . . ?
F9 C54 C55 108.5(6) . . ?
F9 C54 C53 111.4(6) . . ?
F8 C54 F9 103.8(6) . . ?
F8 C54 C55 108.2(7) . . ?
F8 C54 C53 110.0(6) . . ?
C55 C54 C53 114.4(7) . . ?
H45A C45 H45B 109.0 . . ?
C46 C45 H45A 111.0 . . ?
C46 C45 H45B 111.0 . . ?
C46 C45 C44 103.8(7) . . ?
C44 C45 H45A 111.0 . . ?
C44 C45 H45B 111.0 . . ?
O4 C16 C21 114.5(8) . . ?
O4 C16 C17 124.1(9) . . ?
C17 C16 C21 121.3(10) . . ?
N4 C22 H22 117.2 . . ?
N4 C22 C20 125.6(8) . . ?
C20 C22 H22 117.2 . . ?
C34 C33 H33 115.0 . . ?
C34 C33 C35 100.9(6) . . ?
C32 C33 C34 107.3(7) . . ?
C32 C33 H33 115.0 . . ?
C32 C33 C35 102.0(6) . . ?
C35 C33 H33 115.0 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.1(10) . . ?
C20 C19 H19 119.4 . . ?
F7 C42 C41 109.1(13) . . ?
F6 C42 F7 106.3(12) . . ?
F6 C42 C41 111.3(9) . . ?
F5 C42 F7 109.0(12) . . ?
F5 C42 F6 109.0(15) . . ?
F5 C42 C41 112.0(10) . . ?
C45 C46 H46A 111.1 . . ?
C45 C46 H46B 111.1 . . ?
C45 C46 C47 103.5(6) . . ?
H46A C46 H46B 109.0 . . ?
C47 C46 H46A 111.1 . . ?
C47 C46 H46B 111.1 . . ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
F3 C41 F4 106.9(10) . . ?
F3 C41 C42 106.6(8) . . ?
F3 C41 C40 109.5(7) . . ?
F4 C41 C42 107.3(9) . . ?
F4 C41 C40 108.5(7) . . ?
C42 C41 C40 117.6(10) . . ?
C19 C20 C22 117.8(9) . . ?
C21 C20 C22 121.9(7) . . ?
C21 C20 C19 120.2(8) . . ?
H31A C31 H31B 108.8 . . ?
C32 C31 H31A 110.7 . . ?
C32 C31 H31B 110.7 . . ?
C30 C31 H31A 110.7 . . ?
C30 C31 H31B 110.7 . . ?
C30 C31 C32 105.3(7) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C5 C4 C3 118.7(8) . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
C33 C32 C31 102.0(7) . . ?
C33 C32 H32A 111.4 . . ?
C33 C32 H32B 111.4 . . ?
C31 C32 H32A 111.4 . . ?
C31 C32 H32B 111.4 . . ?
H32A C32 H32B 109.2 . . ?
F14 C56 F12 105.8(12) . . ?
F14 C56 C55 112.8(8) . . ?
F13 C56 F14 107.3(9) . . ?
F13 C56 F12 108.2(10) . . ?
F13 C56 C55 112.2(10) . . ?
F12 C56 C55 110.2(9) . . ?
C45 C44 C49 103.0(7) . . ?
C43 C44 C45 103.8(7) . . ?
C43 C44 C49 98.8(6) . . ?
C50 C44 C45 116.2(8) . . ?
C50 C44 C49 118.1(7) . . ?
C50 C44 C43 114.4(7) . . ?
O1 C2 C7 112.4(8) . . ?
O1 C2 C3 126.3(8) . . ?
C3 C2 C7 121.2(9) . . ?
C52 C49 C44 113.3(7) . . ?
C52 C49 C47 113.5(7) . . ?
C51 C49 C52 108.1(7) . . ?
C51 C49 C44 113.7(7) . . ?
C51 C49 C47 114.5(7) . . ?
C47 C49 C44 93.4(6) . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C30 C36 H36A 109.5 . . ?
C30 C36 H36B 109.5 . . ?
C30 C36 H36C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O9 C43 C48 127.6(7) . . ?
O9 C43 C44 125.6(7) . . ?
C48 C43 C44 106.6(6) . . ?
C48 C47 C46 105.1(6) . . ?
C48 C47 C49 101.3(6) . . ?
C48 C47 H47 115.4 . . ?
C46 C47 C49 102.4(6) . . ?
C46 C47 H47 115.4 . . ?
C49 C47 H47 115.4 . . ?
O5 C21 C16 119.0(8) . . ?
O5 C21 C20 123.6(8) . . ?
C20 C21 C16 117.3(8) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 C27 118.8(9) . . ?
C25 C26 H26 120.6 . . ?
C38 C35 C33 114.2(6) . . ?
C38 C35 C30 112.6(7) . . ?
C37 C35 C38 107.7(7) . . ?
C37 C35 C33 113.8(7) . . ?
C37 C35 C30 114.5(6) . . ?
C30 C35 C33 93.8(6) . . ?
O2 C7 C6 124.0(7) . . ?
O2 C7 C2 120.0(8) . . ?
C6 C7 C2 116.1(8) . . ?
N1 C8 C6 125.0(8) . . ?
N1 C8 H8 117.5 . . ?
C6 C8 H8 117.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C18 C17 H17 120.6 . . ?
C16 C17 C18 118.7(9) . . ?
C16 C17 H17 120.6 . . ?
C14 C13 H13 120.5 . . ?
C12 C13 C14 118.9(9) . . ?
C12 C13 H13 120.5 . . ?
N6 C28 C27 122.5(9) . . ?
N6 C28 H28 118.7 . . ?
C27 C28 H28 118.7 . . ?
C13 C12 H12 120.1 . . ?
C13 C12 C11 119.8(10) . . ?
C11 C12 H12 120.1 . . ?
C10 C11 C12 117.7(9) . . ?
C10 C11 H11 121.1 . . ?
C12 C11 H11 121.1 . . ?
O10 C53 C48 126.0(6) . . ?
O10 C53 C54 113.9(6) . . ?
C48 C53 C54 120.1(6) . . ?
C4 C3 H3 118.9 . . ?
C2 C3 C4 122.1(9) . . ?
C2 C3 H3 118.9 . . ?
C26 C25 H25 120.5 . . ?
C26 C25 C24 119.0(9) . . ?
C24 C25 H25 120.5 . . ?
F1 C40 C39 111.0(7) . . ?
F1 C40 C41 107.3(7) . . ?
F2 C40 F1 106.6(7) . . ?
F2 C40 C39 111.2(6) . . ?
F2 C40 C41 106.3(7) . . ?
C39 C40 C41 114.0(7) . . ?
C31 C30 C35 101.1(6) . . ?
C31 C30 C29 103.5(7) . . ?
C36 C30 C31 115.0(8) . . ?
C36 C30 C35 120.1(8) . . ?
C36 C30 C29 114.1(6) . . ?
C29 C30 C35 100.5(6) . . ?
O3 C9 C10 116.1(6) . . ?
N2 C9 O3 125.1(6) . . ?
N2 C9 C10 118.8(6) . . ?
C44 C50 H50A 109.5 . . ?
C44 C50 H50B 109.5 . . ?
C44 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C6 C5 H5 119.4 . . ?
C4 C5 C6 121.1(9) . . ?
C4 C5 H5 119.4 . . ?
N6 C24 C23 115.6(7) . . ?
N6 C24 C25 121.3(7) . . ?
C25 C24 C23 123.1(8) . . ?
O7 C29 C34 128.1(6) . . ?
O7 C29 C30 125.4(7) . . ?
C34 C29 C30 106.6(6) . . ?
C57 N7 C58 116.4(9) . . ?
C57 N7 C59 121.5(9) . . ?
C59 N7 C58 122.0(10) . . ?
O11 C57 N7 126.0(9) . . ?
O11 C57 H57 117.0 . . ?
N7 C57 H57 117.0 . . ?
N7 C58 H58A 109.5 . . ?
N7 C58 H58B 109.5 . . ?
N7 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N7 C59 H59A 109.5 . . ?
N7 C59 H59B 109.5 . . ?
N7 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C62 N8 C61 117.4(9) . . ?
C60 N8 C62 122.8(8) . . ?
C60 N8 C61 119.5(9) . . ?
N8 C62 H62A 109.5 . . ?
N8 C62 H62B 109.5 . . ?
N8 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N8 C61 H61A 109.5 . . ?
N8 C61 H61B 109.5 . . ?
N8 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O12 C60 N8 125.1(9) . . ?
O12 C60 H60 117.4 . . ?
N8 C60 H60 117.4 . . ?

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
Dy1 O2 C7 C6 44.5(11) . . . . ?
Dy1 O2 C7 C2 -136.1(7) . . . . ?
Dy1 O6 C23 N5 177.5(6) . . . . ?
Dy1 O6 C23 C24 -3.5(9) . . . . ?
Dy1 O3 C9 N2 -16.9(10) . . . . ?
Dy1 O3 C9 C10 162.0(5) . . . . ?
Dy1 O7 C29 C34 -22.9(15) . . . . ?
Dy1 O7 C29 C30 156.1(7) . . . . ?
Dy1 O8 C39 C34 32.5(12) . . . . ?
Dy1 O8 C39 C40 -150.1(6) . . . . ?
Dy1 N6 C28 C27 179.8(7) . . . . ?
Dy1 N6 C24 C23 -1.1(9) . . . . ?
Dy1 N6 C24 C25 178.0(6) . . . . ?
Dy1 N1 C8 C6 -7.5(12) . . . . ?
Dy2 O10 C53 C48 -7.2(11) . . . . ?
Dy2 O10 C53 C54 172.1(5) . . . . ?
Dy2 O6 C23 N5 13.0(10) . . . . ?
Dy2 O6 C23 C24 -168.0(5) . . . . ?
Dy2 O9 C43 C48 22.0(15) . . . . ?
Dy2 O9 C43 C44 -163.5(6) . . . . ?
Dy2 O3 C9 N2 -172.2(6) . . . . ?
Dy2 O3 C9 C10 6.7(8) . . . . ?
Dy2 O5 C21 C16 136.7(7) . . . . ?
Dy2 O5 C21 C20 -44.3(11) . . . . ?
Dy2 N4 N5 C23 -10.5(8) . . . . ?
Dy2 N4 C22 C20 8.0(12) . . . . ?
Dy2 N3 C14 C13 -177.9(7) . . . . ?
Dy2 N3 C10 C11 177.5(7) . . . . ?
Dy2 N3 C10 C9 -0.7(8) . . . . ?
F9 C54 C53 O10 153.4(6) . . . . ?
F9 C54 C53 C48 -27.2(10) . . . . ?
F7 C42 C41 F3 60.6(13) . . . . ?
F7 C42 C41 F4 -53.7(12) . . . . ?
F7 C42 C41 C40 -176.2(9) . . . . ?
F11 C55 C54 F9 -170.3(8) . . . . ?
F11 C55 C54 F8 -58.4(10) . . . . ?
F11 C55 C54 C53 64.6(11) . . . . ?
F11 C55 C56 F14 -173.5(10) . . . . ?
F11 C55 C56 F13 -52.1(14) . . . . ?
F11 C55 C56 F12 68.6(13) . . . . ?
F10 C55 C54 F9 71.0(9) . . . . ?
F10 C55 C54 F8 -177.0(7) . . . . ?
F10 C55 C54 C53 -54.0(9) . . . . ?
F10 C55 C56 F14 -57.5(12) . . . . ?
F10 C55 C56 F13 63.8(12) . . . . ?
F10 C55 C56 F12 -175.5(11) . . . . ?
F6 C42 C41 F3 177.6(13) . . . . ?
F6 C42 C41 F4 63.3(16) . . . . ?
F6 C42 C41 C40 -59.2(15) . . . . ?
F3 C41 C40 F1 66.4(9) . . . . ?
F3 C41 C40 F2 -179.8(8) . . . . ?
F3 C41 C40 C39 -56.9(10) . . . . ?
F4 C41 C40 F1 -177.2(7) . . . . ?
F4 C41 C40 F2 -63.5(9) . . . . ?
F4 C41 C40 C39 59.4(9) . . . . ?
F8 C54 C53 O10 38.9(9) . . . . ?
F8 C54 C53 C48 -141.8(7) . . . . ?
F5 C42 C41 F3 -60.1(17) . . . . ?
F5 C42 C41 F4 -174.4(13) . . . . ?
F5 C42 C41 C40 63.1(15) . . . . ?
O6 C23 C24 N6 2.8(10) . . . . ?
O6 C23 C24 C25 -176.3(8) . . . . ?
O1 C2 C7 O2 2.1(12) . . . . ?
O1 C2 C7 C6 -178.4(7) . . . . ?
O1 C2 C3 C4 179.9(9) . . . . ?
O4 C16 C21 O5 -3.1(12) . . . . ?
O4 C16 C21 C20 177.9(8) . . . . ?
O4 C16 C17 C18 179.4(9) . . . . ?
O8 C39 C34 C33 176.5(8) . . . . ?
O8 C39 C34 C29 0.5(13) . . . . ?
O8 C39 C40 F1 146.5(7) . . . . ?
O8 C39 C40 F2 27.9(10) . . . . ?
O8 C39 C40 C41 -92.2(9) . . . . ?
N4 N5 C23 O6 -1.3(11) . . . . ?
N4 N5 C23 C24 179.7(7) . . . . ?
N4 C22 C20 C19 -169.3(8) . . . . ?
N4 C22 C20 C21 13.6(13) . . . . ?
N3 C14 C13 C12 1.9(16) . . . . ?
N3 C10 C11 C12 -0.8(14) . . . . ?
N3 C10 C9 O3 -3.5(10) . . . . ?
N3 C10 C9 N2 175.5(7) . . . . ?
N2 N1 C8 C6 -179.5(7) . . . . ?
N5 N4 C22 C20 -175.9(7) . . . . ?
N5 C23 C24 N6 -178.1(7) . . . . ?
N5 C23 C24 C25 2.8(12) . . . . ?
N1 N2 C9 O3 1.8(10) . . . . ?
N1 N2 C9 C10 -177.1(6) . . . . ?
C55 C54 C53 O10 -83.1(8) . . . . ?
C55 C54 C53 C48 96.3(9) . . . . ?
C38 C35 C30 C31 -171.8(7) . . . . ?
C38 C35 C30 C36 60.3(10) . . . . ?
C38 C35 C30 C29 -65.7(8) . . . . ?
C18 C19 C20 C22 179.8(9) . . . . ?
C18 C19 C20 C21 -3.0(14) . . . . ?
C14 N3 C10 C11 1.4(12) . . . . ?
C14 N3 C10 C9 -176.8(7) . . . . ?
C14 C13 C12 C11 -1.2(18) . . . . ?
C27 C26 C25 C24 -2.2(16) . . . . ?
C39 C34 C33 C32 113.1(10) . . . . ?
C39 C34 C33 C35 -140.6(9) . . . . ?
C39 C34 C29 O7 -5.2(15) . . . . ?
C39 C34 C29 C30 175.6(8) . . . . ?
C1 O1 C2 C7 172.8(10) . . . . ?
C1 O1 C2 C3 -5.3(15) . . . . ?
C10 N3 C14 C13 -1.9(13) . . . . ?
C34 C39 C40 F1 -35.9(11) . . . . ?
C34 C39 C40 F2 -154.5(8) . . . . ?
C34 C39 C40 C41 85.4(9) . . . . ?
C34 C33 C32 C31 68.0(8) . . . . ?
C34 C33 C35 C38 63.0(8) . . . . ?
C34 C33 C35 C37 -172.8(6) . . . . ?
C34 C33 C35 C30 -53.9(6) . . . . ?
C54 C55 C56 F14 63.0(13) . . . . ?
C54 C55 C56 F13 -175.7(10) . . . . ?
C54 C55 C56 F12 -55.0(13) . . . . ?
C45 C46 C47 C48 68.1(7) . . . . ?
C45 C46 C47 C49 -37.4(7) . . . . ?
C45 C44 C49 C52 65.0(9) . . . . ?
C45 C44 C49 C51 -171.1(7) . . . . ?
C45 C44 C49 C47 -52.4(7) . . . . ?
C45 C44 C43 O9 -106.4(11) . . . . ?
C45 C44 C43 C48 69.1(8) . . . . ?
C22 N4 N5 C23 173.0(7) . . . . ?
C22 C20 C21 O5 1.7(13) . . . . ?
C22 C20 C21 C16 -179.3(8) . . . . ?
C33 C34 C29 O7 177.7(10) . . . . ?
C33 C34 C29 C30 -1.4(9) . . . . ?
C33 C35 C30 C31 -53.7(7) . . . . ?
C33 C35 C30 C36 178.5(8) . . . . ?
C33 C35 C30 C29 52.5(7) . . . . ?
C19 C18 C17 C16 1.9(15) . . . . ?
C19 C20 C21 O5 -175.3(8) . . . . ?
C19 C20 C21 C16 3.7(12) . . . . ?
C42 C41 C40 F1 -55.3(10) . . . . ?
C42 C41 C40 F2 58.4(10) . . . . ?
C42 C41 C40 C39 -178.7(7) . . . . ?
C46 C45 C44 C49 31.7(8) . . . . ?
C46 C45 C44 C43 -71.0(8) . . . . ?
C46 C45 C44 C50 162.5(7) . . . . ?
C15 O4 C16 C21 -174.3(10) . . . . ?
C15 O4 C16 C17 5.2(15) . . . . ?
C31 C30 C29 O7 -108.3(11) . . . . ?
C31 C30 C29 C34 70.9(9) . . . . ?
C52 C49 C47 C48 -171.1(7) . . . . ?
C52 C49 C47 C46 -62.7(8) . . . . ?
C32 C33 C35 C38 173.4(6) . . . . ?
C32 C33 C35 C37 -62.3(8) . . . . ?
C32 C33 C35 C30 56.6(6) . . . . ?
C32 C31 C30 C36 164.0(7) . . . . ?
C32 C31 C30 C35 32.9(8) . . . . ?
C32 C31 C30 C29 -70.9(8) . . . . ?
C56 C55 C54 F9 -47.8(11) . . . . ?
C56 C55 C54 F8 64.1(10) . . . . ?
C56 C55 C54 C53 -172.9(8) . . . . ?
C44 C45 C46 C47 3.2(8) . . . . ?
C44 C49 C47 C48 -53.9(6) . . . . ?
C44 C49 C47 C46 54.5(6) . . . . ?
C49 C44 C43 O9 147.8(10) . . . . ?
C49 C44 C43 C48 -36.8(9) . . . . ?
C36 C30 C29 O7 17.4(15) . . . . ?
C36 C30 C29 C34 -163.4(9) . . . . ?
C51 C49 C47 C48 64.1(8) . . . . ?
C51 C49 C47 C46 172.5(7) . . . . ?
C43 C48 C47 C46 -72.8(8) . . . . ?
C43 C48 C47 C49 33.6(8) . . . . ?
C43 C48 C53 O10 -8.7(12) . . . . ?
C43 C48 C53 C54 172.0(8) . . . . ?
C43 C44 C49 C52 171.4(8) . . . . ?
C43 C44 C49 C51 -64.6(8) . . . . ?
C43 C44 C49 C47 54.0(7) . . . . ?
C47 C48 C43 O9 177.7(9) . . . . ?
C47 C48 C43 C44 2.3(9) . . . . ?
C47 C48 C53 O10 176.2(7) . . . . ?
C47 C48 C53 C54 -3.1(13) . . . . ?
C21 C16 C17 C18 -1.1(14) . . . . ?
C26 C27 C28 N6 1.0(15) . . . . ?
C26 C25 C24 N6 3.3(14) . . . . ?
C26 C25 C24 C23 -177.7(9) . . . . ?
C35 C33 C32 C31 -37.6(7) . . . . ?
C35 C30 C29 O7 147.4(10) . . . . ?
C35 C30 C29 C34 -33.4(9) . . . . ?
C7 C6 C8 N1 -15.1(13) . . . . ?
C7 C6 C5 C4 1.6(13) . . . . ?
C7 C2 C3 C4 1.9(15) . . . . ?
C8 C6 C7 O2 -0.8(13) . . . . ?
C8 C6 C7 C2 179.8(8) . . . . ?
C8 C6 C5 C4 -179.6(8) . . . . ?
C37 C35 C30 C31 64.6(9) . . . . ?
C37 C35 C30 C36 -63.2(10) . . . . ?
C37 C35 C30 C29 170.8(7) . . . . ?
C17 C18 C19 C20 0.2(15) . . . . ?
C17 C16 C21 O5 177.4(8) . . . . ?
C17 C16 C21 C20 -1.7(13) . . . . ?
C13 C12 C11 C10 0.7(18) . . . . ?
C28 N6 C24 C23 178.7(7) . . . . ?
C28 N6 C24 C25 -2.2(12) . . . . ?
C28 C27 C26 C25 0.1(16) . . . . ?
C11 C10 C9 O3 178.2(7) . . . . ?
C11 C10 C9 N2 -2.8(11) . . . . ?
C53 C48 C43 O9 1.4(14) . . . . ?
C53 C48 C43 C44 -174.0(7) . . . . ?
C53 C48 C47 C46 102.9(9) . . . . ?
C53 C48 C47 C49 -150.7(8) . . . . ?
C3 C4 C5 C6 0.1(14) . . . . ?
C3 C2 C7 O2 -179.7(9) . . . . ?
C3 C2 C7 C6 -0.2(13) . . . . ?
C40 C39 C34 C33 -0.8(14) . . . . ?
C40 C39 C34 C29 -176.7(8) . . . . ?
C30 C31 C32 C33 2.8(8) . . . . ?
C9 N2 N1 Dy1 13.4(7) . . . . ?
C9 N2 N1 C8 -173.7(7) . . . . ?
C9 C10 C11 C12 177.3(9) . . . . ?
C50 C44 C49 C52 -64.7(10) . . . . ?
C50 C44 C49 C51 59.3(9) . . . . ?
C50 C44 C49 C47 177.9(7) . . . . ?
C50 C44 C43 O9 21.3(14) . . . . ?
C50 C44 C43 C48 -163.2(8) . . . . ?
C5 C6 C7 O2 178.0(8) . . . . ?
C5 C6 C7 C2 -1.5(12) . . . . ?
C5 C6 C8 N1 166.1(8) . . . . ?
C5 C4 C3 C2 -1.9(15) . . . . ?
C24 N6 C28 C27 0.0(14) . . . . ?
C29 C34 C33 C32 -70.5(8) . . . . ?
C29 C34 C33 C35 35.8(8) . . . . ?
C58 N7 C57 O11 178.9(10) . . . . ?
C59 N7 C57 O11 -2.7(15) . . . . ?
C62 N8 C60 O12 -5.8(16) . . . . ?
C61 N8 C60 O12 -179.5(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.326
_oxdiff_exptl_absorpt_empirical_full_min 0.802
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_d2
_database_code_depnum_ccdc_archive 'CCDC 2308018'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-11-15 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2023-11-14
_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         'C52 H54 Dy2 F6 N6 O12, 2(C3 H7 N O)'
_chemical_formula_sum            'C58 H68 Dy2 F6 N8 O14'
_chemical_formula_weight         1540.20
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFClDy
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'
Dy Dy -0.1892 4.4098 '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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.9571(2)
_cell_length_b                   18.4949(3)
_cell_length_c                   14.1630(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.4050(10)
_cell_angle_gamma                90
_cell_volume                     3126.55(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    35057
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      30.9850
_cell_measurement_theta_min      1.6880
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.458
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.876
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49359
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.835
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.079
_diffrn_reflns_theta_min         1.706
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -77.00 -51.00   0.50    4.00    --    5.00  45.00   0.00   52
  2  ω     50.00  76.00   0.50    4.00    --  -11.50  45.00  60.00   52
  3  ω     -6.00  77.00   0.50    4.00    --  -11.50  45.00 -17.10  166
  4  ω    -99.00  73.00   0.50    4.00    --  -11.50  45.00 120.00  344
  5  ω     -8.00  41.00   0.50    4.00    --  -11.50  45.00  60.00   98
  6  ω   -100.00  74.00   0.50    4.00    --  -11.50  45.00 179.61  348
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0354975000
_diffrn_orient_matrix_UB_12      -0.0203437000
_diffrn_orient_matrix_UB_13      -0.0319363000
_diffrn_orient_matrix_UB_21      0.0308987000
_diffrn_orient_matrix_UB_22      -0.0317228000
_diffrn_orient_matrix_UB_23      0.0122077000
_diffrn_orient_matrix_UB_31      -0.0363107000
_diffrn_orient_matrix_UB_32      -0.0071634000
_diffrn_orient_matrix_UB_33      0.0366828000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.853
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.791
_reflns_number_gt                16048
_reflns_number_total             16769
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.726
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details 
;
 Flack x determined using 7100 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.004(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     806
_refine_ls_number_reflns         16769
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0209
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0237P)²+1.5567P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0496
_refine_ls_wR_factor_ref         0.0502
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Riding coordinates:
 O2W(H2WA,H2WB)
2.b Rotating group:
 O1W(H1WA,H1WB)
2.c Ternary CH refined with riding coordinates:
 C44(H44), C36(H36)
2.d Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B), C46(H46A,H46B), C45(H45A,H45B), C34(H34A,H34B)
2.e Aromatic/amide H refined with riding coordinates:
 C17(H17), C26(H26), C19(H19), C56(H56), C11(H11), C18(H18), C8(H8), C14(H14),
 C25(H25), C5(H5), C28(H28), C12(H12), C4(H4), C22(H22), C13(H13), C3(H3),
 C27(H27), C53(H53)
2.f Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C58(H58A,H58B,H58C), C15(H15A,H15B,H15C), C40(H40A,H40B,
 H40C), C50(H50A,H50B,H50C), C1(H1A,H1B,H1C), C57(H57A,H57B,H57C), C52(H52A,
 H52B,H52C), C39(H39A,H39B,H39C), C51(H51A,H51B,H51C), C54(H54A,H54B,H54C),
 C55(H55A,H55B,H55C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.60221(2) 0.54359(2) 0.84624(2) 0.01408(4) Uani 1 1 d . . . . .
Dy2 Dy 0.40453(2) 0.45815(2) 0.64767(2) 0.01453(5) Uani 1 1 d . . . . .
F6 F 0.0992(3) 0.6711(2) 0.6811(2) 0.0571(11) Uani 1 1 d . . . . .
F5 F 0.2480(3) 0.6718(2) 0.7696(2) 0.0461(9) Uani 1 1 d . . . . .
F4 F 0.2319(4) 0.73732(19) 0.6447(3) 0.0693(13) Uani 1 1 d . . . . .
F1 F 0.7523(3) 0.3270(2) 0.7297(2) 0.0525(10) Uani 1 1 d . . . . .
F3 F 0.7688(4) 0.26545(19) 0.8583(3) 0.0634(12) Uani 1 1 d . . . . .
F2 F 0.9050(3) 0.3269(2) 0.8132(2) 0.0471(9) Uani 1 1 d . . . . .
O7 O 0.6629(2) 0.42229(17) 0.83619(19) 0.0193(6) Uani 1 1 d . . . . .
O6 O 0.4266(2) 0.49171(15) 0.80897(18) 0.0156(6) Uani 1 1 d . . . . .
O4 O 0.2621(3) 0.2998(2) 0.4245(2) 0.0341(8) Uani 1 1 d . . . . .
O5 O 0.3139(3) 0.36500(19) 0.5858(2) 0.0234(7) Uani 1 1 d . . . . .
O12 O 0.4633(4) 0.2201(2) 0.7102(3) 0.0432(9) Uani 1 1 d . . . . .
O8 O 0.6858(2) 0.50836(17) 0.99822(19) 0.0233(6) Uani 1 1 d . . . . .
O10 O 0.3333(3) 0.50088(18) 0.4943(2) 0.0265(7) Uani 1 1 d . . . . .
O2 O 0.6929(2) 0.63892(19) 0.9018(2) 0.0221(7) Uani 1 1 d . . . . .
O9 O 0.3379(2) 0.57699(17) 0.66512(19) 0.0205(6) Uani 1 1 d . . . . .
O3 O 0.5809(2) 0.50777(16) 0.68587(18) 0.0166(6) Uani 1 1 d . . . . .
O1 O 0.7438(3) 0.7074(2) 1.0619(2) 0.0338(8) Uani 1 1 d . . . . .
O2W O 0.4983(3) 0.36080(18) 0.7247(2) 0.0269(7) Uani 1 1 d . . . . .
H2WA H 0.454404 0.324398 0.725796 0.040 Uiso 1 1 d R U . . .
H2WB H 0.512144 0.371358 0.783006 0.040 Uiso 1 1 d R U . . .
O1W O 0.5089(3) 0.63902(19) 0.7685(2) 0.0284(8) Uani 1 1 d . . . . .
H1WA H 0.498002 0.674201 0.808791 0.043 Uiso 1 1 d R U . . .
H1WB H 0.440751 0.625341 0.749381 0.043 Uiso 1 1 d R U . . .
N5 N 0.2357(3) 0.48092(19) 0.8253(2) 0.0203(7) Uani 1 1 d . . . . .
N3 N 0.5515(3) 0.4298(2) 0.5325(3) 0.0191(8) Uani 1 1 d . . . . .
N6 N 0.4551(3) 0.5684(2) 0.9629(3) 0.0181(8) Uani 1 1 d . . . . .
N8 N 0.4240(5) 0.1503(3) 0.5820(4) 0.0508(13) Uani 1 1 d . . . . .
N4 N 0.2375(3) 0.4447(2) 0.7379(2) 0.0196(8) Uani 1 1 d . . . . .
N1 N 0.7702(3) 0.5531(2) 0.7568(2) 0.0188(8) Uani 1 1 d . . . . .
N2 N 0.7728(3) 0.5154(2) 0.6706(2) 0.0198(7) Uani 1 1 d . . . . .
C37 C 0.8648(3) 0.3822(2) 1.1128(3) 0.0248(8) Uani 1 1 d . . . . .
C38 C 0.9542(4) 0.3618(3) 1.1908(3) 0.0367(11) Uani 1 1 d . . . . .
H38A H 0.971740 0.310188 1.186115 0.055 Uiso 1 1 calc R U . . .
H38B H 0.925561 0.371818 1.252908 0.055 Uiso 1 1 calc R U . . .
H38C H 1.022133 0.390262 1.183160 0.055 Uiso 1 1 calc R U . . .
C47 C 0.2088(3) 0.5604(2) 0.3745(2) 0.0261(8) Uani 1 1 d . . . . .
C17 C 0.0640(4) 0.3034(3) 0.4547(3) 0.0281(10) Uani 1 1 d . . . . .
H17 H 0.043673 0.279184 0.397116 0.034 Uiso 1 1 calc R U . . .
C26 C 0.2840(4) 0.6031(3) 1.0778(3) 0.0292(10) Uani 1 1 d . . . . .
H26 H 0.225413 0.615333 1.117345 0.035 Uiso 1 1 calc R U . . .
C58 C 0.4165(7) 0.0839(4) 0.6339(5) 0.067(2) Uani 1 1 d . . . . .
H58A H 0.340552 0.064258 0.624502 0.100 Uiso 1 1 calc R U . . .
H58B H 0.433463 0.093172 0.701347 0.100 Uiso 1 1 calc R U . . .
H58C H 0.470405 0.048979 0.611179 0.100 Uiso 1 1 calc R U . . .
C15 C 0.2337(5) 0.2680(4) 0.3350(4) 0.0485(16) Uani 1 1 d . . . . .
H15A H 0.180460 0.299325 0.299014 0.073 Uiso 1 1 calc R U . . .
H15B H 0.199493 0.220577 0.343962 0.073 Uiso 1 1 calc R U . . .
H15C H 0.301530 0.262344 0.300108 0.073 Uiso 1 1 calc R U . . .
C31 C 0.8082(3) 0.4117(2) 0.9552(3) 0.0186(8) Uani 1 1 d . . . . .
C19 C 0.0089(3) 0.3598(3) 0.5966(3) 0.0255(10) Uani 1 1 d . . . . .
H19 H -0.048440 0.373264 0.636777 0.031 Uiso 1 1 calc R U . . .
C21 C 0.2075(4) 0.3540(2) 0.5649(3) 0.0202(8) Uani 1 1 d . . . . .
C56 C 0.4463(5) 0.2128(3) 0.6256(4) 0.0414(13) Uani 1 1 d . . . . .
H56 H 0.449028 0.254882 0.587427 0.050 Uiso 1 1 calc R U . . .
C11 C 0.7434(3) 0.4358(2) 0.4963(3) 0.0220(9) Uani 1 1 d . . . . .
H11 H 0.817577 0.451648 0.512699 0.026 Uiso 1 1 calc R U . . .
C18 C -0.0184(4) 0.3242(3) 0.5141(4) 0.0298(10) Uani 1 1 d . . . . .
H18 H -0.094668 0.313494 0.497048 0.036 Uiso 1 1 calc R U . . .
C42 C 0.2580(3) 0.6119(2) 0.6226(3) 0.0185(8) Uani 1 1 d . . . . .
C35 C 1.0001(3) 0.4374(2) 1.0155(3) 0.0302(9) Uani 1 1 d . . . . .
H35A H 1.013021 0.456094 0.951505 0.036 Uiso 1 1 calc R U . . .
H35B H 1.071315 0.418130 1.044471 0.036 Uiso 1 1 calc R U . . .
C8 C 0.8652(4) 0.5818(3) 0.7835(3) 0.0206(9) Uani 1 1 d . . . . .
H8 H 0.926283 0.574410 0.744611 0.025 Uiso 1 1 calc R U . . .
C14 C 0.5301(4) 0.3912(2) 0.4540(3) 0.0229(9) Uani 1 1 d . . . . .
H14 H 0.455658 0.374905 0.439712 0.028 Uiso 1 1 calc R U . . .
C25 C 0.2613(3) 0.5620(2) 0.9969(3) 0.0232(9) Uani 1 1 d . . . . .
H25 H 0.187477 0.545525 0.980225 0.028 Uiso 1 1 calc R U . . .
C5 C 0.9982(4) 0.6408(3) 0.8953(3) 0.0257(9) Uani 1 1 d . . . . .
H5 H 1.055636 0.624682 0.856832 0.031 Uiso 1 1 calc R U . . .
C24 C 0.3491(3) 0.5457(3) 0.9411(2) 0.0186(7) Uani 1 1 d . . . . .
C6 C 0.8855(3) 0.6248(2) 0.8689(3) 0.0219(8) Uani 1 1 d . . . . .
C28 C 0.4755(4) 0.6076(3) 1.0416(3) 0.0239(9) Uani 1 1 d . . . . .
H28 H 0.550010 0.623266 1.057428 0.029 Uiso 1 1 calc R U . . .
C46 C 0.2622(4) 0.6337(3) 0.3452(3) 0.0333(9) Uani 1 1 d . . . . .
H46A H 0.344585 0.632651 0.357149 0.040 Uiso 1 1 calc R U . . .
H46B H 0.244483 0.643863 0.277301 0.040 Uiso 1 1 calc R U . . .
C12 C 0.7199(4) 0.3966(3) 0.4153(3) 0.0261(10) Uani 1 1 d . . . . .
H12 H 0.777897 0.385102 0.374803 0.031 Uiso 1 1 calc R U . . .
C16 C 0.1753(4) 0.3177(3) 0.4787(3) 0.0236(9) Uani 1 1 d . . . . .
C20 C 0.1222(3) 0.3768(2) 0.6229(3) 0.0197(8) Uani 1 1 d . . . . .
C33 C 0.8375(3) 0.4644(2) 1.1074(2) 0.0229(7) Uani 1 1 d . . . . .
C4 C 1.0260(4) 0.6796(3) 0.9762(3) 0.0271(10) Uani 1 1 d . . . . .
H4 H 1.102244 0.690727 0.992910 0.032 Uiso 1 1 calc R U . . .
C45 C 0.2092(4) 0.6910(2) 0.4075(3) 0.0299(9) Uani 1 1 d . . . . .
H45A H 0.163930 0.726152 0.368837 0.036 Uiso 1 1 calc R U . . .
H45B H 0.266960 0.717320 0.446951 0.036 Uiso 1 1 calc R U . . .
C40 C 0.7856(4) 0.5015(3) 1.1892(3) 0.0325(11) Uani 1 1 d . . . . .
H40A H 0.837727 0.499479 1.245172 0.049 Uiso 1 1 calc R U . . .
H40B H 0.715708 0.476884 1.202688 0.049 Uiso 1 1 calc R U . . .
H40C H 0.769656 0.552048 1.172735 0.049 Uiso 1 1 calc R U . . .
C9 C 0.6726(3) 0.4943(2) 0.6429(3) 0.0163(8) Uani 1 1 d . . . . .
C10 C 0.6567(3) 0.4517(3) 0.5539(2) 0.0171(7) Uani 1 1 d . . . . .
C22 C 0.1435(4) 0.4154(3) 0.7099(3) 0.0213(9) Uani 1 1 d . . . . .
H22 H 0.083257 0.419657 0.750371 0.026 Uiso 1 1 calc R U . . .
C50 C 0.0222(4) 0.5267(3) 0.4440(4) 0.0412(12) Uani 1 1 d . . . . .
H50A H 0.065294 0.507349 0.499360 0.062 Uiso 1 1 calc R U . . .
H50B H 0.006364 0.487831 0.398163 0.062 Uiso 1 1 calc R U . . .
H50C H -0.048522 0.546939 0.463749 0.062 Uiso 1 1 calc R U . . .
C41 C 0.2105(4) 0.6740(3) 0.6796(3) 0.0264(10) Uani 1 1 d . . . . .
C13 C 0.6113(4) 0.3738(3) 0.3929(3) 0.0248(9) Uani 1 1 d . . . . .
H13 H 0.593249 0.347036 0.336810 0.030 Uiso 1 1 calc R U . . .
C3 C 0.9424(4) 0.7026(3) 1.0335(3) 0.0283(10) Uani 1 1 d . . . . .
H3 H 0.961963 0.728490 1.090036 0.034 Uiso 1 1 calc R U . . .
C23 C 0.3353(3) 0.5031(2) 0.8524(3) 0.0165(8) Uani 1 1 d . . . . .
C29 C 0.7937(4) 0.3283(3) 0.8177(3) 0.0279(10) Uani 1 1 d . . . . .
C48 C 0.2617(3) 0.5474(3) 0.4735(2) 0.0211(7) Uani 1 1 d . . . . .
C1 C 0.7719(5) 0.7417(4) 1.1505(4) 0.0484(15) Uani 1 1 d . . . . .
H1A H 0.809321 0.787834 1.139527 0.073 Uiso 1 1 calc R U . . .
H1B H 0.822128 0.710343 1.189273 0.073 Uiso 1 1 calc R U . . .
H1C H 0.703402 0.750544 1.183493 0.073 Uiso 1 1 calc R U . . .
C57 C 0.4148(10) 0.1458(4) 0.4807(6) 0.098(4) Uani 1 1 d . . . . .
H57A H 0.469934 0.111122 0.459338 0.148 Uiso 1 1 calc R U . . .
H57B H 0.428946 0.193460 0.453642 0.148 Uiso 1 1 calc R U . . .
H57C H 0.339246 0.129675 0.459861 0.148 Uiso 1 1 calc R U . . .
C52 C 0.2211(5) 0.4979(3) 0.3070(3) 0.0420(13) Uani 1 1 d . . . . .
H52A H 0.191170 0.453774 0.334386 0.063 Uiso 1 1 calc R U . . .
H52B H 0.300552 0.490841 0.295973 0.063 Uiso 1 1 calc R U . . .
H52C H 0.179673 0.508459 0.246779 0.063 Uiso 1 1 calc R U . . .
C39 C 0.7620(4) 0.3349(3) 1.1252(3) 0.0330(10) Uani 1 1 d . . . . .
H39A H 0.703112 0.347534 1.076975 0.050 Uiso 1 1 calc R U . . .
H39B H 0.734617 0.342875 1.188216 0.050 Uiso 1 1 calc R U . . .
H39C H 0.782433 0.283930 1.118373 0.050 Uiso 1 1 calc R U . . .
C27 C 0.3921(4) 0.6262(3) 1.1007(3) 0.0287(10) Uani 1 1 d . . . . .
H27 H 0.408726 0.654235 1.155945 0.034 Uiso 1 1 calc R U . . .
C7 C 0.7988(4) 0.6494(2) 0.9241(3) 0.0199(8) Uani 1 1 d . . . . .
C30 C 0.7527(3) 0.3922(2) 0.8732(3) 0.0173(8) Uani 1 1 d . . . . .
C44 C 0.1344(3) 0.6440(2) 0.4691(3) 0.0230(8) Uani 1 1 d . . . . .
H44 H 0.075712 0.671048 0.502034 0.028 Uiso 1 1 calc R U . . .
C51 C 0.0198(4) 0.6176(3) 0.3148(3) 0.0421(12) Uani 1 1 d . . . . .
H51A H -0.047582 0.640415 0.337394 0.063 Uiso 1 1 calc R U . . .
H51B H -0.001899 0.578958 0.270081 0.063 Uiso 1 1 calc R U . . .
H51C H 0.064177 0.653881 0.283103 0.063 Uiso 1 1 calc R U . . .
C43 C 0.2154(3) 0.6013(2) 0.5330(3) 0.0202(8) Uani 1 1 d . . . . .
C2 C 0.8316(4) 0.6881(3) 1.0091(3) 0.0258(9) Uani 1 1 d . . . . .
C36 C 0.9075(3) 0.3795(2) 1.0117(3) 0.0229(7) Uani 1 1 d . . . . .
H36 H 0.931164 0.330574 0.990384 0.027 Uiso 1 1 calc R U . . .
C34 C 0.9514(4) 0.4966(3) 1.0780(3) 0.0296(9) Uani 1 1 d . . . . .
H34A H 0.939233 0.542110 1.041995 0.036 Uiso 1 1 calc R U . . .
H34B H 1.002171 0.506325 1.134282 0.036 Uiso 1 1 calc R U . . .
C32 C 0.7657(3) 0.4665(2) 1.0155(2) 0.0193(8) Uani 1 1 d . . . . .
C49 C 0.0896(3) 0.5859(2) 0.3986(3) 0.0284(8) Uani 1 1 d . . . . .
O11 O 0.5220(3) 0.78037(19) 0.7933(2) 0.0372(8) Uani 1 1 d . . . . .
N7 N 0.5523(4) 0.8497(2) 0.9234(3) 0.0372(10) Uani 1 1 d . . . . .
C54 C 0.5444(6) 0.9176(3) 0.8726(4) 0.0514(14) Uani 1 1 d . . . . .
H54A H 0.614397 0.944648 0.883847 0.077 Uiso 1 1 calc R U . . .
H54B H 0.481976 0.945939 0.894828 0.077 Uiso 1 1 calc R U . . .
H54C H 0.531623 0.908045 0.804752 0.077 Uiso 1 1 calc R U . . .
C55 C 0.5690(8) 0.8530(5) 1.0262(5) 0.072(3) Uani 1 1 d . . . . .
H55A H 0.640497 0.876796 1.043482 0.108 Uiso 1 1 calc R U . . .
H55B H 0.569938 0.803812 1.052121 0.108 Uiso 1 1 calc R U . . .
H55C H 0.507766 0.880440 1.052071 0.108 Uiso 1 1 calc R U . . .
C53 C 0.5413(5) 0.7874(3) 0.8782(4) 0.0342(11) Uani 1 1 d . . . . .
H53 H 0.549159 0.744511 0.914976 0.041 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.89920(17) . ?
Dy1 O7 2.365(3) . ?
Dy1 O6 2.341(3) . ?
Dy1 O8 2.409(3) . ?
Dy1 O2 2.191(3) . ?
Dy1 O3 2.365(3) . ?
Dy1 O1W 2.330(3) . ?
Dy1 N6 2.526(3) . ?
Dy1 N1 2.444(3) . ?
Dy2 O6 2.367(3) . ?
Dy2 O5 2.190(3) . ?
Dy2 O10 2.419(3) . ?
Dy2 O9 2.356(3) . ?
Dy2 O3 2.334(3) . ?
Dy2 O2W 2.355(3) . ?
Dy2 N3 2.523(3) . ?
Dy2 N4 2.447(3) . ?
F6 C41 1.333(6) . ?
F5 C41 1.326(5) . ?
F4 C41 1.303(6) . ?
F1 C29 1.313(6) . ?
F3 C29 1.338(6) . ?
F2 C29 1.336(6) . ?
O7 C30 1.292(5) . ?
O6 C23 1.301(4) . ?
O4 C15 1.420(6) . ?
O4 C16 1.368(5) . ?
O5 C21 1.304(5) . ?
O12 C56 1.211(7) . ?
O8 C32 1.242(5) . ?
O10 C48 1.237(5) . ?
O2 C7 1.301(5) . ?
O9 C42 1.274(5) . ?
O3 C9 1.310(4) . ?
O1 C1 1.429(6) . ?
O1 C2 1.372(5) . ?
O2W H2WA 0.8546 . ?
O2W H2WB 0.8546 . ?
O1W H1WA 0.8804 . ?
O1W H1WB 0.8805 . ?
N5 N4 1.410(4) . ?
N5 C23 1.296(5) . ?
N3 C14 1.333(6) . ?
N3 C10 1.339(5) . ?
N6 C24 1.352(5) . ?
N6 C28 1.342(6) . ?
N8 C58 1.437(8) . ?
N8 C56 1.329(7) . ?
N8 C57 1.435(9) . ?
N4 C22 1.289(6) . ?
N1 N2 1.409(5) . ?
N1 C8 1.291(5) . ?
N2 C9 1.297(5) . ?
C37 C38 1.538(6) . ?
C37 C33 1.556(6) . ?
C37 C39 1.527(6) . ?
C37 C36 1.549(5) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C47 C46 1.565(6) . ?
C47 C48 1.523(5) . ?
C47 C52 1.514(6) . ?
C47 C49 1.557(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.387(6) . ?
C17 C16 1.379(6) . ?
C26 H26 0.9500 . ?
C26 C25 1.389(6) . ?
C26 C27 1.380(7) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C31 C30 1.353(6) . ?
C31 C36 1.514(5) . ?
C31 C32 1.437(6) . ?
C19 H19 0.9500 . ?
C19 C18 1.364(7) . ?
C19 C20 1.420(6) . ?
C21 C16 1.427(6) . ?
C21 C20 1.410(5) . ?
C56 H56 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.372(6) . ?
C11 C10 1.388(5) . ?
C18 H18 0.9500 . ?
C42 C41 1.532(6) . ?
C42 C43 1.353(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.540(6) . ?
C35 C34 1.543(6) . ?
C8 H8 0.9500 . ?
C8 C6 1.456(6) . ?
C14 H14 0.9500 . ?
C14 C13 1.377(5) . ?
C25 H25 0.9500 . ?
C25 C24 1.384(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.408(6) . ?
C5 C4 1.376(6) . ?
C24 C23 1.484(6) . ?
C6 C7 1.411(6) . ?
C28 H28 0.9500 . ?
C28 C27 1.383(6) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C45 1.540(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.384(6) . ?
C20 C22 1.434(6) . ?
C33 C40 1.510(6) . ?
C33 C34 1.565(5) . ?
C33 C32 1.516(5) . ?
C4 H4 0.9500 . ?
C4 C3 1.391(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C44 1.552(5) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C9 C10 1.489(5) . ?
C22 H22 0.9500 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C50 C49 1.524(6) . ?
C13 H13 0.9500 . ?
C3 H3 0.9500 . ?
C3 C2 1.376(7) . ?
C29 C30 1.518(6) . ?
C48 C43 1.437(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C27 H27 0.9500 . ?
C7 C2 1.435(6) . ?
C44 H44 1.0000 . ?
C44 C43 1.509(5) . ?
C44 C49 1.540(5) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C51 C49 1.528(6) . ?
C36 H36 1.0000 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
O11 C53 1.218(6) . ?
N7 C54 1.446(7) . ?
N7 C55 1.460(8) . ?
N7 C53 1.321(7) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C53 H53 0.9500 . ?

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
O7 Dy1 Dy2 75.36(7) . . ?
O7 Dy1 O8 71.62(10) . . ?
O7 Dy1 O3 72.09(10) . . ?
O7 Dy1 N6 116.10(11) . . ?
O7 Dy1 N1 76.86(12) . . ?
O6 Dy1 Dy2 34.29(6) . . ?
O6 Dy1 O7 82.65(10) . . ?
O6 Dy1 O8 114.20(10) . . ?
O6 Dy1 O3 67.95(9) . . ?
O6 Dy1 N6 64.62(11) . . ?
O6 Dy1 N1 131.82(10) . . ?
O8 Dy1 Dy2 137.44(8) . . ?
O8 Dy1 N6 74.51(11) . . ?
O8 Dy1 N1 99.93(11) . . ?
O2 Dy1 Dy2 148.29(9) . . ?
O2 Dy1 O7 129.63(11) . . ?
O2 Dy1 O6 146.01(10) . . ?
O2 Dy1 O8 74.14(12) . . ?
O2 Dy1 O3 126.35(11) . . ?
O2 Dy1 O1W 76.87(13) . . ?
O2 Dy1 N6 88.19(11) . . ?
O2 Dy1 N1 73.94(11) . . ?
O3 Dy1 Dy2 33.66(6) . . ?
O3 Dy1 O8 142.92(10) . . ?
O3 Dy1 N6 129.75(11) . . ?
O3 Dy1 N1 64.37(10) . . ?
O1W Dy1 Dy2 73.34(9) . . ?
O1W Dy1 O7 146.14(11) . . ?
O1W Dy1 O6 78.81(11) . . ?
O1W Dy1 O8 142.11(11) . . ?
O1W Dy1 O3 74.75(11) . . ?
O1W Dy1 N6 80.73(12) . . ?
O1W Dy1 N1 94.90(12) . . ?
N6 Dy1 Dy2 97.43(9) . . ?
N1 Dy1 Dy2 97.87(8) . . ?
N1 Dy1 N6 162.13(12) . . ?
O6 Dy2 Dy1 33.86(6) . . ?
O6 Dy2 O10 142.60(10) . . ?
O6 Dy2 N3 129.55(11) . . ?
O6 Dy2 N4 64.55(10) . . ?
O5 Dy2 Dy1 150.64(9) . . ?
O5 Dy2 O6 128.04(11) . . ?
O5 Dy2 O10 76.01(12) . . ?
O5 Dy2 O9 127.82(12) . . ?
O5 Dy2 O3 145.18(10) . . ?
O5 Dy2 O2W 78.16(14) . . ?
O5 Dy2 N3 85.70(12) . . ?
O5 Dy2 N4 74.26(11) . . ?
O10 Dy2 Dy1 132.96(8) . . ?
O10 Dy2 N3 73.07(11) . . ?
O10 Dy2 N4 104.32(11) . . ?
O9 Dy2 Dy1 74.97(7) . . ?
O9 Dy2 O6 70.92(10) . . ?
O9 Dy2 O10 71.71(10) . . ?
O9 Dy2 N3 121.00(11) . . ?
O9 Dy2 N4 75.42(11) . . ?
O3 Dy2 Dy1 34.18(6) . . ?
O3 Dy2 O6 68.03(9) . . ?
O3 Dy2 O10 110.17(10) . . ?
O3 Dy2 O9 85.15(10) . . ?
O3 Dy2 O2W 78.13(11) . . ?
O3 Dy2 N3 64.99(11) . . ?
O3 Dy2 N4 132.33(10) . . ?
O2W Dy2 Dy1 73.97(8) . . ?
O2W Dy2 O6 74.37(10) . . ?
O2W Dy2 O10 143.01(11) . . ?
O2W Dy2 O9 145.03(11) . . ?
O2W Dy2 N3 79.03(12) . . ?
O2W Dy2 N4 93.52(12) . . ?
N3 Dy2 Dy1 97.76(9) . . ?
N4 Dy2 Dy1 98.24(8) . . ?
N4 Dy2 N3 159.72(13) . . ?
C30 O7 Dy1 129.4(3) . . ?
Dy1 O6 Dy2 111.85(9) . . ?
C23 O6 Dy1 126.4(2) . . ?
C23 O6 Dy2 116.8(2) . . ?
C16 O4 C15 116.9(4) . . ?
C21 O5 Dy2 131.7(3) . . ?
C32 O8 Dy1 128.2(2) . . ?
C48 O10 Dy2 130.0(2) . . ?
C7 O2 Dy1 131.4(3) . . ?
C42 O9 Dy2 132.2(3) . . ?
Dy2 O3 Dy1 112.15(10) . . ?
C9 O3 Dy1 117.0(2) . . ?
C9 O3 Dy2 126.0(2) . . ?
C2 O1 C1 116.5(4) . . ?
Dy2 O2W H2WA 109.5 . . ?
Dy2 O2W H2WB 109.4 . . ?
H2WA O2W H2WB 104.3 . . ?
Dy1 O1W H1WA 109.8 . . ?
Dy1 O1W H1WB 109.6 . . ?
H1WA O1W H1WB 104.0 . . ?
C23 N5 N4 110.4(3) . . ?
C14 N3 Dy2 123.0(3) . . ?
C14 N3 C10 118.8(3) . . ?
C10 N3 Dy2 118.2(3) . . ?
C24 N6 Dy1 118.3(3) . . ?
C28 N6 Dy1 122.9(3) . . ?
C28 N6 C24 118.6(3) . . ?
C56 N8 C58 121.5(5) . . ?
C56 N8 C57 121.1(6) . . ?
C57 N8 C58 117.3(5) . . ?
N5 N4 Dy2 117.8(2) . . ?
C22 N4 Dy2 127.3(3) . . ?
C22 N4 N5 114.3(3) . . ?
N2 N1 Dy1 118.3(2) . . ?
C8 N1 Dy1 127.9(3) . . ?
C8 N1 N2 113.2(3) . . ?
C9 N2 N1 110.1(3) . . ?
C38 C37 C33 114.3(3) . . ?
C38 C37 C36 113.8(3) . . ?
C39 C37 C38 107.8(3) . . ?
C39 C37 C33 113.4(3) . . ?
C39 C37 C36 113.5(3) . . ?
C36 C37 C33 93.8(3) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C48 C47 C46 103.1(3) . . ?
C48 C47 C49 100.5(3) . . ?
C52 C47 C46 115.9(4) . . ?
C52 C47 C48 114.2(4) . . ?
C52 C47 C49 119.6(4) . . ?
C49 C47 C46 100.9(3) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.5(4) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C27 C26 C25 119.8(4) . . ?
N8 C58 H58A 109.5 . . ?
N8 C58 H58B 109.5 . . ?
N8 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C30 C31 C36 132.7(4) . . ?
C30 C31 C32 121.7(4) . . ?
C32 C31 C36 105.0(3) . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.5(4) . . ?
C20 C19 H19 119.7 . . ?
O5 C21 C16 118.5(4) . . ?
O5 C21 C20 123.4(4) . . ?
C20 C21 C16 118.1(4) . . ?
O12 C56 N8 125.1(6) . . ?
O12 C56 H56 117.5 . . ?
N8 C56 H56 117.5 . . ?
C12 C11 H11 120.6 . . ?
C12 C11 C10 118.7(4) . . ?
C10 C11 H11 120.6 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.7(4) . . ?
C19 C18 H18 119.7 . . ?
O9 C42 C41 114.9(4) . . ?
O9 C42 C43 126.8(4) . . ?
C43 C42 C41 118.2(4) . . ?
H35A C35 H35B 109.2 . . ?
C36 C35 H35A 111.2 . . ?
C36 C35 H35B 111.2 . . ?
C36 C35 C34 102.6(3) . . ?
C34 C35 H35A 111.2 . . ?
C34 C35 H35B 111.2 . . ?
N1 C8 H8 117.7 . . ?
N1 C8 C6 124.6(4) . . ?
C6 C8 H8 117.7 . . ?
N3 C14 H14 118.6 . . ?
N3 C14 C13 122.8(4) . . ?
C13 C14 H14 118.6 . . ?
C26 C25 H25 120.9 . . ?
C24 C25 C26 118.1(4) . . ?
C24 C25 H25 120.9 . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.7(4) . . ?
N6 C24 C25 122.4(4) . . ?
N6 C24 C23 114.4(3) . . ?
C25 C24 C23 123.3(4) . . ?
C5 C6 C8 116.4(4) . . ?
C5 C6 C7 120.6(4) . . ?
C7 C6 C8 123.0(4) . . ?
N6 C28 H28 118.8 . . ?
N6 C28 C27 122.3(4) . . ?
C27 C28 H28 118.8 . . ?
C47 C46 H46A 110.8 . . ?
C47 C46 H46B 110.8 . . ?
H46A C46 H46B 108.9 . . ?
C45 C46 C47 104.8(3) . . ?
C45 C46 H46A 110.8 . . ?
C45 C46 H46B 110.8 . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.7(4) . . ?
C13 C12 H12 120.2 . . ?
O4 C16 C17 124.7(4) . . ?
O4 C16 C21 114.8(4) . . ?
C17 C16 C21 120.6(4) . . ?
C19 C20 C22 117.0(4) . . ?
C21 C20 C19 119.6(4) . . ?
C21 C20 C22 123.4(4) . . ?
C37 C33 C34 101.6(3) . . ?
C40 C33 C37 120.0(3) . . ?
C40 C33 C34 115.8(4) . . ?
C40 C33 C32 114.2(3) . . ?
C32 C33 C37 100.0(3) . . ?
C32 C33 C34 102.7(3) . . ?
C5 C4 H4 120.1 . . ?
C5 C4 C3 119.9(4) . . ?
C3 C4 H4 120.1 . . ?
C46 C45 H45A 111.4 . . ?
C46 C45 H45B 111.4 . . ?
C46 C45 C44 101.9(3) . . ?
H45A C45 H45B 109.2 . . ?
C44 C45 H45A 111.4 . . ?
C44 C45 H45B 111.4 . . ?
C33 C40 H40A 109.5 . . ?
C33 C40 H40B 109.5 . . ?
C33 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O3 C9 C10 115.2(3) . . ?
N2 C9 O3 125.9(3) . . ?
N2 C9 C10 119.0(3) . . ?
N3 C10 C11 121.8(4) . . ?
N3 C10 C9 115.0(3) . . ?
C11 C10 C9 123.2(4) . . ?
N4 C22 C20 125.5(4) . . ?
N4 C22 H22 117.3 . . ?
C20 C22 H22 117.3 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
F6 C41 C42 112.4(4) . . ?
F5 C41 F6 105.4(4) . . ?
F5 C41 C42 111.7(4) . . ?
F4 C41 F6 105.1(5) . . ?
F4 C41 F5 109.2(5) . . ?
F4 C41 C42 112.7(4) . . ?
C14 C13 C12 118.2(4) . . ?
C14 C13 H13 120.9 . . ?
C12 C13 H13 120.9 . . ?
C4 C3 H3 119.7 . . ?
C2 C3 C4 120.6(4) . . ?
C2 C3 H3 119.7 . . ?
O6 C23 C24 115.6(3) . . ?
N5 C23 O6 126.2(3) . . ?
N5 C23 C24 118.2(3) . . ?
F1 C29 F3 108.2(5) . . ?
F1 C29 F2 105.9(4) . . ?
F1 C29 C30 113.0(4) . . ?
F3 C29 C30 111.6(3) . . ?
F2 C29 F3 104.5(4) . . ?
F2 C29 C30 113.1(4) . . ?
O10 C48 C47 125.0(4) . . ?
O10 C48 C43 128.9(4) . . ?
C43 C48 C47 106.0(4) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N8 C57 H57A 109.5 . . ?
N8 C57 H57B 109.5 . . ?
N8 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C26 C27 C28 118.7(4) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
O2 C7 C6 123.7(4) . . ?
O2 C7 C2 119.5(4) . . ?
C6 C7 C2 116.9(4) . . ?
O7 C30 C31 125.9(4) . . ?
O7 C30 C29 114.3(4) . . ?
C31 C30 C29 119.8(4) . . ?
C45 C44 H44 115.2 . . ?
C43 C44 C45 105.1(3) . . ?
C43 C44 H44 115.2 . . ?
C43 C44 C49 102.1(3) . . ?
C49 C44 C45 102.5(3) . . ?
C49 C44 H44 115.2 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
C42 C43 C48 120.9(4) . . ?
C42 C43 C44 132.7(4) . . ?
C48 C43 C44 105.5(3) . . ?
O1 C2 C3 124.7(4) . . ?
O1 C2 C7 114.0(4) . . ?
C3 C2 C7 121.3(4) . . ?
C37 C36 H36 115.1 . . ?
C31 C36 C37 100.6(3) . . ?
C31 C36 C35 106.5(3) . . ?
C31 C36 H36 115.1 . . ?
C35 C36 C37 102.8(3) . . ?
C35 C36 H36 115.1 . . ?
C35 C34 C33 104.3(3) . . ?
C35 C34 H34A 110.9 . . ?
C35 C34 H34B 110.9 . . ?
C33 C34 H34A 110.9 . . ?
C33 C34 H34B 110.9 . . ?
H34A C34 H34B 108.9 . . ?
O8 C32 C31 128.1(4) . . ?
O8 C32 C33 125.0(4) . . ?
C31 C32 C33 106.8(3) . . ?
C50 C49 C47 112.9(4) . . ?
C50 C49 C44 113.6(4) . . ?
C50 C49 C51 109.0(4) . . ?
C44 C49 C47 93.8(3) . . ?
C51 C49 C47 114.2(4) . . ?
C51 C49 C44 112.8(4) . . ?
C54 N7 C55 117.5(5) . . ?
C53 N7 C54 121.0(4) . . ?
C53 N7 C55 121.5(5) . . ?
N7 C54 H54A 109.5 . . ?
N7 C54 H54B 109.5 . . ?
N7 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N7 C55 H55A 109.5 . . ?
N7 C55 H55B 109.5 . . ?
N7 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O11 C53 N7 125.3(5) . . ?
O11 C53 H53 117.3 . . ?
N7 C53 H53 117.3 . . ?

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
Dy1 O7 C30 C31 30.3(5) . . . . ?
Dy1 O7 C30 C29 -151.6(3) . . . . ?
Dy1 O6 C23 N5 171.6(3) . . . . ?
Dy1 O6 C23 C24 -8.4(5) . . . . ?
Dy1 O8 C32 C31 -20.7(6) . . . . ?
Dy1 O8 C32 C33 159.5(3) . . . . ?
Dy1 O2 C7 C6 42.6(6) . . . . ?
Dy1 O2 C7 C2 -137.5(4) . . . . ?
Dy1 O3 C9 N2 -18.3(5) . . . . ?
Dy1 O3 C9 C10 162.5(3) . . . . ?
Dy1 N6 C24 C25 -174.6(4) . . . . ?
Dy1 N6 C24 C23 4.7(5) . . . . ?
Dy1 N6 C28 C27 174.2(4) . . . . ?
Dy1 N1 N2 C9 14.6(4) . . . . ?
Dy1 N1 C8 C6 -10.0(7) . . . . ?
Dy2 O6 C23 N5 18.8(5) . . . . ?
Dy2 O6 C23 C24 -161.2(3) . . . . ?
Dy2 O5 C21 C16 139.3(3) . . . . ?
Dy2 O5 C21 C20 -40.2(6) . . . . ?
Dy2 O10 C48 C47 -168.5(3) . . . . ?
Dy2 O10 C48 C43 14.6(7) . . . . ?
Dy2 O9 C42 C41 155.1(3) . . . . ?
Dy2 O9 C42 C43 -27.4(6) . . . . ?
Dy2 O3 C9 N2 -171.6(3) . . . . ?
Dy2 O3 C9 C10 9.1(5) . . . . ?
Dy2 N3 C14 C13 -177.9(3) . . . . ?
Dy2 N3 C10 C11 177.3(3) . . . . ?
Dy2 N3 C10 C9 -3.0(5) . . . . ?
Dy2 N4 C22 C20 7.8(7) . . . . ?
F1 C29 C30 O7 18.7(6) . . . . ?
F1 C29 C30 C31 -162.9(4) . . . . ?
F3 C29 C30 O7 -103.4(5) . . . . ?
F3 C29 C30 C31 74.9(5) . . . . ?
F2 C29 C30 O7 139.1(4) . . . . ?
F2 C29 C30 C31 -42.6(6) . . . . ?
O5 C21 C16 O4 -2.0(6) . . . . ?
O5 C21 C16 C17 178.5(4) . . . . ?
O5 C21 C20 C19 -177.2(4) . . . . ?
O5 C21 C20 C22 1.1(7) . . . . ?
O10 C48 C43 C42 7.7(7) . . . . ?
O10 C48 C43 C44 178.5(4) . . . . ?
O2 C7 C2 O1 3.1(6) . . . . ?
O2 C7 C2 C3 -177.7(4) . . . . ?
O9 C42 C41 F6 -129.5(4) . . . . ?
O9 C42 C41 F5 -11.3(6) . . . . ?
O9 C42 C41 F4 112.0(5) . . . . ?
O9 C42 C43 C48 -1.9(7) . . . . ?
O9 C42 C43 C44 -169.7(4) . . . . ?
O3 C9 C10 N3 -3.3(6) . . . . ?
O3 C9 C10 C11 176.4(4) . . . . ?
N5 N4 C22 C20 178.6(4) . . . . ?
N3 C14 C13 C12 1.2(7) . . . . ?
N6 C24 C23 O6 1.7(6) . . . . ?
N6 C24 C23 N5 -178.3(4) . . . . ?
N6 C28 C27 C26 0.3(8) . . . . ?
N4 N5 C23 O6 -2.9(6) . . . . ?
N4 N5 C23 C24 177.1(4) . . . . ?
N1 N2 C9 O3 2.2(6) . . . . ?
N1 N2 C9 C10 -178.6(4) . . . . ?
N1 C8 C6 C5 169.0(5) . . . . ?
N1 C8 C6 C7 -10.5(7) . . . . ?
N2 N1 C8 C6 178.9(4) . . . . ?
N2 C9 C10 N3 177.4(4) . . . . ?
N2 C9 C10 C11 -2.9(7) . . . . ?
C37 C33 C34 C35 32.6(4) . . . . ?
C37 C33 C32 O8 146.9(4) . . . . ?
C37 C33 C32 C31 -33.0(4) . . . . ?
C38 C37 C33 C40 -64.1(5) . . . . ?
C38 C37 C33 C34 65.1(4) . . . . ?
C38 C37 C33 C32 170.3(3) . . . . ?
C38 C37 C36 C31 -172.4(4) . . . . ?
C38 C37 C36 C35 -62.7(4) . . . . ?
C47 C46 C45 C44 2.2(4) . . . . ?
C47 C48 C43 C42 -169.6(4) . . . . ?
C47 C48 C43 C44 1.2(4) . . . . ?
C26 C25 C24 N6 0.0(7) . . . . ?
C26 C25 C24 C23 -179.2(4) . . . . ?
C58 N8 C56 O12 0.9(10) . . . . ?
C15 O4 C16 C17 3.8(7) . . . . ?
C15 O4 C16 C21 -175.7(5) . . . . ?
C19 C20 C22 N4 -168.9(5) . . . . ?
C21 C20 C22 N4 12.7(8) . . . . ?
C11 C12 C13 C14 -0.6(7) . . . . ?
C18 C17 C16 O4 -179.5(5) . . . . ?
C18 C17 C16 C21 0.0(7) . . . . ?
C18 C19 C20 C21 -2.6(7) . . . . ?
C18 C19 C20 C22 179.0(5) . . . . ?
C8 N1 N2 C9 -173.4(4) . . . . ?
C8 C6 C7 O2 -3.2(7) . . . . ?
C8 C6 C7 C2 176.9(4) . . . . ?
C14 N3 C10 C11 0.4(7) . . . . ?
C14 N3 C10 C9 -179.9(4) . . . . ?
C25 C26 C27 C28 0.1(8) . . . . ?
C25 C24 C23 O6 -179.1(4) . . . . ?
C25 C24 C23 N5 0.9(7) . . . . ?
C5 C6 C7 O2 177.3(4) . . . . ?
C5 C6 C7 C2 -2.6(6) . . . . ?
C5 C4 C3 C2 -1.3(8) . . . . ?
C24 N6 C28 C27 -0.6(7) . . . . ?
C6 C5 C4 C3 0.9(7) . . . . ?
C6 C7 C2 O1 -176.9(4) . . . . ?
C6 C7 C2 C3 2.3(7) . . . . ?
C28 N6 C24 C25 0.4(7) . . . . ?
C28 N6 C24 C23 179.7(4) . . . . ?
C46 C47 C48 O10 -108.1(5) . . . . ?
C46 C47 C48 C43 69.3(4) . . . . ?
C46 C47 C49 C50 -171.5(4) . . . . ?
C46 C47 C49 C44 -54.0(3) . . . . ?
C46 C47 C49 C51 63.2(4) . . . . ?
C46 C45 C44 C43 68.8(4) . . . . ?
C46 C45 C44 C49 -37.6(4) . . . . ?
C12 C11 C10 N3 0.2(7) . . . . ?
C12 C11 C10 C9 -179.5(4) . . . . ?
C16 C17 C18 C19 0.8(8) . . . . ?
C16 C21 C20 C19 3.2(6) . . . . ?
C16 C21 C20 C22 -178.4(4) . . . . ?
C20 C19 C18 C17 0.6(8) . . . . ?
C20 C21 C16 O4 177.5(4) . . . . ?
C20 C21 C16 C17 -2.0(7) . . . . ?
C33 C37 C36 C31 -53.8(3) . . . . ?
C33 C37 C36 C35 56.0(3) . . . . ?
C4 C5 C6 C8 -178.4(4) . . . . ?
C4 C5 C6 C7 1.2(7) . . . . ?
C4 C3 C2 O1 178.8(5) . . . . ?
C4 C3 C2 C7 -0.3(8) . . . . ?
C45 C44 C43 C42 95.7(5) . . . . ?
C45 C44 C43 C48 -73.4(4) . . . . ?
C45 C44 C49 C47 56.8(3) . . . . ?
C45 C44 C49 C50 173.9(4) . . . . ?
C45 C44 C49 C51 -61.5(4) . . . . ?
C40 C33 C34 C35 164.4(4) . . . . ?
C40 C33 C32 O8 17.4(6) . . . . ?
C40 C33 C32 C31 -162.4(4) . . . . ?
C10 N3 C14 C13 -1.2(7) . . . . ?
C10 C11 C12 C13 -0.1(7) . . . . ?
C41 C42 C43 C48 175.5(4) . . . . ?
C41 C42 C43 C44 7.7(7) . . . . ?
C23 N5 N4 Dy2 -14.0(4) . . . . ?
C23 N5 N4 C22 174.2(4) . . . . ?
C48 C47 C46 C45 -70.5(4) . . . . ?
C48 C47 C49 C50 -65.8(4) . . . . ?
C48 C47 C49 C44 51.7(3) . . . . ?
C48 C47 C49 C51 168.9(4) . . . . ?
C1 O1 C2 C3 -3.2(7) . . . . ?
C1 O1 C2 C7 175.9(5) . . . . ?
C57 N8 C56 O12 -174.4(8) . . . . ?
C52 C47 C46 C45 163.9(4) . . . . ?
C52 C47 C48 O10 18.6(6) . . . . ?
C52 C47 C48 C43 -164.0(4) . . . . ?
C52 C47 C49 C50 60.0(5) . . . . ?
C52 C47 C49 C44 177.6(4) . . . . ?
C52 C47 C49 C51 -65.3(5) . . . . ?
C39 C37 C33 C40 60.1(5) . . . . ?
C39 C37 C33 C34 -170.8(3) . . . . ?
C39 C37 C33 C32 -65.5(4) . . . . ?
C39 C37 C36 C31 63.8(4) . . . . ?
C39 C37 C36 C35 173.6(3) . . . . ?
C27 C26 C25 C24 -0.3(7) . . . . ?
C30 C31 C36 C37 -134.5(4) . . . . ?
C30 C31 C36 C35 118.7(5) . . . . ?
C30 C31 C32 O8 -9.7(6) . . . . ?
C30 C31 C32 C33 170.1(4) . . . . ?
C43 C42 C41 F6 52.9(5) . . . . ?
C43 C42 C41 F5 171.0(4) . . . . ?
C43 C42 C41 F4 -65.7(6) . . . . ?
C43 C44 C49 C47 -51.8(3) . . . . ?
C43 C44 C49 C50 65.2(4) . . . . ?
C43 C44 C49 C51 -170.1(4) . . . . ?
C36 C37 C33 C40 177.7(4) . . . . ?
C36 C37 C33 C34 -53.1(3) . . . . ?
C36 C37 C33 C32 52.1(3) . . . . ?
C36 C31 C30 O7 174.5(4) . . . . ?
C36 C31 C30 C29 -3.6(7) . . . . ?
C36 C31 C32 O8 178.4(4) . . . . ?
C36 C31 C32 C33 -1.7(4) . . . . ?
C36 C35 C34 C33 2.5(4) . . . . ?
C34 C35 C36 C37 -37.2(4) . . . . ?
C34 C35 C36 C31 68.1(4) . . . . ?
C34 C33 C32 O8 -108.7(4) . . . . ?
C34 C33 C32 C31 71.4(4) . . . . ?
C32 C31 C30 O7 5.2(6) . . . . ?
C32 C31 C30 C29 -172.9(4) . . . . ?
C32 C31 C36 C37 36.1(4) . . . . ?
C32 C31 C36 C35 -70.8(4) . . . . ?
C32 C33 C34 C35 -70.6(4) . . . . ?
C49 C47 C46 C45 33.1(4) . . . . ?
C49 C47 C48 O10 148.0(4) . . . . ?
C49 C47 C48 C43 -34.6(4) . . . . ?
C49 C44 C43 C42 -157.6(4) . . . . ?
C49 C44 C43 C48 33.2(4) . . . . ?
C54 N7 C53 O11 -1.6(9) . . . . ?
C55 N7 C53 O11 176.4(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.366
_oxdiff_exptl_absorpt_empirical_full_min 0.700
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_l1
_database_code_depnum_ccdc_archive 'CCDC 2308017'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-11-15 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2023-11-14
_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         'C50 H52 Dy2 F6 N8 O12, 2(C3 H7 N O)'
_chemical_formula_sum            'C56 H66 Dy2 F6 N10 O14'
_chemical_formula_weight         1542.18
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFDy
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'
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'
Dy Dy -0.1892 4.4098 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.91880(16)
_cell_length_b                   18.5949(3)
_cell_length_c                   13.9673(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.9810(12)
_cell_angle_gamma                90
_cell_volume                     3091.37(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    38486
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      30.9950
_cell_measurement_theta_min      1.7100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.487
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.885
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            53508
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.844
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.948
_diffrn_reflns_theta_min         1.711
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.885
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -11.00  15.00   0.50    2.00    --    5.00  45.00 120.00   52
  2  ω    -38.00 -12.00   0.50    2.00    --    5.00  45.00 149.14   52
  3  ω    -84.00 -57.00   0.50    2.00    --    5.00  45.00 177.80   54
  4  ω   -100.00 -43.00   0.50    2.00    --  -11.50  45.00  83.37  114
  5  ω   -100.00  46.00   0.50    2.00    --  -11.50  45.00  30.00  292
  6  ω    -52.00  59.00   0.50    2.00    --  -11.50  45.00 -14.06  222
  7  ω   -100.00 -74.00   0.50    2.00    --  -11.50  45.00 120.00   52
  8  ω   -100.00  65.00   0.50    2.00    --  -11.50  45.00 150.00  330
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0048609000
_diffrn_orient_matrix_UB_12      -0.0316580000
_diffrn_orient_matrix_UB_13      0.0282974000
_diffrn_orient_matrix_UB_21      -0.0389947000
_diffrn_orient_matrix_UB_22      0.0142367000
_diffrn_orient_matrix_UB_23      0.0316376000
_diffrn_orient_matrix_UB_31      -0.0447971000
_diffrn_orient_matrix_UB_32      -0.0158545000
_diffrn_orient_matrix_UB_33      -0.0279655000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.855
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.801
_reflns_number_gt                15756
_reflns_number_total             16571
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.855
_refine_diff_density_min         -0.622
_refine_diff_density_rms         0.075
_refine_ls_abs_structure_details 
;
 Flack x determined using 6968 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     806
_refine_ls_number_reflns         16571
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0221
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0246P)²+1.3086P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0520
_refine_ls_wR_factor_ref         0.0528
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 Dy2-H2WA \\sim Dy2-H2WB
 with sigma of 0.02
 Dy1-H1WA \\sim Dy1-H1WB
 with sigma of 0.02
3.a Free rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
3.b Ternary CH refined with riding coordinates:
 C46(H46), C21(H21)
3.c Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B), C19(H19A,H19B), C20(H20A,H20B), C44(H44A,H44B)
3.d Aromatic/amide H refined with riding coordinates:
 C33(H33), C36(H36), C54(H54), C11(H11), C3(H3), C4(H4), C5(H5), C30(H30),
 C12(H12), C38(H38), C28(H28), C29(H29), C37(H37), C8(H8), C13(H13), C51(H51)
3.e Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C26(H26A,H26B,H26C), C49(H49A,H49B,H49C), C48(H48A,H48B,
 H48C), C1(H1A,H1B,H1C), C56(H56A,H56B,H56C), C55(H55A,H55B,H55C), C50(H50A,
 H50B,H50C), C25(H25A,H25B,H25C), C24(H24A,H24B,H24C), C52(H52A,H52B,H52C),
 C53(H53A,H53B,H53C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.60454(2) 0.45774(2) 0.34521(2) 0.01609(5) Uani 1 1 d D . . . .
Dy2 Dy 0.40134(2) 0.54292(2) 0.14845(2) 0.01644(5) Uani 1 1 d D . . . .
F1 F 0.9010(3) 0.6793(2) 0.3165(2) 0.0495(10) Uani 1 1 d . . . . .
F5 F 0.2385(5) 0.2639(2) 0.1422(3) 0.0752(14) Uani 1 1 d . . . . .
F3 F 0.7502(3) 0.6744(2) 0.2294(2) 0.0550(11) Uani 1 1 d . . . . .
F4 F 0.2499(3) 0.3275(2) 0.2697(2) 0.0488(10) Uani 1 1 d . . . . .
F2 F 0.7590(4) 0.7359(2) 0.3602(3) 0.0721(13) Uani 1 1 d . . . . .
F6 F 0.1014(3) 0.3268(3) 0.1801(3) 0.0597(11) Uani 1 1 d . . . . .
O10 O 0.3305(3) 0.5014(2) -0.0070(2) 0.0273(7) Uani 1 1 d . . . . .
O2 O 0.6967(3) 0.3627(2) 0.3994(2) 0.0230(7) Uani 1 1 d . . . . .
O7 O 0.6628(2) 0.57849(18) 0.3360(2) 0.0210(6) Uani 1 1 d . . . . .
O6 O 0.4263(2) 0.50870(17) 0.31143(19) 0.0173(6) Uani 1 1 d . . . . .
O5 O 0.3102(3) 0.6358(2) 0.0888(2) 0.0252(7) Uani 1 1 d . . . . .
O1 O 0.7491(3) 0.2950(2) 0.5609(2) 0.0343(8) Uani 1 1 d . . . . .
O4 O 0.2567(3) 0.7022(2) -0.0735(2) 0.0353(9) Uani 1 1 d . . . . .
O9 O 0.3378(2) 0.42442(18) 0.1650(2) 0.0225(6) Uani 1 1 d . . . . .
O3 O 0.5801(2) 0.49379(17) 0.18297(19) 0.0175(6) Uani 1 1 d . . . . .
O12 O 0.5274(3) 0.2219(2) 0.2900(3) 0.0374(9) Uani 1 1 d . . . . .
O8 O 0.6849(3) 0.49202(19) 0.4991(2) 0.0241(7) Uani 1 1 d . . . . .
O1W O 0.5079(3) 0.3628(2) 0.2698(3) 0.0281(8) Uani 1 1 d G . . . .
H1WA H 0.517883 0.316665 0.275576 0.042 Uiso 1 1 d DG U . . .
H1WB H 0.447387 0.367129 0.232696 0.042 Uiso 1 1 d DG U . . .
O2W O 0.4967(3) 0.6393(2) 0.2249(3) 0.0304(8) Uani 1 1 d G . . . .
H2WA H 0.479622 0.683577 0.226838 0.046 Uiso 1 1 d DG U . . .
H2WB H 0.547421 0.634031 0.269541 0.046 Uiso 1 1 d DG U . . .
N3 N 0.5474(3) 0.5732(2) 0.0294(3) 0.0200(8) Uani 1 1 d . . . . .
N4 N 0.7196(3) 0.6045(2) -0.0918(3) 0.0303(10) Uani 1 1 d . . . . .
N5 N 0.2354(3) 0.5550(2) 0.2421(3) 0.0212(9) Uani 1 1 d . . . . .
N10 N 0.5606(4) 0.1527(3) 0.4213(3) 0.0413(11) Uani 1 1 d . . . . .
N8 N 0.2861(3) 0.4006(2) 0.5881(3) 0.0310(10) Uani 1 1 d . . . . .
N2 N 0.7728(3) 0.4876(2) 0.1652(2) 0.0214(8) Uani 1 1 d . . . . .
N7 N 0.4566(3) 0.4311(2) 0.4656(3) 0.0219(8) Uani 1 1 d . . . . .
N6 N 0.2351(3) 0.5182(2) 0.3315(3) 0.0239(9) Uani 1 1 d . . . . .
N1 N 0.7724(3) 0.4498(3) 0.2521(2) 0.0202(8) Uani 1 1 d . . . . .
C6 C 0.8896(4) 0.3806(3) 0.3658(3) 0.0247(9) Uani 1 1 d . . . . .
C45 C 0.2094(4) 0.3132(3) -0.0987(3) 0.0318(9) Uani 1 1 d . . . . .
H45A H 0.268372 0.286690 -0.060714 0.038 Uiso 1 1 calc R U . . .
H45B H 0.163999 0.278661 -0.138343 0.038 Uiso 1 1 calc R U . . .
C23 C 0.9424(4) 0.6417(3) 0.6995(4) 0.0420(12) Uani 1 1 d . . . . .
H23A H 1.010329 0.612413 0.695628 0.063 Uiso 1 1 calc R U . . .
H23B H 0.909726 0.633886 0.761595 0.063 Uiso 1 1 calc R U . . .
H23C H 0.961709 0.692650 0.692874 0.063 Uiso 1 1 calc R U . . .
C16 C 0.8058(3) 0.5903(2) 0.4578(3) 0.0204(8) Uani 1 1 d . . . . .
C47 C 0.0867(3) 0.4159(2) -0.1026(3) 0.0281(9) Uani 1 1 d . . . . .
C33 C 0.1399(4) 0.5834(3) 0.2148(3) 0.0243(10) Uani 1 1 d . . . . .
H33 H 0.079646 0.578092 0.256200 0.029 Uiso 1 1 calc R U . . .
C36 C 0.2670(4) 0.4395(3) 0.5082(3) 0.0261(10) Uani 1 1 d . . . . .
H36 H 0.193428 0.457360 0.493390 0.031 Uiso 1 1 calc R U . . .
C34 C 0.3354(3) 0.4965(2) 0.3566(3) 0.0185(8) Uani 1 1 d . . . . .
C46 C 0.1351(3) 0.3576(2) -0.0336(3) 0.0235(8) Uani 1 1 d . . . . .
H46 H 0.077764 0.329260 0.000053 0.028 Uiso 1 1 calc R U . . .
C42 C 0.2596(3) 0.4546(3) -0.0288(3) 0.0221(8) Uani 1 1 d . . . . .
C54 C 0.5476(5) 0.2145(3) 0.3759(4) 0.0362(12) Uani 1 1 d . . . . .
H54 H 0.554586 0.257067 0.413371 0.043 Uiso 1 1 calc R U . . .
C26 C 0.2278(5) 0.7349(4) -0.1628(4) 0.0499(17) Uani 1 1 d . . . . .
H26A H 0.191610 0.781345 -0.152072 0.075 Uiso 1 1 calc R U . . .
H26B H 0.175797 0.703662 -0.200214 0.075 Uiso 1 1 calc R U . . .
H26C H 0.295805 0.742399 -0.197998 0.075 Uiso 1 1 calc R U . . .
C49 C 0.0164(4) 0.3846(3) -0.1873(3) 0.0393(11) Uani 1 1 d . . . . .
H49A H -0.049753 0.360349 -0.163675 0.059 Uiso 1 1 calc R U . . .
H49B H 0.061587 0.349977 -0.221461 0.059 Uiso 1 1 calc R U . . .
H49C H -0.007879 0.423503 -0.230993 0.059 Uiso 1 1 calc R U . . .
C11 C 0.7383(4) 0.5671(3) -0.0126(3) 0.0250(10) Uani 1 1 d . . . . .
H11 H 0.812441 0.550583 0.003244 0.030 Uiso 1 1 calc R U . . .
C32 C 0.2030(4) 0.6459(3) 0.0682(3) 0.0216(9) Uani 1 1 d . . . . .
C48 C 0.0179(4) 0.4725(3) -0.0532(4) 0.0394(12) Uani 1 1 d . . . . .
H48A H 0.061573 0.491466 0.002592 0.059 Uiso 1 1 calc R U . . .
H48B H -0.051538 0.450657 -0.032176 0.059 Uiso 1 1 calc R U . . .
H48C H -0.000698 0.511703 -0.098080 0.059 Uiso 1 1 calc R U . . .
C1 C 0.7786(5) 0.2611(4) 0.6513(4) 0.0517(17) Uani 1 1 d . . . . .
H1A H 0.827415 0.293128 0.690450 0.078 Uiso 1 1 calc R U . . .
H1B H 0.818210 0.215915 0.640046 0.078 Uiso 1 1 calc R U . . .
H1C H 0.710174 0.250999 0.684951 0.078 Uiso 1 1 calc R U . . .
C56 C 0.5519(6) 0.0850(3) 0.3690(5) 0.0573(16) Uani 1 1 d . . . . .
H56A H 0.625028 0.060778 0.372472 0.086 Uiso 1 1 calc R U . . .
H56B H 0.528967 0.094508 0.301800 0.086 Uiso 1 1 calc R U . . .
H56C H 0.495944 0.054192 0.397571 0.086 Uiso 1 1 calc R U . . .
C3 C 0.9487(4) 0.3039(3) 0.5322(4) 0.0302(11) Uani 1 1 d . . . . .
H3 H 0.968940 0.278084 0.589248 0.036 Uiso 1 1 calc R U . . .
C4 C 1.0318(4) 0.3288(3) 0.4753(4) 0.0310(11) Uani 1 1 d . . . . .
H4 H 1.108561 0.319575 0.492903 0.037 Uiso 1 1 calc R U . . .
C35 C 0.3519(3) 0.4544(3) 0.4459(3) 0.0197(8) Uani 1 1 d . . . . .
C18 C 0.8325(3) 0.5377(2) 0.6116(3) 0.0248(8) Uani 1 1 d . . . . .
C55 C 0.5784(9) 0.1489(4) 0.5247(5) 0.084(3) Uani 1 1 d . . . . .
H55A H 0.570376 0.197046 0.552216 0.126 Uiso 1 1 calc R U . . .
H55B H 0.654185 0.130694 0.540971 0.126 Uiso 1 1 calc R U . . .
H55C H 0.522850 0.116541 0.550840 0.126 Uiso 1 1 calc R U . . .
C5 C 1.0037(4) 0.3667(3) 0.3936(3) 0.0276(10) Uani 1 1 d . . . . .
H5 H 1.061210 0.383931 0.354943 0.033 Uiso 1 1 calc R U . . .
C15 C 0.7510(3) 0.6094(2) 0.3743(3) 0.0182(8) Uani 1 1 d . . . . .
C50 C 0.2147(5) 0.5064(4) -0.1958(4) 0.0430(14) Uani 1 1 d . . . . .
H50A H 0.174629 0.547901 -0.170923 0.064 Uiso 1 1 calc R U . . .
H50B H 0.181487 0.493453 -0.259159 0.064 Uiso 1 1 calc R U . . .
H50C H 0.294020 0.518770 -0.201294 0.064 Uiso 1 1 calc R U . . .
C10 C 0.6537(3) 0.5507(3) 0.0486(3) 0.0184(8) Uani 1 1 d . . . . .
C39 C 0.2140(5) 0.3261(3) 0.1785(3) 0.0305(11) Uani 1 1 d . . . . .
C14 C 0.7893(4) 0.6750(3) 0.3197(4) 0.0307(11) Uani 1 1 d . . . . .
C9 C 0.6709(3) 0.5077(2) 0.1384(3) 0.0187(8) Uani 1 1 d . . . . .
C30 C 0.0042(4) 0.6374(3) 0.1010(3) 0.0292(11) Uani 1 1 d . . . . .
H30 H -0.052916 0.622747 0.141743 0.035 Uiso 1 1 calc R U . . .
C41 C 0.2153(3) 0.3999(2) 0.0312(3) 0.0215(8) Uani 1 1 d . . . . .
C12 C 0.6139(4) 0.6269(3) -0.1102(3) 0.0290(10) Uani 1 1 d . . . . .
H12 H 0.597127 0.654153 -0.166692 0.035 Uiso 1 1 calc R U . . .
C38 C 0.4763(4) 0.3923(3) 0.5455(3) 0.0250(10) Uani 1 1 d . . . . .
H38 H 0.550077 0.375050 0.561103 0.030 Uiso 1 1 calc R U . . .
C2 C 0.8365(4) 0.3160(3) 0.5074(3) 0.0268(10) Uani 1 1 d . . . . .
C43 C 0.2052(3) 0.4434(2) -0.1281(3) 0.0263(9) Uani 1 1 d . . . . .
C25 C 0.7803(5) 0.5002(3) 0.6934(3) 0.0346(12) Uani 1 1 d . . . . .
H25A H 0.831087 0.503152 0.750757 0.052 Uiso 1 1 calc R U . . .
H25B H 0.767063 0.449582 0.676748 0.052 Uiso 1 1 calc R U . . .
H25C H 0.708725 0.523305 0.706149 0.052 Uiso 1 1 calc R U . . .
C28 C 0.0581(4) 0.6953(3) -0.0431(4) 0.0311(11) Uani 1 1 d . . . . .
H28 H 0.037283 0.719368 -0.101307 0.037 Uiso 1 1 calc R U . . .
C19 C 0.9490(4) 0.5082(3) 0.5837(3) 0.0309(10) Uani 1 1 d . . . . .
H19A H 0.998507 0.499206 0.641530 0.037 Uiso 1 1 calc R U . . .
H19B H 0.940018 0.462866 0.546883 0.037 Uiso 1 1 calc R U . . .
C7 C 0.8034(4) 0.3540(3) 0.4219(3) 0.0222(9) Uani 1 1 d . . . . .
C20 C 0.9976(3) 0.5679(3) 0.5216(3) 0.0313(9) Uani 1 1 d . . . . .
H20A H 1.013145 0.549839 0.456929 0.038 Uiso 1 1 calc R U . . .
H20B H 1.067606 0.587982 0.552151 0.038 Uiso 1 1 calc R U . . .
C31 C 0.1175(3) 0.6223(3) 0.1269(3) 0.0218(9) Uani 1 1 d . . . . .
C24 C 0.7514(4) 0.6654(3) 0.6290(4) 0.0375(11) Uani 1 1 d . . . . .
H24A H 0.769884 0.716365 0.621028 0.056 Uiso 1 1 calc R U . . .
H24B H 0.723224 0.657839 0.692956 0.056 Uiso 1 1 calc R U . . .
H24C H 0.693505 0.651350 0.580229 0.056 Uiso 1 1 calc R U . . .
C29 C -0.0244(4) 0.6731(3) 0.0176(4) 0.0321(12) Uani 1 1 d . . . . .
H29 H -0.101214 0.682819 0.000893 0.038 Uiso 1 1 calc R U . . .
C44 C 0.2605(4) 0.3716(3) -0.1609(3) 0.0344(10) Uani 1 1 d . . . . .
H44A H 0.242364 0.362493 -0.229831 0.041 Uiso 1 1 calc R U . . .
H44B H 0.343181 0.373391 -0.149799 0.041 Uiso 1 1 calc R U . . .
C40 C 0.2589(3) 0.3883(3) 0.1212(3) 0.0205(9) Uani 1 1 d . . . . .
C17 C 0.7633(3) 0.5350(3) 0.5180(3) 0.0206(8) Uani 1 1 d . . . . .
C37 C 0.3911(4) 0.3769(3) 0.6054(3) 0.0306(11) Uani 1 1 d . . . . .
H37 H 0.407528 0.348491 0.660896 0.037 Uiso 1 1 calc R U . . .
C22 C 0.8563(3) 0.6200(2) 0.6181(3) 0.0273(8) Uani 1 1 d . . . . .
C8 C 0.8679(4) 0.4223(3) 0.2794(3) 0.0226(9) Uani 1 1 d . . . . .
H8 H 0.928982 0.429891 0.239545 0.027 Uiso 1 1 calc R U . . .
C13 C 0.5282(4) 0.6118(3) -0.0505(3) 0.0246(10) Uani 1 1 d . . . . .
H13 H 0.454611 0.629110 -0.066317 0.029 Uiso 1 1 calc R U . . .
C27 C 0.1697(4) 0.6824(3) -0.0187(3) 0.0258(10) Uani 1 1 d . . . . .
C21 C 0.9027(3) 0.6243(2) 0.5168(3) 0.0263(9) Uani 1 1 d . . . . .
H21 H 0.925037 0.673455 0.495797 0.032 Uiso 1 1 calc R U . . .
O11 O 0.4612(4) 0.7798(2) 0.2130(3) 0.0425(9) Uani 1 1 d . . . . .
N9 N 0.4228(5) 0.8496(3) 0.0828(4) 0.0518(14) Uani 1 1 d . . . . .
C52 C 0.4128(7) 0.9146(4) 0.1349(5) 0.070(2) Uani 1 1 d . . . . .
H52A H 0.336099 0.933279 0.125287 0.105 Uiso 1 1 calc R U . . .
H52B H 0.466093 0.950073 0.112183 0.105 Uiso 1 1 calc R U . . .
H52C H 0.429184 0.905438 0.203322 0.105 Uiso 1 1 calc R U . . .
C53 C 0.4201(8) 0.8531(5) -0.0217(6) 0.082(3) Uiso 1 1 d . . . . .
H53A H 0.480842 0.884258 -0.041668 0.122 Uiso 1 1 calc R U . . .
H53B H 0.347640 0.872631 -0.045764 0.122 Uiso 1 1 calc R U . . .
H53C H 0.429870 0.804670 -0.047713 0.122 Uiso 1 1 calc R U . . .
C51 C 0.4464(5) 0.7872(3) 0.1268(4) 0.0422(14) Uani 1 1 d . . . . .
H51 H 0.452088 0.745570 0.087842 0.051 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.90313(19) . ?
Dy1 O2 2.195(3) . ?
Dy1 O7 2.356(3) . ?
Dy1 O6 2.352(3) . ?
Dy1 O3 2.367(3) . ?
Dy1 O8 2.393(3) . ?
Dy1 O1W 2.329(4) . ?
Dy1 N7 2.547(4) . ?
Dy1 N1 2.446(3) . ?
Dy2 O10 2.415(3) . ?
Dy2 O6 2.367(3) . ?
Dy2 O5 2.183(4) . ?
Dy2 O9 2.345(3) . ?
Dy2 O3 2.345(3) . ?
Dy2 O2W 2.350(4) . ?
Dy2 N3 2.533(3) . ?
Dy2 N5 2.437(3) . ?
F1 C14 1.337(6) . ?
F5 C39 1.302(7) . ?
F3 C14 1.322(6) . ?
F4 C39 1.323(6) . ?
F2 C14 1.323(7) . ?
F6 C39 1.343(6) . ?
O10 C42 1.239(6) . ?
O2 C7 1.304(5) . ?
O7 C15 1.289(5) . ?
O6 C34 1.302(4) . ?
O5 C32 1.309(5) . ?
O1 C1 1.439(6) . ?
O1 C2 1.370(5) . ?
O4 C26 1.415(6) . ?
O4 C27 1.370(5) . ?
O9 C40 1.284(5) . ?
O3 C9 1.302(4) . ?
O12 C54 1.219(6) . ?
O8 C17 1.247(5) . ?
O1W H1WA 0.8699 . ?
O1W H1WB 0.8700 . ?
O2W H2WA 0.8483 . ?
O2W H2WB 0.8510 . ?
N3 C10 1.347(6) . ?
N3 C13 1.336(6) . ?
N4 C11 1.316(6) . ?
N4 C12 1.339(6) . ?
N5 N6 1.424(5) . ?
N5 C33 1.295(6) . ?
N10 C54 1.318(7) . ?
N10 C56 1.457(8) . ?
N10 C55 1.451(8) . ?
N8 C36 1.339(6) . ?
N8 C37 1.336(6) . ?
N2 N1 1.403(5) . ?
N2 C9 1.306(5) . ?
N7 C35 1.336(6) . ?
N7 C38 1.340(6) . ?
N6 C34 1.292(5) . ?
N1 C8 1.288(6) . ?
C6 C5 1.417(6) . ?
C6 C7 1.412(6) . ?
C6 C8 1.446(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.542(6) . ?
C45 C44 1.536(7) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C22 1.545(6) . ?
C16 C15 1.354(6) . ?
C16 C17 1.438(6) . ?
C16 C21 1.521(6) . ?
C47 C46 1.542(6) . ?
C47 C49 1.528(6) . ?
C47 C48 1.522(6) . ?
C47 C43 1.560(6) . ?
C33 H33 0.9500 . ?
C33 C31 1.437(6) . ?
C36 H36 0.9500 . ?
C36 C35 1.397(5) . ?
C34 C35 1.477(6) . ?
C46 H46 1.0000 . ?
C46 C41 1.503(6) . ?
C42 C41 1.437(6) . ?
C42 C43 1.515(5) . ?
C54 H54 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C10 1.389(5) . ?
C32 C31 1.411(6) . ?
C32 C27 1.428(6) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.382(7) . ?
C3 C2 1.382(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.369(7) . ?
C18 C25 1.500(6) . ?
C18 C19 1.561(6) . ?
C18 C17 1.510(5) . ?
C18 C22 1.559(6) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C5 H5 0.9500 . ?
C15 C14 1.522(7) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C50 C43 1.514(7) . ?
C10 C9 1.494(6) . ?
C39 C40 1.520(7) . ?
C30 H30 0.9500 . ?
C30 C31 1.409(6) . ?
C30 C29 1.368(7) . ?
C41 C40 1.352(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(6) . ?
C38 H38 0.9500 . ?
C38 C37 1.380(6) . ?
C2 C7 1.427(6) . ?
C43 C44 1.569(6) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C28 H28 0.9500 . ?
C28 C29 1.393(7) . ?
C28 C27 1.377(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.540(6) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.542(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C24 C22 1.523(6) . ?
C29 H29 0.9500 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C37 H37 0.9500 . ?
C22 C21 1.548(6) . ?
C8 H8 0.9500 . ?
C13 H13 0.9500 . ?
C21 H21 1.0000 . ?
O11 C51 1.216(7) . ?
N9 C52 1.421(9) . ?
N9 C53 1.459(10) . ?
N9 C51 1.336(8) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C51 H51 0.9500 . ?

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
O2 Dy1 Dy2 148.27(9) . . ?
O2 Dy1 O7 129.98(11) . . ?
O2 Dy1 O6 145.54(11) . . ?
O2 Dy1 O3 126.33(11) . . ?
O2 Dy1 O8 74.65(12) . . ?
O2 Dy1 O1W 76.84(14) . . ?
O2 Dy1 N7 88.11(12) . . ?
O2 Dy1 N1 74.10(13) . . ?
O7 Dy1 Dy2 75.46(7) . . ?
O7 Dy1 O3 72.54(10) . . ?
O7 Dy1 O8 71.91(10) . . ?
O7 Dy1 N7 115.96(12) . . ?
O7 Dy1 N1 77.10(13) . . ?
O6 Dy1 Dy2 34.33(6) . . ?
O6 Dy1 O7 82.59(11) . . ?
O6 Dy1 O3 68.21(9) . . ?
O6 Dy1 O8 112.84(11) . . ?
O6 Dy1 N7 64.01(11) . . ?
O6 Dy1 N1 132.29(11) . . ?
O3 Dy1 Dy2 33.89(7) . . ?
O3 Dy1 O8 143.89(11) . . ?
O3 Dy1 N7 129.21(11) . . ?
O3 Dy1 N1 64.63(11) . . ?
O8 Dy1 Dy2 136.79(8) . . ?
O8 Dy1 N7 73.61(12) . . ?
O8 Dy1 N1 101.12(11) . . ?
O1W Dy1 Dy2 73.44(9) . . ?
O1W Dy1 O7 146.93(12) . . ?
O1W Dy1 O6 78.13(12) . . ?
O1W Dy1 O3 75.42(11) . . ?
O1W Dy1 O8 140.65(12) . . ?
O1W Dy1 N7 78.93(13) . . ?
O1W Dy1 N1 96.49(13) . . ?
N7 Dy1 Dy2 96.79(9) . . ?
N1 Dy1 Dy2 98.33(9) . . ?
N1 Dy1 N7 162.22(14) . . ?
O10 Dy2 Dy1 132.70(9) . . ?
O10 Dy2 N3 72.62(11) . . ?
O10 Dy2 N5 104.85(12) . . ?
O6 Dy2 Dy1 34.07(6) . . ?
O6 Dy2 O10 143.02(12) . . ?
O6 Dy2 N3 129.41(11) . . ?
O6 Dy2 N5 64.74(11) . . ?
O5 Dy2 Dy1 150.25(10) . . ?
O5 Dy2 O10 76.48(13) . . ?
O5 Dy2 O6 127.94(12) . . ?
O5 Dy2 O9 128.62(12) . . ?
O5 Dy2 O3 144.65(11) . . ?
O5 Dy2 O2W 77.83(15) . . ?
O5 Dy2 N3 85.35(12) . . ?
O5 Dy2 N5 74.37(12) . . ?
O9 Dy2 Dy1 75.00(7) . . ?
O9 Dy2 O10 71.83(11) . . ?
O9 Dy2 O6 71.20(10) . . ?
O9 Dy2 O2W 145.40(12) . . ?
O9 Dy2 N3 120.67(12) . . ?
O9 Dy2 N5 76.01(13) . . ?
O3 Dy2 Dy1 34.24(6) . . ?
O3 Dy2 O10 109.37(11) . . ?
O3 Dy2 O6 68.30(9) . . ?
O3 Dy2 O9 84.74(11) . . ?
O3 Dy2 O2W 77.93(12) . . ?
O3 Dy2 N3 64.75(11) . . ?
O3 Dy2 N5 132.78(11) . . ?
O2W Dy2 Dy1 73.85(9) . . ?
O2W Dy2 O10 142.29(12) . . ?
O2W Dy2 O6 74.59(12) . . ?
O2W Dy2 N3 78.23(13) . . ?
O2W Dy2 N5 94.16(14) . . ?
N3 Dy2 Dy1 97.47(9) . . ?
N5 Dy2 Dy1 98.64(9) . . ?
N5 Dy2 N3 159.48(13) . . ?
C42 O10 Dy2 130.4(3) . . ?
C7 O2 Dy1 130.3(3) . . ?
C15 O7 Dy1 129.7(3) . . ?
Dy1 O6 Dy2 111.61(10) . . ?
C34 O6 Dy1 126.8(3) . . ?
C34 O6 Dy2 116.5(2) . . ?
C32 O5 Dy2 131.2(3) . . ?
C2 O1 C1 116.5(4) . . ?
C27 O4 C26 116.8(4) . . ?
C40 O9 Dy2 132.6(3) . . ?
Dy2 O3 Dy1 111.86(10) . . ?
C9 O3 Dy1 116.7(2) . . ?
C9 O3 Dy2 126.4(3) . . ?
C17 O8 Dy1 128.4(3) . . ?
Dy1 O1W H1WA 130.1 . . ?
Dy1 O1W H1WB 125.1 . . ?
H1WA O1W H1WB 104.5 . . ?
Dy2 O2W H2WA 130.0 . . ?
Dy2 O2W H2WB 123.6 . . ?
H2WA O2W H2WB 104.6 . . ?
C10 N3 Dy2 118.1(3) . . ?
C13 N3 Dy2 125.0(3) . . ?
C13 N3 C10 116.8(4) . . ?
C11 N4 C12 116.3(4) . . ?
N6 N5 Dy2 117.8(3) . . ?
C33 N5 Dy2 127.2(3) . . ?
C33 N5 N6 114.3(3) . . ?
C54 N10 C56 120.6(5) . . ?
C54 N10 C55 122.0(6) . . ?
C55 N10 C56 117.4(5) . . ?
C37 N8 C36 116.5(4) . . ?
C9 N2 N1 110.2(3) . . ?
C35 N7 Dy1 118.2(3) . . ?
C35 N7 C38 117.9(4) . . ?
C38 N7 Dy1 123.9(3) . . ?
C34 N6 N5 110.1(3) . . ?
N2 N1 Dy1 118.0(2) . . ?
C8 N1 Dy1 127.0(3) . . ?
C8 N1 N2 114.4(3) . . ?
C5 C6 C8 116.9(4) . . ?
C7 C6 C5 120.0(4) . . ?
C7 C6 C8 123.1(4) . . ?
H45A C45 H45B 109.2 . . ?
C46 C45 H45A 111.3 . . ?
C46 C45 H45B 111.3 . . ?
C44 C45 H45A 111.3 . . ?
C44 C45 H45B 111.3 . . ?
C44 C45 C46 102.2(4) . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
C15 C16 C17 121.5(4) . . ?
C15 C16 C21 132.5(4) . . ?
C17 C16 C21 105.2(4) . . ?
C46 C47 C43 93.4(3) . . ?
C49 C47 C46 112.9(4) . . ?
C49 C47 C43 114.5(4) . . ?
C48 C47 C46 113.2(4) . . ?
C48 C47 C49 109.1(4) . . ?
C48 C47 C43 113.1(4) . . ?
N5 C33 H33 117.3 . . ?
N5 C33 C31 125.3(4) . . ?
C31 C33 H33 117.3 . . ?
N8 C36 H36 119.0 . . ?
N8 C36 C35 121.9(4) . . ?
C35 C36 H36 119.0 . . ?
O6 C34 C35 115.1(3) . . ?
N6 C34 O6 126.5(4) . . ?
N6 C34 C35 118.4(3) . . ?
C45 C46 C47 102.4(3) . . ?
C45 C46 H46 114.9 . . ?
C47 C46 H46 114.9 . . ?
C41 C46 C45 105.6(3) . . ?
C41 C46 C47 102.4(3) . . ?
C41 C46 H46 114.9 . . ?
O10 C42 C41 128.3(4) . . ?
O10 C42 C43 125.1(4) . . ?
C41 C42 C43 106.5(4) . . ?
O12 C54 N10 125.8(6) . . ?
O12 C54 H54 117.1 . . ?
N10 C54 H54 117.1 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N4 C11 H11 118.8 . . ?
N4 C11 C10 122.4(4) . . ?
C10 C11 H11 118.8 . . ?
O5 C32 C31 123.6(4) . . ?
O5 C32 C27 118.7(4) . . ?
C31 C32 C27 117.7(4) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N10 C56 H56A 109.5 . . ?
N10 C56 H56B 109.5 . . ?
N10 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 121.0(5) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0(4) . . ?
C5 C4 H4 120.0 . . ?
N7 C35 C36 120.5(4) . . ?
N7 C35 C34 115.3(3) . . ?
C36 C35 C34 124.2(4) . . ?
C25 C18 C19 115.9(4) . . ?
C25 C18 C17 114.5(4) . . ?
C25 C18 C22 119.6(4) . . ?
C17 C18 C19 103.0(3) . . ?
C17 C18 C22 99.9(3) . . ?
C22 C18 C19 101.4(3) . . ?
N10 C55 H55A 109.5 . . ?
N10 C55 H55B 109.5 . . ?
N10 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C6 C5 H5 119.6 . . ?
C4 C5 C6 120.8(4) . . ?
C4 C5 H5 119.6 . . ?
O7 C15 C16 125.9(4) . . ?
O7 C15 C14 114.1(4) . . ?
C16 C15 C14 119.9(4) . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C43 C50 H50A 109.5 . . ?
C43 C50 H50B 109.5 . . ?
C43 C50 H50C 109.5 . . ?
N3 C10 C11 121.0(4) . . ?
N3 C10 C9 114.9(3) . . ?
C11 C10 C9 124.2(4) . . ?
F5 C39 F4 108.9(5) . . ?
F5 C39 F6 105.1(5) . . ?
F5 C39 C40 112.2(4) . . ?
F4 C39 F6 104.9(4) . . ?
F4 C39 C40 112.8(4) . . ?
F6 C39 C40 112.4(4) . . ?
F1 C14 C15 112.9(4) . . ?
F3 C14 F1 105.7(4) . . ?
F3 C14 F2 109.0(5) . . ?
F3 C14 C15 111.8(4) . . ?
F2 C14 F1 104.9(5) . . ?
F2 C14 C15 112.0(4) . . ?
O3 C9 N2 126.2(4) . . ?
O3 C9 C10 115.2(3) . . ?
N2 C9 C10 118.6(3) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C29 C30 C31 120.6(4) . . ?
C42 C41 C46 105.1(4) . . ?
C40 C41 C46 132.7(4) . . ?
C40 C41 C42 121.3(4) . . ?
N4 C12 H12 118.7 . . ?
N4 C12 C13 122.6(4) . . ?
C13 C12 H12 118.7 . . ?
N7 C38 H38 119.5 . . ?
N7 C38 C37 120.9(4) . . ?
C37 C38 H38 119.5 . . ?
O1 C2 C3 124.8(4) . . ?
O1 C2 C7 114.4(4) . . ?
C3 C2 C7 120.8(4) . . ?
C47 C43 C44 100.7(3) . . ?
C42 C43 C47 100.7(3) . . ?
C42 C43 C44 102.6(3) . . ?
C50 C43 C47 119.6(4) . . ?
C50 C43 C42 115.1(4) . . ?
C50 C43 C44 115.5(4) . . ?
C18 C25 H25A 109.5 . . ?
C18 C25 H25B 109.5 . . ?
C18 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.1(5) . . ?
C18 C19 H19A 110.8 . . ?
C18 C19 H19B 110.8 . . ?
H19A C19 H19B 108.9 . . ?
C20 C19 C18 104.7(4) . . ?
C20 C19 H19A 110.8 . . ?
C20 C19 H19B 110.8 . . ?
O2 C7 C6 123.5(4) . . ?
O2 C7 C2 119.1(4) . . ?
C6 C7 C2 117.4(4) . . ?
C19 C20 H20A 111.2 . . ?
C19 C20 H20B 111.2 . . ?
C19 C20 C21 102.6(3) . . ?
H20A C20 H20B 109.2 . . ?
C21 C20 H20A 111.2 . . ?
C21 C20 H20B 111.2 . . ?
C32 C31 C33 123.1(4) . . ?
C30 C31 C33 117.0(4) . . ?
C30 C31 C32 119.9(4) . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
C30 C29 C28 120.6(4) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C45 C44 C43 104.6(3) . . ?
C45 C44 H44A 110.8 . . ?
C45 C44 H44B 110.8 . . ?
C43 C44 H44A 110.8 . . ?
C43 C44 H44B 110.8 . . ?
H44A C44 H44B 108.9 . . ?
O9 C40 C39 114.6(4) . . ?
O9 C40 C41 126.6(4) . . ?
C41 C40 C39 118.8(4) . . ?
O8 C17 C16 128.1(4) . . ?
O8 C17 C18 125.1(4) . . ?
C16 C17 C18 106.8(4) . . ?
N8 C37 C38 122.3(4) . . ?
N8 C37 H37 118.9 . . ?
C38 C37 H37 118.9 . . ?
C23 C22 C18 114.3(4) . . ?
C23 C22 C21 113.8(4) . . ?
C24 C22 C23 107.4(4) . . ?
C24 C22 C18 113.7(4) . . ?
C24 C22 C21 113.4(4) . . ?
C21 C22 C18 94.0(3) . . ?
N1 C8 C6 125.3(4) . . ?
N1 C8 H8 117.4 . . ?
C6 C8 H8 117.4 . . ?
N3 C13 C12 120.9(4) . . ?
N3 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
O4 C27 C32 114.7(4) . . ?
O4 C27 C28 124.4(4) . . ?
C28 C27 C32 121.0(4) . . ?
C16 C21 C20 106.0(4) . . ?
C16 C21 C22 100.2(3) . . ?
C16 C21 H21 115.3 . . ?
C20 C21 C22 102.8(3) . . ?
C20 C21 H21 115.3 . . ?
C22 C21 H21 115.3 . . ?
C52 N9 C53 118.5(6) . . ?
C51 N9 C52 121.7(5) . . ?
C51 N9 C53 119.5(6) . . ?
N9 C52 H52A 109.5 . . ?
N9 C52 H52B 109.5 . . ?
N9 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N9 C53 H53A 109.5 . . ?
N9 C53 H53B 109.5 . . ?
N9 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O11 C51 N9 124.8(6) . . ?
O11 C51 H51 117.6 . . ?
N9 C51 H51 117.6 . . ?

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
Dy1 O2 C7 C6 -43.2(6) . . . . ?
Dy1 O2 C7 C2 136.7(4) . . . . ?
Dy1 O7 C15 C16 -29.7(6) . . . . ?
Dy1 O7 C15 C14 153.3(3) . . . . ?
Dy1 O6 C34 N6 -171.7(3) . . . . ?
Dy1 O6 C34 C35 9.3(5) . . . . ?
Dy1 O3 C9 N2 17.7(6) . . . . ?
Dy1 O3 C9 C10 -162.2(3) . . . . ?
Dy1 O8 C17 C16 19.4(6) . . . . ?
Dy1 O8 C17 C18 -160.5(3) . . . . ?
Dy1 N7 C35 C36 178.2(4) . . . . ?
Dy1 N7 C35 C34 -2.5(6) . . . . ?
Dy1 N7 C38 C37 -176.9(4) . . . . ?
Dy1 N1 C8 C6 9.9(7) . . . . ?
Dy2 O10 C42 C41 -15.1(7) . . . . ?
Dy2 O10 C42 C43 167.1(3) . . . . ?
Dy2 O6 C34 N6 -19.2(6) . . . . ?
Dy2 O6 C34 C35 161.8(3) . . . . ?
Dy2 O5 C32 C31 41.0(7) . . . . ?
Dy2 O5 C32 C27 -138.5(4) . . . . ?
Dy2 O9 C40 C39 -155.6(3) . . . . ?
Dy2 O9 C40 C41 25.5(6) . . . . ?
Dy2 O3 C9 N2 170.5(3) . . . . ?
Dy2 O3 C9 C10 -9.4(5) . . . . ?
Dy2 N3 C10 C11 -178.4(4) . . . . ?
Dy2 N3 C10 C9 2.0(5) . . . . ?
Dy2 N3 C13 C12 178.7(4) . . . . ?
Dy2 N5 N6 C34 13.7(5) . . . . ?
Dy2 N5 C33 C31 -8.7(8) . . . . ?
F5 C39 C40 O9 -112.2(5) . . . . ?
F5 C39 C40 C41 66.8(6) . . . . ?
F4 C39 C40 O9 11.3(6) . . . . ?
F4 C39 C40 C41 -169.8(4) . . . . ?
F6 C39 C40 O9 129.6(4) . . . . ?
F6 C39 C40 C41 -51.4(6) . . . . ?
O10 C42 C41 C46 -178.5(4) . . . . ?
O10 C42 C41 C40 -7.8(7) . . . . ?
O10 C42 C43 C47 -148.0(4) . . . . ?
O10 C42 C43 C50 -17.9(7) . . . . ?
O10 C42 C43 C44 108.4(5) . . . . ?
O7 C15 C14 F1 -140.1(4) . . . . ?
O7 C15 C14 F3 -21.1(6) . . . . ?
O7 C15 C14 F2 101.6(5) . . . . ?
O6 C34 C35 N7 -3.7(6) . . . . ?
O6 C34 C35 C36 175.7(5) . . . . ?
O5 C32 C31 C33 -1.1(8) . . . . ?
O5 C32 C31 C30 178.0(5) . . . . ?
O5 C32 C27 O4 1.2(7) . . . . ?
O5 C32 C27 C28 -179.1(5) . . . . ?
O1 C2 C7 O2 -3.2(7) . . . . ?
O1 C2 C7 C6 176.7(4) . . . . ?
N3 C10 C9 O3 4.1(6) . . . . ?
N3 C10 C9 N2 -175.8(4) . . . . ?
N4 C11 C10 N3 -0.3(8) . . . . ?
N4 C11 C10 C9 179.3(5) . . . . ?
N4 C12 C13 N3 -0.5(8) . . . . ?
N5 N6 C34 O6 3.4(6) . . . . ?
N5 N6 C34 C35 -177.6(4) . . . . ?
N5 C33 C31 C32 -12.5(8) . . . . ?
N5 C33 C31 C30 168.4(5) . . . . ?
N8 C36 C35 N7 -1.1(8) . . . . ?
N8 C36 C35 C34 179.6(5) . . . . ?
N2 N1 C8 C6 -179.7(4) . . . . ?
N7 C38 C37 N8 -1.2(8) . . . . ?
N6 N5 C33 C31 -179.0(5) . . . . ?
N6 C34 C35 N7 177.2(4) . . . . ?
N6 C34 C35 C36 -3.4(8) . . . . ?
N1 N2 C9 O3 -1.7(6) . . . . ?
N1 N2 C9 C10 178.3(4) . . . . ?
C45 C46 C41 C42 72.9(4) . . . . ?
C45 C46 C41 C40 -96.2(5) . . . . ?
C23 C22 C21 C16 172.4(4) . . . . ?
C23 C22 C21 C20 63.2(5) . . . . ?
C16 C15 C14 F1 42.7(6) . . . . ?
C16 C15 C14 F3 161.8(4) . . . . ?
C16 C15 C14 F2 -75.5(6) . . . . ?
C47 C46 C41 C42 -34.0(4) . . . . ?
C47 C46 C41 C40 156.9(5) . . . . ?
C47 C43 C44 C45 -32.9(4) . . . . ?
C33 N5 N6 C34 -175.1(5) . . . . ?
C36 N8 C37 C38 1.0(8) . . . . ?
C46 C45 C44 C43 -2.7(4) . . . . ?
C46 C47 C43 C42 -51.1(4) . . . . ?
C46 C47 C43 C50 -178.2(4) . . . . ?
C46 C47 C43 C44 54.0(3) . . . . ?
C46 C41 C40 O9 170.8(4) . . . . ?
C46 C41 C40 C39 -8.0(7) . . . . ?
C42 C41 C40 O9 3.2(7) . . . . ?
C42 C41 C40 C39 -175.6(4) . . . . ?
C42 C43 C44 C45 70.7(4) . . . . ?
C26 O4 C27 C32 176.6(5) . . . . ?
C26 O4 C27 C28 -3.1(8) . . . . ?
C49 C47 C46 C45 61.1(4) . . . . ?
C49 C47 C46 C41 170.4(4) . . . . ?
C49 C47 C43 C42 -168.2(4) . . . . ?
C49 C47 C43 C50 64.7(6) . . . . ?
C49 C47 C43 C44 -63.0(4) . . . . ?
C11 N4 C12 C13 -0.1(8) . . . . ?
C11 C10 C9 O3 -175.5(4) . . . . ?
C11 C10 C9 N2 4.6(7) . . . . ?
C48 C47 C46 C45 -174.3(4) . . . . ?
C48 C47 C46 C41 -65.1(4) . . . . ?
C48 C47 C43 C42 65.9(4) . . . . ?
C48 C47 C43 C50 -61.1(5) . . . . ?
C48 C47 C43 C44 171.1(4) . . . . ?
C1 O1 C2 C3 3.0(8) . . . . ?
C1 O1 C2 C7 -175.7(5) . . . . ?
C56 N10 C54 O12 0.4(9) . . . . ?
C3 C4 C5 C6 -0.4(8) . . . . ?
C3 C2 C7 O2 178.0(5) . . . . ?
C3 C2 C7 C6 -2.1(7) . . . . ?
C4 C3 C2 O1 -178.1(5) . . . . ?
C4 C3 C2 C7 0.5(8) . . . . ?
C35 N7 C38 C37 0.1(7) . . . . ?
C18 C19 C20 C21 -2.1(4) . . . . ?
C18 C22 C21 C16 53.6(4) . . . . ?
C18 C22 C21 C20 -55.6(3) . . . . ?
C55 N10 C54 O12 -176.6(7) . . . . ?
C5 C6 C7 O2 -177.8(5) . . . . ?
C5 C6 C7 C2 2.3(7) . . . . ?
C5 C6 C8 N1 -168.0(5) . . . . ?
C15 C16 C17 O8 10.4(7) . . . . ?
C15 C16 C17 C18 -169.7(4) . . . . ?
C15 C16 C21 C20 -119.6(5) . . . . ?
C15 C16 C21 C22 133.8(5) . . . . ?
C50 C43 C44 C45 -163.3(4) . . . . ?
C10 N3 C13 C12 0.6(7) . . . . ?
C9 N2 N1 Dy1 -14.8(5) . . . . ?
C9 N2 N1 C8 173.9(4) . . . . ?
C41 C42 C43 C47 33.9(4) . . . . ?
C41 C42 C43 C50 163.9(4) . . . . ?
C41 C42 C43 C44 -69.8(4) . . . . ?
C12 N4 C11 C10 0.5(7) . . . . ?
C38 N7 C35 C36 1.0(7) . . . . ?
C38 N7 C35 C34 -179.6(4) . . . . ?
C2 C3 C4 C5 0.7(9) . . . . ?
C43 C47 C46 C45 -57.4(3) . . . . ?
C43 C47 C46 C41 51.9(3) . . . . ?
C43 C42 C41 C46 -0.3(4) . . . . ?
C43 C42 C41 C40 170.3(4) . . . . ?
C25 C18 C19 C20 -163.8(4) . . . . ?
C25 C18 C17 O8 -17.6(6) . . . . ?
C25 C18 C17 C16 162.4(4) . . . . ?
C25 C18 C22 C23 63.3(5) . . . . ?
C25 C18 C22 C24 -60.5(5) . . . . ?
C25 C18 C22 C21 -178.3(4) . . . . ?
C19 C18 C17 O8 109.0(4) . . . . ?
C19 C18 C17 C16 -70.9(4) . . . . ?
C19 C18 C22 C23 -65.5(4) . . . . ?
C19 C18 C22 C24 170.8(3) . . . . ?
C19 C18 C22 C21 52.9(3) . . . . ?
C19 C20 C21 C16 -67.9(4) . . . . ?
C19 C20 C21 C22 36.7(4) . . . . ?
C7 C6 C5 C4 -1.2(8) . . . . ?
C7 C6 C8 N1 12.1(8) . . . . ?
C31 C32 C27 O4 -178.3(4) . . . . ?
C31 C32 C27 C28 1.4(7) . . . . ?
C31 C30 C29 C28 -0.2(9) . . . . ?
C24 C22 C21 C16 -64.5(4) . . . . ?
C24 C22 C21 C20 -173.6(4) . . . . ?
C29 C30 C31 C33 -178.8(5) . . . . ?
C29 C30 C31 C32 2.0(8) . . . . ?
C29 C28 C27 O4 -180.0(5) . . . . ?
C29 C28 C27 C32 0.4(8) . . . . ?
C44 C45 C46 C47 38.3(4) . . . . ?
C44 C45 C46 C41 -68.6(4) . . . . ?
C17 C16 C15 O7 -5.5(7) . . . . ?
C17 C16 C15 C14 171.4(4) . . . . ?
C17 C16 C21 C20 70.9(4) . . . . ?
C17 C16 C21 C22 -35.7(4) . . . . ?
C17 C18 C19 C20 70.4(4) . . . . ?
C17 C18 C22 C23 -171.0(4) . . . . ?
C17 C18 C22 C24 65.2(4) . . . . ?
C17 C18 C22 C21 -52.6(3) . . . . ?
C37 N8 C36 C35 0.1(8) . . . . ?
C22 C18 C19 C20 -32.7(4) . . . . ?
C22 C18 C17 O8 -146.7(4) . . . . ?
C22 C18 C17 C16 33.3(4) . . . . ?
C8 C6 C5 C4 178.8(5) . . . . ?
C8 C6 C7 O2 2.2(8) . . . . ?
C8 C6 C7 C2 -177.7(5) . . . . ?
C13 N3 C10 C11 -0.2(7) . . . . ?
C13 N3 C10 C9 -179.9(4) . . . . ?
C27 C32 C31 C33 178.4(5) . . . . ?
C27 C32 C31 C30 -2.6(7) . . . . ?
C27 C28 C29 C30 -1.0(9) . . . . ?
C21 C16 C15 O7 -173.6(4) . . . . ?
C21 C16 C15 C14 3.2(7) . . . . ?
C21 C16 C17 O8 -178.6(4) . . . . ?
C21 C16 C17 C18 1.3(4) . . . . ?
C52 N9 C51 O11 0.1(10) . . . . ?
C53 N9 C51 O11 172.7(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.297
_oxdiff_exptl_absorpt_empirical_full_min 0.748
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_l2
_database_code_depnum_ccdc_archive 'CCDC 2308019'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-11-15 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2023-11-14
_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         'C52 H54 Dy2 F6 N6 O12, 2(C3 H7 N O)'
_chemical_formula_sum            'C58 H68 Dy2 F6 N8 O14'
_chemical_formula_weight         1540.20
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFDy
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'
Dy Dy -0.1892 4.4098 '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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.94360(18)
_cell_length_b                   18.4933(3)
_cell_length_c                   14.1704(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.2910(14)
_cell_angle_gamma                90
_cell_volume                     3124.75(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    36987
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      31.0020
_cell_measurement_theta_min      1.6980
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.460
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69007
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.878
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            62716
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.834
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.013
_diffrn_reflns_theta_min         1.708
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     55.00  94.00   0.50    8.00    --    5.00  45.00  30.00   78
  2  ω     13.00  39.00   0.50    8.00    --    5.00  45.00 120.00   52
  3  ω     61.00  87.00   0.50    8.00    --    5.00  45.00 -13.31   52
  4  ω    -23.00   3.00   0.50    8.00    --    5.00  45.00 -13.31   52
  5  ω     -9.00  16.00   0.50    8.00    --    5.00  45.00  60.00   50
  6  ω     46.00  76.00   0.50    8.00    --    5.00  45.00  60.00   60
  7  ω     12.00  47.00   0.50    8.00    --    5.00  45.00  90.00   70
  8  ω    -64.00  77.00   0.50    8.00    --  -11.50  45.00 179.33  282
  9  ω     29.00  55.00   0.50    8.00    --  -11.50  45.00 150.00   52
 10  ω    -98.00  76.00   0.50    8.00    --  -11.50  45.00 115.59  348
 11  ω    -57.00  77.00   0.50    8.00    --  -11.50  45.00 -14.64  268
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0577350000
_diffrn_orient_matrix_UB_12      -0.0092315000
_diffrn_orient_matrix_UB_13      0.0034009000
_diffrn_orient_matrix_UB_21      -0.0143024000
_diffrn_orient_matrix_UB_22      -0.0370142000
_diffrn_orient_matrix_UB_23      0.0046116000
_diffrn_orient_matrix_UB_31      -0.0007873000
_diffrn_orient_matrix_UB_32      -0.0040622000
_diffrn_orient_matrix_UB_33      -0.0497960000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.850
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.789
_reflns_number_gt                15584
_reflns_number_total             16650
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.751
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 
;
 Flack x determined using 6800 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     808
_refine_ls_number_reflns         16650
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0252
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0324P)²+0.8308P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0601
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 Dy1-H1WA \\sim Dy1-H1WB
 with sigma of 0.02
3.a Riding coordinates:
 O2W(H2WA,H2WB)
3.b Free rotating group:
 O1W(H1WA,H1WB)
3.c Ternary CH refined with riding coordinates:
 C44(H44), C36(H36)
3.d Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B), C46(H46A,H46B), C45(H45A,H45B), C34(H34A,H34B)
3.e Aromatic/amide H refined with riding coordinates:
 C17(H17), C26(H26), C19(H19), C56(H56), C11(H11), C18(H18), C8(H8), C14(H14),
 C25(H25), C5(H5), C28(H28), C12(H12), C4(H4), C22(H22), C13(H13), C3(H3),
 C27(H27), C53(H53)
3.f Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C58(H58A,H58B,H58C), C15(H15A,H15B,H15C), C40(H40A,H40B,
 H40C), C50(H50A,H50B,H50C), C1(H1A,H1B,H1C), C57(H57A,H57B,H57C), C52(H52A,
 H52B,H52C), C39(H39A,H39B,H39C), C51(H51A,H51B,H51C), C54(H54A,H54B,H54C),
 C55(H55A,H55B,H55C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.39776(2) 0.45638(2) 0.15384(2) 0.01515(5) Uani 1 1 d D . . . .
Dy2 Dy 0.59541(2) 0.54189(2) 0.35233(2) 0.01565(5) Uani 1 1 d . . . . .
F6 F 0.9007(3) 0.3287(3) 0.3187(3) 0.0598(12) Uani 1 1 d . . . . .
F5 F 0.7523(4) 0.3280(2) 0.2309(2) 0.0486(11) Uani 1 1 d . . . . .
F4 F 0.7681(5) 0.2626(2) 0.3555(3) 0.0731(15) Uani 1 1 d . . . . .
F1 F 0.2481(3) 0.6732(2) 0.2707(2) 0.0530(12) Uani 1 1 d . . . . .
F3 F 0.2312(4) 0.7346(2) 0.1420(3) 0.0629(12) Uani 1 1 d . . . . .
F2 F 0.0948(3) 0.6731(2) 0.1865(2) 0.0481(10) Uani 1 1 d . . . . .
O7 O 0.3369(3) 0.57749(19) 0.1638(2) 0.0204(7) Uani 1 1 d . . . . .
O6 O 0.5734(2) 0.50830(17) 0.1910(2) 0.0167(6) Uani 1 1 d . . . . .
O4 O 0.7380(3) 0.6999(2) 0.5755(2) 0.0342(9) Uani 1 1 d . . . . .
O5 O 0.6860(3) 0.6348(2) 0.4141(3) 0.0254(8) Uani 1 1 d . . . . .
O12 O 0.5365(4) 0.7800(2) 0.2894(3) 0.0437(10) Uani 1 1 d . . . . .
O8 O 0.3141(3) 0.49129(19) 0.0018(2) 0.0240(7) Uani 1 1 d . . . . .
O10 O 0.6666(3) 0.4985(2) 0.5056(2) 0.0273(8) Uani 1 1 d . . . . .
O2 O 0.3067(3) 0.3607(2) 0.0982(2) 0.0225(8) Uani 1 1 d . . . . .
O9 O 0.6619(3) 0.42292(18) 0.3348(2) 0.0216(7) Uani 1 1 d . . . . .
O3 O 0.4188(2) 0.49208(18) 0.3141(2) 0.0174(6) Uani 1 1 d . . . . .
O1 O 0.2562(3) 0.2924(2) -0.0614(3) 0.0341(9) Uani 1 1 d . . . . .
O2W O 0.5020(3) 0.6391(2) 0.2752(3) 0.0293(9) Uani 1 1 d . . . . .
H2WA H 0.545908 0.675491 0.274117 0.044 Uiso 1 1 d R U . . .
H2WB H 0.488158 0.628531 0.216907 0.044 Uiso 1 1 d R U . . .
O1W O 0.4916(3) 0.3609(2) 0.2308(3) 0.0288(9) Uani 1 1 d G . . . .
H1WA H 0.482523 0.314529 0.223351 0.043 Uiso 1 1 d DG U . . .
H1WB H 0.557283 0.365208 0.260044 0.043 Uiso 1 1 d DG U . . .
N5 N 0.7642(3) 0.5192(2) 0.1743(3) 0.0220(9) Uani 1 1 d . . . . .
N3 N 0.4482(4) 0.5703(2) 0.4670(3) 0.0207(9) Uani 1 1 d . . . . .
N6 N 0.5447(4) 0.4313(2) 0.0371(3) 0.0190(9) Uani 1 1 d . . . . .
N8 N 0.5764(5) 0.8499(3) 0.4180(4) 0.0520(15) Uani 1 1 d . . . . .
N4 N 0.7626(3) 0.5555(2) 0.2624(3) 0.0208(9) Uani 1 1 d . . . . .
N1 N 0.2299(3) 0.4469(2) 0.2436(3) 0.0196(9) Uani 1 1 d . . . . .
N2 N 0.2270(3) 0.4848(2) 0.3296(3) 0.0209(8) Uani 1 1 d . . . . .
C37 C 0.1350(4) 0.6177(3) -0.1128(3) 0.0264(9) Uani 1 1 d . . . . .
C38 C 0.0459(5) 0.6386(3) -0.1908(4) 0.0382(13) Uani 1 1 d . . . . .
H38A H 0.026384 0.689773 -0.184264 0.057 Uiso 1 1 calc R U . . .
H38B H -0.021227 0.608874 -0.185028 0.057 Uiso 1 1 calc R U . . .
H38C H 0.075951 0.630570 -0.252893 0.057 Uiso 1 1 calc R U . . .
C47 C 0.7913(4) 0.4398(2) 0.6261(3) 0.0283(10) Uani 1 1 d . . . . .
C17 C 0.9357(5) 0.6964(3) 0.5450(4) 0.0308(12) Uani 1 1 d . . . . .
H17 H 0.956031 0.720784 0.602441 0.037 Uiso 1 1 calc R U . . .
C26 C 0.7162(4) 0.3969(3) -0.0779(3) 0.0312(12) Uani 1 1 d . . . . .
H26 H 0.774989 0.384623 -0.117376 0.037 Uiso 1 1 calc R U . . .
C58 C 0.5835(7) 0.9160(4) 0.3663(5) 0.066(2) Uani 1 1 d . . . . .
H58A H 0.659832 0.935333 0.374637 0.099 Uiso 1 1 calc R U . . .
H58B H 0.530371 0.951103 0.389900 0.099 Uiso 1 1 calc R U . . .
H58C H 0.565246 0.906828 0.299097 0.099 Uiso 1 1 calc R U . . .
C15 C 0.7655(6) 0.7319(4) 0.6655(4) 0.0508(18) Uani 1 1 d . . . . .
H15A H 0.819420 0.701064 0.701402 0.076 Uiso 1 1 calc R U . . .
H15B H 0.697374 0.736874 0.700350 0.076 Uiso 1 1 calc R U . . .
H15C H 0.798675 0.779711 0.656642 0.076 Uiso 1 1 calc R U . . .
C31 C 0.1918(4) 0.5884(2) 0.0445(3) 0.0190(9) Uani 1 1 d . . . . .
C19 C 0.9915(4) 0.6402(3) 0.4036(3) 0.0265(11) Uani 1 1 d . . . . .
H19 H 1.048944 0.626410 0.363545 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7927(4) 0.6457(3) 0.4348(3) 0.0215(10) Uani 1 1 d . . . . .
C56 C 0.5540(6) 0.7870(4) 0.3749(4) 0.0421(15) Uani 1 1 d . . . . .
H56 H 0.551461 0.744892 0.413069 0.051 Uiso 1 1 calc R U . . .
C11 C 0.2571(4) 0.5644(3) 0.5042(3) 0.0227(10) Uani 1 1 d . . . . .
H11 H 0.182677 0.548681 0.488121 0.027 Uiso 1 1 calc R U . . .
C18 C 1.0185(5) 0.6757(3) 0.4861(4) 0.0315(12) Uani 1 1 d . . . . .
H18 H 1.094748 0.686434 0.503334 0.038 Uiso 1 1 calc R U . . .
C42 C 0.7421(4) 0.3876(3) 0.3777(3) 0.0193(9) Uani 1 1 d . . . . .
C35 C -0.0001(4) 0.5628(3) -0.0152(4) 0.0314(10) Uani 1 1 d . . . . .
H35A H -0.013183 0.544211 0.048809 0.038 Uiso 1 1 calc R U . . .
H35B H -0.071363 0.582037 -0.044209 0.038 Uiso 1 1 calc R U . . .
C8 C 0.1344(4) 0.4180(3) 0.2165(3) 0.0218(10) Uani 1 1 d . . . . .
H8 H 0.073228 0.425215 0.255372 0.026 Uiso 1 1 calc R U . . .
C14 C 0.4702(4) 0.6084(3) 0.5462(3) 0.0234(10) Uani 1 1 d . . . . .
H14 H 0.545025 0.623638 0.561201 0.028 Uiso 1 1 calc R U . . .
C25 C 0.7388(4) 0.4380(3) 0.0035(3) 0.0258(11) Uani 1 1 d . . . . .
H25 H 0.812658 0.454514 0.020251 0.031 Uiso 1 1 calc R U . . .
C5 C 0.0019(4) 0.3593(3) 0.1051(3) 0.0271(11) Uani 1 1 d . . . . .
H5 H -0.055643 0.375350 0.143641 0.033 Uiso 1 1 calc R U . . .
C24 C 0.6512(3) 0.4541(3) 0.0589(3) 0.0193(8) Uani 1 1 d . . . . .
C6 C 0.1142(4) 0.3754(3) 0.1310(3) 0.0228(9) Uani 1 1 d . . . . .
C28 C 0.5247(4) 0.3920(3) -0.0419(3) 0.0250(10) Uani 1 1 d . . . . .
H28 H 0.450314 0.375997 -0.057506 0.030 Uiso 1 1 calc R U . . .
C46 C 0.7379(4) 0.3664(3) 0.6547(3) 0.0337(11) Uani 1 1 d . . . . .
H46A H 0.755140 0.356122 0.722553 0.040 Uiso 1 1 calc R U . . .
H46B H 0.655468 0.367516 0.642581 0.040 Uiso 1 1 calc R U . . .
C12 C 0.2804(4) 0.6035(3) 0.5847(3) 0.0273(11) Uani 1 1 d . . . . .
H12 H 0.222262 0.614863 0.625275 0.033 Uiso 1 1 calc R U . . .
C16 C 0.8247(4) 0.6822(3) 0.5220(3) 0.0248(10) Uani 1 1 d . . . . .
C20 C 0.8775(4) 0.6237(3) 0.3773(3) 0.0207(9) Uani 1 1 d . . . . .
C33 C 0.1625(4) 0.5356(3) -0.1075(3) 0.0253(8) Uani 1 1 d . . . . .
C4 C -0.0259(4) 0.3203(3) 0.0237(4) 0.0285(11) Uani 1 1 d . . . . .
H4 H -0.102165 0.309184 0.007167 0.034 Uiso 1 1 calc R U . . .
C45 C 0.7906(4) 0.3090(3) 0.5929(3) 0.0307(10) Uani 1 1 d . . . . .
H45A H 0.732701 0.282402 0.554000 0.037 Uiso 1 1 calc R U . . .
H45B H 0.836146 0.274056 0.631711 0.037 Uiso 1 1 calc R U . . .
C40 C 0.2147(5) 0.4989(3) -0.1889(3) 0.0343(12) Uani 1 1 d . . . . .
H40A H 0.164155 0.502769 -0.245646 0.051 Uiso 1 1 calc R U . . .
H40B H 0.227609 0.447755 -0.173665 0.051 Uiso 1 1 calc R U . . .
H40C H 0.286326 0.522187 -0.200443 0.051 Uiso 1 1 calc R U . . .
C9 C 0.3274(4) 0.5058(3) 0.3573(3) 0.0170(9) Uani 1 1 d . . . . .
C10 C 0.3429(4) 0.5480(3) 0.4465(3) 0.0178(8) Uani 1 1 d . . . . .
C22 C 0.8564(4) 0.5848(3) 0.2898(3) 0.0229(10) Uani 1 1 d . . . . .
H22 H 0.916726 0.580462 0.249259 0.028 Uiso 1 1 calc R U . . .
C50 C 0.9779(5) 0.4734(3) 0.5560(5) 0.0431(14) Uani 1 1 d . . . . .
H50A H 0.935060 0.492499 0.500430 0.065 Uiso 1 1 calc R U . . .
H50B H 1.048986 0.453305 0.536730 0.065 Uiso 1 1 calc R U . . .
H50C H 0.993029 0.512438 0.601712 0.065 Uiso 1 1 calc R U . . .
C41 C 0.7894(5) 0.3264(3) 0.3198(4) 0.0272(11) Uani 1 1 d . . . . .
C13 C 0.3883(4) 0.6263(3) 0.6068(3) 0.0256(10) Uani 1 1 d . . . . .
H13 H 0.406025 0.653747 0.662316 0.031 Uiso 1 1 calc R U . . .
C3 C 0.0569(4) 0.2975(3) -0.0333(4) 0.0278(11) Uani 1 1 d . . . . .
H3 H 0.037324 0.271857 -0.089898 0.033 Uiso 1 1 calc R U . . .
C23 C 0.6641(4) 0.4967(2) 0.1478(3) 0.0168(8) Uani 1 1 d . . . . .
C29 C 0.2064(5) 0.6718(3) 0.1820(4) 0.0298(12) Uani 1 1 d . . . . .
C48 C 0.7381(4) 0.4524(3) 0.5264(3) 0.0225(9) Uani 1 1 d . . . . .
C1 C 0.2286(6) 0.2584(4) -0.1502(4) 0.0479(17) Uani 1 1 d . . . . .
H1A H 0.189853 0.212597 -0.139708 0.072 Uiso 1 1 calc R U . . .
H1B H 0.297457 0.248908 -0.182566 0.072 Uiso 1 1 calc R U . . .
H1C H 0.179540 0.290228 -0.189346 0.072 Uiso 1 1 calc R U . . .
C57 C 0.5847(10) 0.8542(5) 0.5190(6) 0.096(4) Uani 1 1 d . . . . .
H57A H 0.528806 0.888435 0.540185 0.143 Uiso 1 1 calc R U . . .
H57B H 0.659979 0.870804 0.540078 0.143 Uiso 1 1 calc R U . . .
H57C H 0.571177 0.806369 0.545748 0.143 Uiso 1 1 calc R U . . .
C52 C 0.7796(6) 0.5024(4) 0.6930(4) 0.0440(15) Uani 1 1 d . . . . .
H52A H 0.806209 0.546744 0.663754 0.066 Uiso 1 1 calc R U . . .
H52B H 0.824333 0.492999 0.751820 0.066 Uiso 1 1 calc R U . . .
H52C H 0.700609 0.508097 0.706753 0.066 Uiso 1 1 calc R U . . .
C39 C 0.2383(4) 0.6647(3) -0.1249(4) 0.0337(11) Uani 1 1 d . . . . .
H39A H 0.295543 0.653632 -0.074641 0.051 Uiso 1 1 calc R U . . .
H39B H 0.217391 0.715837 -0.121306 0.051 Uiso 1 1 calc R U . . .
H39C H 0.268326 0.654850 -0.186535 0.051 Uiso 1 1 calc R U . . .
C27 C 0.6077(5) 0.3740(3) -0.1007(3) 0.0308(12) Uani 1 1 d . . . . .
H27 H 0.590951 0.346304 -0.156180 0.037 Uiso 1 1 calc R U . . .
C7 C 0.2011(4) 0.3502(3) 0.0763(3) 0.0211(10) Uani 1 1 d . . . . .
C30 C 0.2471(4) 0.6077(3) 0.1269(3) 0.0191(9) Uani 1 1 d . . . . .
C44 C 0.8649(4) 0.3557(2) 0.5308(3) 0.0244(9) Uani 1 1 d . . . . .
H44 H 0.923358 0.328459 0.497622 0.029 Uiso 1 1 calc R U . . .
C51 C 0.9806(5) 0.3827(3) 0.6846(4) 0.0420(14) Uani 1 1 d . . . . .
H51A H 1.049598 0.361842 0.662114 0.063 Uiso 1 1 calc R U . . .
H51B H 0.937506 0.344901 0.714733 0.063 Uiso 1 1 calc R U . . .
H51C H 0.999552 0.421004 0.730541 0.063 Uiso 1 1 calc R U . . .
C43 C 0.7841(4) 0.3989(3) 0.4673(3) 0.0216(9) Uani 1 1 d . . . . .
C2 C 0.1687(4) 0.3120(3) -0.0085(4) 0.0269(11) Uani 1 1 d . . . . .
C36 C 0.0928(4) 0.6207(2) -0.0118(3) 0.0245(9) Uani 1 1 d . . . . .
H36 H 0.069264 0.669644 0.009501 0.029 Uiso 1 1 calc R U . . .
C34 C 0.0489(4) 0.5036(3) -0.0774(3) 0.0308(11) Uani 1 1 d . . . . .
H34A H -0.002092 0.493621 -0.133471 0.037 Uiso 1 1 calc R U . . .
H34B H 0.061247 0.458240 -0.041246 0.037 Uiso 1 1 calc R U . . .
C32 C 0.2339(4) 0.5335(3) -0.0156(3) 0.0201(9) Uani 1 1 d . . . . .
C49 C 0.9105(4) 0.4143(3) 0.6012(3) 0.0303(10) Uani 1 1 d . . . . .
O11 O 0.4780(4) 0.2196(2) 0.2065(3) 0.0387(9) Uani 1 1 d . . . . .
N7 N 0.4479(4) 0.1505(3) 0.0768(3) 0.0397(11) Uani 1 1 d . . . . .
C54 C 0.4562(6) 0.0823(3) 0.1279(5) 0.0525(16) Uani 1 1 d . . . . .
H54A H 0.385014 0.056093 0.119256 0.079 Uiso 1 1 calc R U . . .
H54B H 0.472390 0.091890 0.195358 0.079 Uiso 1 1 calc R U . . .
H54C H 0.516580 0.053079 0.103656 0.079 Uiso 1 1 calc R U . . .
C55 C 0.4305(9) 0.1469(5) -0.0262(6) 0.075(3) Uani 1 1 d . . . . .
H55A H 0.359223 0.122468 -0.042880 0.112 Uiso 1 1 calc R U . . .
H55B H 0.492029 0.119783 -0.052378 0.112 Uiso 1 1 calc R U . . .
H55C H 0.428441 0.195953 -0.052362 0.112 Uiso 1 1 calc R U . . .
C53 C 0.4590(5) 0.2122(3) 0.1223(4) 0.0350(13) Uani 1 1 d . . . . .
H53 H 0.451460 0.255129 0.085642 0.042 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.9015(2) . ?
Dy1 O7 2.361(3) . ?
Dy1 O6 2.339(3) . ?
Dy1 O8 2.410(3) . ?
Dy1 O2 2.200(3) . ?
Dy1 O3 2.365(3) . ?
Dy1 O1W 2.328(4) . ?
Dy1 N6 2.522(4) . ?
Dy1 N1 2.441(4) . ?
Dy2 O6 2.370(3) . ?
Dy2 O5 2.186(4) . ?
Dy2 O10 2.423(3) . ?
Dy2 O9 2.357(3) . ?
Dy2 O3 2.336(3) . ?
Dy2 O2W 2.352(4) . ?
Dy2 N3 2.517(4) . ?
Dy2 N4 2.442(4) . ?
F6 C41 1.331(6) . ?
F5 C41 1.312(6) . ?
F4 C41 1.314(7) . ?
F1 C29 1.325(6) . ?
F3 C29 1.334(7) . ?
F2 C29 1.338(6) . ?
O7 C30 1.292(6) . ?
O6 C23 1.292(5) . ?
O4 C15 1.427(6) . ?
O4 C16 1.359(6) . ?
O5 C21 1.308(6) . ?
O12 C56 1.224(7) . ?
O8 C32 1.250(6) . ?
O10 C48 1.231(6) . ?
O2 C7 1.296(6) . ?
O9 C42 1.283(6) . ?
O3 C9 1.308(5) . ?
O1 C1 1.429(6) . ?
O1 C2 1.369(6) . ?
O2W H2WA 0.8542 . ?
O2W H2WB 0.8553 . ?
O1W H1WA 0.8701 . ?
O1W H1WB 0.8699 . ?
N5 N4 1.419(5) . ?
N5 C23 1.301(6) . ?
N3 C14 1.338(6) . ?
N3 C10 1.339(6) . ?
N6 C24 1.359(6) . ?
N6 C28 1.345(6) . ?
N8 C58 1.430(9) . ?
N8 C56 1.333(8) . ?
N8 C57 1.431(9) . ?
N4 C22 1.285(6) . ?
N1 N2 1.408(5) . ?
N1 C8 1.297(6) . ?
N2 C9 1.299(6) . ?
C37 C38 1.539(6) . ?
C37 C33 1.554(6) . ?
C37 C39 1.528(7) . ?
C37 C36 1.545(6) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C47 C46 1.564(7) . ?
C47 C48 1.533(6) . ?
C47 C52 1.507(7) . ?
C47 C49 1.560(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.384(8) . ?
C17 C16 1.372(7) . ?
C26 H26 0.9500 . ?
C26 C25 1.395(7) . ?
C26 C27 1.384(8) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C31 C30 1.355(6) . ?
C31 C36 1.510(6) . ?
C31 C32 1.435(7) . ?
C19 H19 0.9500 . ?
C19 C18 1.364(7) . ?
C19 C20 1.424(6) . ?
C21 C16 1.440(6) . ?
C21 C20 1.397(7) . ?
C56 H56 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.365(7) . ?
C11 C10 1.382(6) . ?
C18 H18 0.9500 . ?
C42 C41 1.525(7) . ?
C42 C43 1.355(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.541(6) . ?
C35 C34 1.541(7) . ?
C8 H8 0.9500 . ?
C8 C6 1.453(7) . ?
C14 H14 0.9500 . ?
C14 C13 1.378(7) . ?
C25 H25 0.9500 . ?
C25 C24 1.376(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.402(7) . ?
C5 C4 1.384(7) . ?
C24 C23 1.487(6) . ?
C6 C7 1.410(7) . ?
C28 H28 0.9500 . ?
C28 C27 1.372(7) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C45 1.534(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.376(7) . ?
C20 C22 1.443(7) . ?
C33 C40 1.505(7) . ?
C33 C34 1.562(7) . ?
C33 C32 1.515(6) . ?
C4 H4 0.9500 . ?
C4 C3 1.378(7) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C44 1.548(6) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C9 C10 1.488(6) . ?
C22 H22 0.9500 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C50 C49 1.519(7) . ?
C13 H13 0.9500 . ?
C3 H3 0.9500 . ?
C3 C2 1.387(7) . ?
C29 C30 1.515(7) . ?
C48 C43 1.427(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C27 H27 0.9500 . ?
C7 C2 1.428(7) . ?
C44 H44 1.0000 . ?
C44 C43 1.510(6) . ?
C44 C49 1.551(6) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C51 C49 1.525(6) . ?
C36 H36 1.0000 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
O11 C53 1.209(6) . ?
N7 C54 1.455(8) . ?
N7 C55 1.464(9) . ?
N7 C53 1.314(7) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C53 H53 0.9500 . ?

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
O7 Dy1 Dy2 75.42(7) . . ?
O7 Dy1 O8 71.69(11) . . ?
O7 Dy1 O3 72.20(11) . . ?
O7 Dy1 N6 116.18(12) . . ?
O7 Dy1 N1 76.82(13) . . ?
O6 Dy1 Dy2 34.30(7) . . ?
O6 Dy1 O7 82.67(11) . . ?
O6 Dy1 O8 114.29(11) . . ?
O6 Dy1 O3 67.96(10) . . ?
O6 Dy1 N6 64.80(12) . . ?
O6 Dy1 N1 131.68(12) . . ?
O8 Dy1 Dy2 137.59(8) . . ?
O8 Dy1 N6 74.41(13) . . ?
O8 Dy1 N1 100.01(12) . . ?
O2 Dy1 Dy2 148.31(9) . . ?
O2 Dy1 O7 129.56(12) . . ?
O2 Dy1 O6 146.03(12) . . ?
O2 Dy1 O8 73.98(13) . . ?
O2 Dy1 O3 126.32(12) . . ?
O2 Dy1 O1W 76.85(14) . . ?
O2 Dy1 N6 88.01(13) . . ?
O2 Dy1 N1 74.06(13) . . ?
O3 Dy1 Dy2 33.67(7) . . ?
O3 Dy1 O8 143.08(11) . . ?
O3 Dy1 N6 129.89(12) . . ?
O3 Dy1 N1 64.23(12) . . ?
O1W Dy1 Dy2 73.43(9) . . ?
O1W Dy1 O7 146.40(12) . . ?
O1W Dy1 O6 78.74(12) . . ?
O1W Dy1 O8 141.75(12) . . ?
O1W Dy1 O3 74.94(12) . . ?
O1W Dy1 N6 80.42(14) . . ?
O1W Dy1 N1 95.14(14) . . ?
N6 Dy1 Dy2 97.60(10) . . ?
N1 Dy1 Dy2 97.74(9) . . ?
N1 Dy1 N6 162.07(14) . . ?
O6 Dy2 Dy1 33.80(7) . . ?
O6 Dy2 O10 142.37(12) . . ?
O6 Dy2 N3 129.39(13) . . ?
O6 Dy2 N4 64.69(12) . . ?
O5 Dy2 Dy1 150.71(10) . . ?
O5 Dy2 O6 128.12(12) . . ?
O5 Dy2 O10 76.19(14) . . ?
O5 Dy2 O9 127.87(13) . . ?
O5 Dy2 O3 145.28(12) . . ?
O5 Dy2 O2W 78.23(15) . . ?
O5 Dy2 N3 85.73(14) . . ?
O5 Dy2 N4 74.17(13) . . ?
O10 Dy2 Dy1 132.73(9) . . ?
O10 Dy2 N3 73.31(13) . . ?
O10 Dy2 N4 104.27(13) . . ?
O9 Dy2 Dy1 74.88(8) . . ?
O9 Dy2 O6 70.91(11) . . ?
O9 Dy2 O10 71.49(11) . . ?
O9 Dy2 N3 120.99(13) . . ?
O9 Dy2 N4 75.58(13) . . ?
O3 Dy2 Dy1 34.14(7) . . ?
O3 Dy2 O6 67.93(10) . . ?
O3 Dy2 O10 110.05(12) . . ?
O3 Dy2 O9 84.98(11) . . ?
O3 Dy2 O2W 78.21(12) . . ?
O3 Dy2 N3 64.99(13) . . ?
O3 Dy2 N4 132.36(12) . . ?
O2W Dy2 Dy1 73.94(9) . . ?
O2W Dy2 O6 74.24(12) . . ?
O2W Dy2 O10 143.36(12) . . ?
O2W Dy2 O9 144.90(12) . . ?
O2W Dy2 N3 79.05(14) . . ?
O2W Dy2 N4 93.38(14) . . ?
N3 Dy2 Dy1 97.68(10) . . ?
N4 Dy2 Dy1 98.32(9) . . ?
N4 Dy2 N3 159.63(15) . . ?
C30 O7 Dy1 129.5(3) . . ?
Dy1 O6 Dy2 111.90(11) . . ?
C23 O6 Dy1 126.2(3) . . ?
C23 O6 Dy2 116.8(3) . . ?
C16 O4 C15 117.1(4) . . ?
C21 O5 Dy2 131.7(3) . . ?
C32 O8 Dy1 128.2(3) . . ?
C48 O10 Dy2 130.3(3) . . ?
C7 O2 Dy1 131.3(3) . . ?
C42 O9 Dy2 132.2(3) . . ?
Dy2 O3 Dy1 112.19(12) . . ?
C9 O3 Dy1 117.3(3) . . ?
C9 O3 Dy2 125.6(3) . . ?
C2 O1 C1 117.0(4) . . ?
Dy2 O2W H2WA 109.6 . . ?
Dy2 O2W H2WB 109.5 . . ?
H2WA O2W H2WB 104.3 . . ?
Dy1 O1W H1WA 129.6 . . ?
Dy1 O1W H1WB 123.4 . . ?
H1WA O1W H1WB 104.5 . . ?
C23 N5 N4 110.3(4) . . ?
C14 N3 Dy2 122.7(3) . . ?
C14 N3 C10 118.7(4) . . ?
C10 N3 Dy2 118.5(3) . . ?
C24 N6 Dy1 118.1(3) . . ?
C28 N6 Dy1 123.2(3) . . ?
C28 N6 C24 118.4(4) . . ?
C58 N8 C57 117.5(6) . . ?
C56 N8 C58 121.8(6) . . ?
C56 N8 C57 120.5(6) . . ?
N5 N4 Dy2 117.6(3) . . ?
C22 N4 Dy2 127.7(3) . . ?
C22 N4 N5 114.2(4) . . ?
N2 N1 Dy1 118.5(3) . . ?
C8 N1 Dy1 127.6(3) . . ?
C8 N1 N2 113.4(4) . . ?
C9 N2 N1 110.1(3) . . ?
C38 C37 C33 114.6(4) . . ?
C38 C37 C36 114.1(4) . . ?
C39 C37 C38 107.8(4) . . ?
C39 C37 C33 113.0(4) . . ?
C39 C37 C36 113.1(4) . . ?
C36 C37 C33 94.0(3) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C48 C47 C46 102.5(4) . . ?
C48 C47 C49 99.9(3) . . ?
C52 C47 C46 116.8(4) . . ?
C52 C47 C48 114.5(4) . . ?
C52 C47 C49 119.6(4) . . ?
C49 C47 C46 100.8(4) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.2(5) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C27 C26 C25 119.6(4) . . ?
N8 C58 H58A 109.5 . . ?
N8 C58 H58B 109.5 . . ?
N8 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C30 C31 C36 132.8(4) . . ?
C30 C31 C32 121.8(4) . . ?
C32 C31 C36 104.9(4) . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(5) . . ?
C20 C19 H19 119.9 . . ?
O5 C21 C16 118.2(4) . . ?
O5 C21 C20 123.7(4) . . ?
C20 C21 C16 118.1(4) . . ?
O12 C56 N8 124.4(7) . . ?
O12 C56 H56 117.8 . . ?
N8 C56 H56 117.8 . . ?
C12 C11 H11 120.4 . . ?
C12 C11 C10 119.2(4) . . ?
C10 C11 H11 120.4 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.5(5) . . ?
C19 C18 H18 119.7 . . ?
O9 C42 C41 114.4(4) . . ?
O9 C42 C43 126.3(4) . . ?
C43 C42 C41 119.3(4) . . ?
H35A C35 H35B 109.2 . . ?
C36 C35 H35A 111.3 . . ?
C36 C35 H35B 111.3 . . ?
C34 C35 H35A 111.3 . . ?
C34 C35 H35B 111.3 . . ?
C34 C35 C36 102.4(4) . . ?
N1 C8 H8 117.6 . . ?
N1 C8 C6 124.9(4) . . ?
C6 C8 H8 117.6 . . ?
N3 C14 H14 118.8 . . ?
N3 C14 C13 122.5(5) . . ?
C13 C14 H14 118.8 . . ?
C26 C25 H25 120.9 . . ?
C24 C25 C26 118.1(5) . . ?
C24 C25 H25 120.9 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(5) . . ?
N6 C24 C25 122.5(4) . . ?
N6 C24 C23 114.0(4) . . ?
C25 C24 C23 123.5(4) . . ?
C5 C6 C8 116.4(4) . . ?
C5 C6 C7 120.6(4) . . ?
C7 C6 C8 123.0(4) . . ?
N6 C28 H28 118.8 . . ?
N6 C28 C27 122.5(5) . . ?
C27 C28 H28 118.8 . . ?
C47 C46 H46A 110.6 . . ?
C47 C46 H46B 110.6 . . ?
H46A C46 H46B 108.8 . . ?
C45 C46 C47 105.5(4) . . ?
C45 C46 H46A 110.6 . . ?
C45 C46 H46B 110.6 . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.7(4) . . ?
C13 C12 H12 120.1 . . ?
O4 C16 C17 125.3(4) . . ?
O4 C16 C21 114.8(4) . . ?
C17 C16 C21 119.9(5) . . ?
C19 C20 C22 116.7(4) . . ?
C21 C20 C19 120.0(4) . . ?
C21 C20 C22 123.4(4) . . ?
C37 C33 C34 101.4(4) . . ?
C40 C33 C37 120.0(4) . . ?
C40 C33 C34 116.3(4) . . ?
C40 C33 C32 114.2(4) . . ?
C32 C33 C37 100.0(3) . . ?
C32 C33 C34 102.2(3) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.1(5) . . ?
C3 C4 H4 120.0 . . ?
C46 C45 H45A 111.4 . . ?
C46 C45 H45B 111.4 . . ?
C46 C45 C44 101.9(4) . . ?
H45A C45 H45B 109.3 . . ?
C44 C45 H45A 111.4 . . ?
C44 C45 H45B 111.4 . . ?
C33 C40 H40A 109.5 . . ?
C33 C40 H40B 109.5 . . ?
C33 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O3 C9 C10 115.6(4) . . ?
N2 C9 O3 125.6(4) . . ?
N2 C9 C10 118.8(4) . . ?
N3 C10 C11 121.6(4) . . ?
N3 C10 C9 114.6(4) . . ?
C11 C10 C9 123.9(4) . . ?
N4 C22 C20 125.2(4) . . ?
N4 C22 H22 117.4 . . ?
C20 C22 H22 117.4 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
F6 C41 C42 112.6(5) . . ?
F5 C41 F6 105.7(4) . . ?
F5 C41 F4 109.2(5) . . ?
F5 C41 C42 112.6(4) . . ?
F4 C41 F6 104.4(5) . . ?
F4 C41 C42 111.9(4) . . ?
C14 C13 H13 120.9 . . ?
C12 C13 C14 118.3(4) . . ?
C12 C13 H13 120.9 . . ?
C4 C3 H3 119.8 . . ?
C4 C3 C2 120.4(5) . . ?
C2 C3 H3 119.8 . . ?
O6 C23 N5 126.3(4) . . ?
O6 C23 C24 116.1(4) . . ?
N5 C23 C24 117.6(4) . . ?
F1 C29 F3 107.8(5) . . ?
F1 C29 F2 106.0(4) . . ?
F1 C29 C30 113.0(4) . . ?
F3 C29 F2 104.5(5) . . ?
F3 C29 C30 112.2(4) . . ?
F2 C29 C30 112.9(5) . . ?
O10 C48 C47 124.8(4) . . ?
O10 C48 C43 128.7(4) . . ?
C43 C48 C47 106.4(4) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N8 C57 H57A 109.5 . . ?
N8 C57 H57B 109.5 . . ?
N8 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C26 C27 H27 120.5 . . ?
C28 C27 C26 118.9(5) . . ?
C28 C27 H27 120.5 . . ?
O2 C7 C6 123.8(4) . . ?
O2 C7 C2 119.2(4) . . ?
C6 C7 C2 117.0(4) . . ?
O7 C30 C31 126.0(4) . . ?
O7 C30 C29 114.4(4) . . ?
C31 C30 C29 119.6(4) . . ?
C45 C44 H44 115.2 . . ?
C45 C44 C49 102.5(4) . . ?
C43 C44 C45 105.5(4) . . ?
C43 C44 H44 115.2 . . ?
C43 C44 C49 101.6(3) . . ?
C49 C44 H44 115.2 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
C42 C43 C48 121.5(4) . . ?
C42 C43 C44 131.8(4) . . ?
C48 C43 C44 105.8(4) . . ?
O1 C2 C3 124.3(5) . . ?
O1 C2 C7 114.4(4) . . ?
C3 C2 C7 121.2(5) . . ?
C37 C36 H36 115.1 . . ?
C31 C36 C37 100.9(3) . . ?
C31 C36 C35 106.4(4) . . ?
C31 C36 H36 115.1 . . ?
C35 C36 C37 102.6(4) . . ?
C35 C36 H36 115.1 . . ?
C35 C34 C33 104.6(4) . . ?
C35 C34 H34A 110.8 . . ?
C35 C34 H34B 110.8 . . ?
C33 C34 H34A 110.8 . . ?
C33 C34 H34B 110.8 . . ?
H34A C34 H34B 108.9 . . ?
O8 C32 C31 128.0(4) . . ?
O8 C32 C33 125.0(4) . . ?
C31 C32 C33 107.0(4) . . ?
C50 C49 C47 113.0(4) . . ?
C50 C49 C44 114.0(4) . . ?
C50 C49 C51 108.8(4) . . ?
C44 C49 C47 93.7(3) . . ?
C51 C49 C47 114.1(4) . . ?
C51 C49 C44 112.7(4) . . ?
C54 N7 C55 117.3(6) . . ?
C53 N7 C54 120.4(5) . . ?
C53 N7 C55 122.3(6) . . ?
N7 C54 H54A 109.5 . . ?
N7 C54 H54B 109.5 . . ?
N7 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N7 C55 H55A 109.5 . . ?
N7 C55 H55B 109.5 . . ?
N7 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O11 C53 N7 126.2(6) . . ?
O11 C53 H53 116.9 . . ?
N7 C53 H53 116.9 . . ?

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
Dy1 O7 C30 C31 -30.5(6) . . . . ?
Dy1 O7 C30 C29 151.8(3) . . . . ?
Dy1 O6 C23 N5 -172.0(3) . . . . ?
Dy1 O6 C23 C24 8.7(6) . . . . ?
Dy1 O8 C32 C31 20.6(7) . . . . ?
Dy1 O8 C32 C33 -159.8(3) . . . . ?
Dy1 O2 C7 C6 -41.7(7) . . . . ?
Dy1 O2 C7 C2 137.4(4) . . . . ?
Dy1 O3 C9 N2 18.4(6) . . . . ?
Dy1 O3 C9 C10 -162.7(3) . . . . ?
Dy1 N6 C24 C25 174.7(4) . . . . ?
Dy1 N6 C24 C23 -4.5(6) . . . . ?
Dy1 N6 C28 C27 -174.6(4) . . . . ?
Dy1 N1 N2 C9 -14.8(5) . . . . ?
Dy1 N1 C8 C6 9.8(8) . . . . ?
Dy2 O6 C23 N5 -19.5(6) . . . . ?
Dy2 O6 C23 C24 161.2(3) . . . . ?
Dy2 O5 C21 C16 -139.3(4) . . . . ?
Dy2 O5 C21 C20 40.5(7) . . . . ?
Dy2 O10 C48 C47 168.0(3) . . . . ?
Dy2 O10 C48 C43 -15.2(8) . . . . ?
Dy2 O9 C42 C41 -154.7(3) . . . . ?
Dy2 O9 C42 C43 27.0(7) . . . . ?
Dy2 O3 C9 N2 171.5(3) . . . . ?
Dy2 O3 C9 C10 -9.6(6) . . . . ?
Dy2 N3 C14 C13 177.3(4) . . . . ?
Dy2 N3 C10 C11 -177.2(4) . . . . ?
Dy2 N3 C10 C9 2.1(6) . . . . ?
Dy2 N4 C22 C20 -7.8(8) . . . . ?
F1 C29 C30 O7 -18.8(7) . . . . ?
F1 C29 C30 C31 163.4(5) . . . . ?
F3 C29 C30 O7 103.3(5) . . . . ?
F3 C29 C30 C31 -74.6(6) . . . . ?
F2 C29 C30 O7 -139.0(4) . . . . ?
F2 C29 C30 C31 43.1(6) . . . . ?
O5 C21 C16 O4 1.8(7) . . . . ?
O5 C21 C16 C17 -178.3(5) . . . . ?
O5 C21 C20 C19 177.6(5) . . . . ?
O5 C21 C20 C22 -1.7(8) . . . . ?
O10 C48 C43 C42 -7.7(8) . . . . ?
O10 C48 C43 C44 -178.0(5) . . . . ?
O2 C7 C2 O1 -2.7(7) . . . . ?
O2 C7 C2 C3 178.0(5) . . . . ?
O9 C42 C41 F6 129.8(5) . . . . ?
O9 C42 C41 F5 10.5(7) . . . . ?
O9 C42 C41 F4 -112.9(5) . . . . ?
O9 C42 C43 C48 2.3(8) . . . . ?
O9 C42 C43 C44 169.7(5) . . . . ?
O3 C9 C10 N3 4.2(6) . . . . ?
O3 C9 C10 C11 -176.6(5) . . . . ?
N5 N4 C22 C20 -178.9(5) . . . . ?
N3 C14 C13 C12 0.5(8) . . . . ?
N6 C24 C23 O6 -2.0(7) . . . . ?
N6 C24 C23 N5 178.7(4) . . . . ?
N6 C28 C27 C26 0.3(9) . . . . ?
N4 N5 C23 O6 3.7(6) . . . . ?
N4 N5 C23 C24 -177.0(4) . . . . ?
N1 N2 C9 O3 -2.1(6) . . . . ?
N1 N2 C9 C10 179.0(4) . . . . ?
N1 C8 C6 C5 -169.2(5) . . . . ?
N1 C8 C6 C7 11.4(8) . . . . ?
N2 N1 C8 C6 -179.3(5) . . . . ?
N2 C9 C10 N3 -176.9(4) . . . . ?
N2 C9 C10 C11 2.4(8) . . . . ?
C37 C33 C34 C35 -32.3(4) . . . . ?
C37 C33 C32 O8 -147.2(4) . . . . ?
C37 C33 C32 C31 32.5(4) . . . . ?
C38 C37 C33 C40 63.9(6) . . . . ?
C38 C37 C33 C34 -65.7(5) . . . . ?
C38 C37 C33 C32 -170.4(4) . . . . ?
C38 C37 C36 C31 172.8(4) . . . . ?
C38 C37 C36 C35 63.1(5) . . . . ?
C47 C46 C45 C44 -2.8(5) . . . . ?
C47 C48 C43 C42 169.6(4) . . . . ?
C47 C48 C43 C44 -0.7(5) . . . . ?
C26 C25 C24 N6 0.1(8) . . . . ?
C26 C25 C24 C23 179.3(5) . . . . ?
C58 N8 C56 O12 -0.9(11) . . . . ?
C15 O4 C16 C17 -3.9(8) . . . . ?
C15 O4 C16 C21 176.0(5) . . . . ?
C19 C20 C22 N4 168.4(5) . . . . ?
C21 C20 C22 N4 -12.3(8) . . . . ?
C11 C12 C13 C14 -0.3(8) . . . . ?
C18 C17 C16 O4 179.5(6) . . . . ?
C18 C17 C16 C21 -0.4(8) . . . . ?
C18 C19 C20 C21 1.8(8) . . . . ?
C18 C19 C20 C22 -178.9(5) . . . . ?
C8 N1 N2 C9 173.4(4) . . . . ?
C8 C6 C7 O2 2.1(8) . . . . ?
C8 C6 C7 C2 -177.0(5) . . . . ?
C14 N3 C10 C11 1.1(8) . . . . ?
C14 N3 C10 C9 -179.7(4) . . . . ?
C25 C26 C27 C28 -0.6(9) . . . . ?
C25 C24 C23 O6 178.8(5) . . . . ?
C25 C24 C23 N5 -0.5(8) . . . . ?
C5 C6 C7 O2 -177.3(5) . . . . ?
C5 C6 C7 C2 3.6(7) . . . . ?
C5 C4 C3 C2 1.6(9) . . . . ?
C24 N6 C28 C27 0.1(8) . . . . ?
C6 C5 C4 C3 -0.8(8) . . . . ?
C6 C7 C2 O1 176.5(4) . . . . ?
C6 C7 C2 C3 -2.8(8) . . . . ?
C28 N6 C24 C25 -0.4(8) . . . . ?
C28 N6 C24 C23 -179.6(5) . . . . ?
C46 C47 C48 O10 108.4(5) . . . . ?
C46 C47 C48 C43 -69.1(5) . . . . ?
C46 C47 C49 C50 171.3(4) . . . . ?
C46 C47 C49 C44 53.2(4) . . . . ?
C46 C47 C49 C51 -63.8(5) . . . . ?
C46 C45 C44 C43 -68.2(4) . . . . ?
C46 C45 C44 C49 37.8(4) . . . . ?
C12 C11 C10 N3 -0.9(8) . . . . ?
C12 C11 C10 C9 179.9(5) . . . . ?
C16 C17 C18 C19 -0.5(9) . . . . ?
C16 C21 C20 C19 -2.6(7) . . . . ?
C16 C21 C20 C22 178.1(5) . . . . ?
C20 C19 C18 C17 -0.2(9) . . . . ?
C20 C21 C16 O4 -178.0(5) . . . . ?
C20 C21 C16 C17 1.9(7) . . . . ?
C33 C37 C36 C31 53.6(4) . . . . ?
C33 C37 C36 C35 -56.2(4) . . . . ?
C4 C5 C6 C8 178.6(5) . . . . ?
C4 C5 C6 C7 -1.9(8) . . . . ?
C4 C3 C2 O1 -179.0(5) . . . . ?
C4 C3 C2 C7 0.2(8) . . . . ?
C45 C44 C43 C42 -96.0(6) . . . . ?
C45 C44 C43 C48 72.9(4) . . . . ?
C45 C44 C49 C47 -56.7(4) . . . . ?
C45 C44 C49 C50 -173.9(4) . . . . ?
C45 C44 C49 C51 61.3(5) . . . . ?
C40 C33 C34 C35 -164.3(4) . . . . ?
C40 C33 C32 O8 -17.7(7) . . . . ?
C40 C33 C32 C31 162.0(4) . . . . ?
C10 N3 C14 C13 -0.9(8) . . . . ?
C10 C11 C12 C13 0.5(8) . . . . ?
C41 C42 C43 C48 -175.9(4) . . . . ?
C41 C42 C43 C44 -8.5(8) . . . . ?
C23 N5 N4 Dy2 13.5(5) . . . . ?
C23 N5 N4 C22 -174.5(4) . . . . ?
C48 C47 C46 C45 70.3(5) . . . . ?
C48 C47 C49 C50 66.4(5) . . . . ?
C48 C47 C49 C44 -51.7(4) . . . . ?
C48 C47 C49 C51 -168.7(4) . . . . ?
C1 O1 C2 C3 3.4(8) . . . . ?
C1 O1 C2 C7 -175.8(5) . . . . ?
C57 N8 C56 O12 173.8(8) . . . . ?
C52 C47 C46 C45 -163.7(5) . . . . ?
C52 C47 C48 O10 -19.1(7) . . . . ?
C52 C47 C48 C43 163.5(5) . . . . ?
C52 C47 C49 C50 -59.3(6) . . . . ?
C52 C47 C49 C44 -177.4(4) . . . . ?
C52 C47 C49 C51 65.7(6) . . . . ?
C39 C37 C33 C40 -60.1(5) . . . . ?
C39 C37 C33 C34 170.3(4) . . . . ?
C39 C37 C33 C32 65.5(4) . . . . ?
C39 C37 C36 C31 -63.6(5) . . . . ?
C39 C37 C36 C35 -173.3(4) . . . . ?
C27 C26 C25 C24 0.4(8) . . . . ?
C30 C31 C36 C37 135.1(5) . . . . ?
C30 C31 C36 C35 -118.2(6) . . . . ?
C30 C31 C32 O8 9.3(7) . . . . ?
C30 C31 C32 C33 -170.4(4) . . . . ?
C43 C42 C41 F6 -51.8(6) . . . . ?
C43 C42 C41 F5 -171.1(5) . . . . ?
C43 C42 C41 F4 65.5(7) . . . . ?
C43 C44 C49 C47 52.3(4) . . . . ?
C43 C44 C49 C50 -65.0(5) . . . . ?
C43 C44 C49 C51 170.3(4) . . . . ?
C36 C37 C33 C40 -177.2(4) . . . . ?
C36 C37 C33 C34 53.1(4) . . . . ?
C36 C37 C33 C32 -51.6(4) . . . . ?
C36 C31 C30 O7 -174.6(4) . . . . ?
C36 C31 C30 C29 3.0(8) . . . . ?
C36 C31 C32 O8 -178.4(4) . . . . ?
C36 C31 C32 C33 1.9(5) . . . . ?
C36 C35 C34 C33 -2.8(4) . . . . ?
C34 C35 C36 C37 37.4(4) . . . . ?
C34 C35 C36 C31 -68.1(4) . . . . ?
C34 C33 C32 O8 108.7(5) . . . . ?
C34 C33 C32 C31 -71.6(4) . . . . ?
C32 C31 C30 O7 -4.7(7) . . . . ?
C32 C31 C30 C29 172.9(4) . . . . ?
C32 C31 C36 C37 -36.0(4) . . . . ?
C32 C31 C36 C35 70.7(4) . . . . ?
C32 C33 C34 C35 70.7(4) . . . . ?
C49 C47 C46 C45 -32.5(4) . . . . ?
C49 C47 C48 O10 -148.1(5) . . . . ?
C49 C47 C48 C43 34.5(5) . . . . ?
C49 C44 C43 C42 157.4(5) . . . . ?
C49 C44 C43 C48 -33.7(5) . . . . ?
C54 N7 C53 O11 1.2(10) . . . . ?
C55 N7 C53 O11 -176.9(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.763
_oxdiff_exptl_absorpt_empirical_full_min 0.559
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_l4
_database_code_depnum_ccdc_archive 'CCDC 2308023'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-11-15 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2023-11-14
_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         'C56 H54 Dy2 F14 N6 O12, 2(C3 H7 N O)'
_chemical_formula_sum            'C63 H67 Dy2 F15 N8 O12'
_chemical_formula_weight         1738.24
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFDy
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'
Dy Dy -0.1892 4.4098 '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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   18.0064(4)
_cell_length_b                   10.5352(2)
_cell_length_c                   18.9592(4)
_cell_angle_alpha                90
_cell_angle_beta                 108.460(2)
_cell_angle_gamma                90
_cell_volume                     3411.52(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    32754
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      30.9690
_cell_measurement_theta_min      1.8590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.280
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48560
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0349
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.882
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            55637
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.833
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.942
_diffrn_reflns_theta_min         1.887
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00 -12.00   0.50    3.50    --    5.00  45.00 150.00   52
  2  ω     15.00  63.00   0.50    3.50    --    5.00  45.00  90.00   96
  3  ω     61.00  94.00   0.50    3.50    --    5.00  45.00 102.21   66
  4  ω     -6.00  23.00   0.50    3.50    --    5.00  45.00 102.21   58
  5  ω    -18.00   8.00   0.50    3.50    --    5.00  45.00 127.32   52
  6  ω    -85.00  77.00   0.50    3.50    --  -11.50  45.00 -19.20  324
  7  ω    -52.00  72.00   0.50    3.50    --  -11.50  45.00  90.00  248
  8  ω     40.00  67.00   0.50    3.50    --  -11.50  45.00 148.91   54
  9  ω    -85.00   1.00   0.50    3.50    --  -11.50  45.00 148.91  172
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0255201000
_diffrn_orient_matrix_UB_12      -0.0261052000
_diffrn_orient_matrix_UB_13      0.0180335000
_diffrn_orient_matrix_UB_21      0.0112046000
_diffrn_orient_matrix_UB_22      0.0482275000
_diffrn_orient_matrix_UB_23      0.0274864000
_diffrn_orient_matrix_UB_31      -0.0307829000
_diffrn_orient_matrix_UB_32      0.0390718000
_diffrn_orient_matrix_UB_33      -0.0217832000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.800
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.779
_reflns_number_gt                16258
_reflns_number_total             18029
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.232
_refine_diff_density_min         -0.899
_refine_diff_density_rms         0.111
_refine_ls_abs_structure_details 
;
 Flack x determined using 6723 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.010(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     915
_refine_ls_number_reflns         18029
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0367
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0575P)²+2.3991P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0945
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
2.b Ternary CH refined with riding coordinates:
 C33(H33), C47(H47)
2.c Secondary CH2 refined with riding coordinates:
 C31(H31A,H31B), C32(H32A,H32B), C45(H45A,H45B), C46(H46A,H46B)
2.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C14(H14),
 C17(H17), C18(H18), C19(H19), C22(H22), C25(H25), C26(H26), C27(H27), C28(H28),
  C60(H60), C57(H57)
2.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C15(H15A,H15B,H15C), C36(H36A,H36B,H36C), C37(H37A,H37B,
 H37C), C38(H38A,H38B,H38C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C52(H52A,
 H52B,H52C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C58(H58A,H58B,H58C),
 C59(H59A,H59B,H59C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.85609(2) 0.44045(2) 0.26126(2) 0.02075(8) Uani 1 1 d . . . . .
Dy2 Dy 0.64176(2) 0.54454(2) 0.24252(2) 0.02126(8) Uani 1 1 d . . . . .
F34 F 0.7558(5) 0.7064(12) -0.1327(3) 0.132(4) Uani 1 1 d . . . . .
F35 F 0.7171(4) 0.8753(9) -0.0904(4) 0.123(3) Uani 1 1 d . . . . .
F36 F 0.6579(3) 0.7006(10) -0.0929(4) 0.102(3) Uani 1 1 d . . . . .
F37 F 0.8496(3) 0.7779(7) 0.0019(3) 0.075(2) Uani 1 1 d . . . . .
F38 F 0.7519(3) 0.7791(6) 0.0434(3) 0.0625(14) Uani 1 1 d . . . . .
F39 F 0.7257(3) 0.5275(6) 0.0127(2) 0.0522(12) Uani 1 1 d . . . . .
F40 F 0.8230(3) 0.5204(6) -0.0327(2) 0.0550(15) Uani 1 1 d . . . . .
F60 F 0.8223(5) 0.2460(11) 0.5925(4) 0.113(3) Uani 1 1 d . . . . .
F61 F 0.8069(5) 0.4112(7) 0.6497(3) 0.115(3) Uani 1 1 d . . . . .
F62 F 0.7246(3) 0.2635(7) 0.6293(3) 0.0738(18) Uani 1 1 d . . . . .
F63 F 0.7758(4) 0.4617(7) 0.5063(3) 0.089(2) Uani 1 1 d . . . . .
F64 F 0.6711(4) 0.4644(6) 0.5402(3) 0.0747(19) Uani 1 1 d . . . . .
F65 F 0.6431(2) 0.2159(4) 0.4877(2) 0.0381(9) Uani 1 1 d . . . . .
F66 F 0.7413(3) 0.2317(5) 0.4469(2) 0.0457(11) Uani 1 1 d . . . . .
O1 O 1.0996(3) 0.2760(7) 0.3628(3) 0.0471(14) Uani 1 1 d . . . . .
O1W O 0.8231(3) 0.3214(5) 0.3529(2) 0.0263(10) Uani 1 1 d . . . . .
H1WA H 0.813990 0.243993 0.338680 0.039 Uiso 1 1 d R U . . .
H1WB H 0.779419 0.347905 0.356347 0.039 Uiso 1 1 d R U . . .
O2 O 0.9483(3) 0.2950(5) 0.2987(2) 0.0297(11) Uani 1 1 d . . . . .
O2W O 0.6775(3) 0.6603(5) 0.1509(2) 0.0312(11) Uani 1 1 d . . . . .
H2WA H 0.669997 0.739051 0.155892 0.047 Uiso 1 1 d R U . . .
H2WB H 0.726613 0.653930 0.159013 0.047 Uiso 1 1 d R U . . .
O3 O 0.7208(2) 0.3983(4) 0.2059(2) 0.0220(9) Uani 1 1 d . . . . .
O4 O 0.4029(3) 0.7247(7) 0.1360(3) 0.0503(15) Uani 1 1 d . . . . .
O5 O 0.5535(3) 0.6958(5) 0.2045(2) 0.0304(11) Uani 1 1 d . . . . .
O7 O 0.9706(3) 0.5298(6) 0.2425(2) 0.0322(11) Uani 1 1 d . . . . .
O8 O 0.8181(3) 0.5529(6) 0.1478(2) 0.0278(10) Uani 1 1 d . . . . .
O9 O 0.5230(3) 0.4683(5) 0.2565(2) 0.0281(11) Uani 1 1 d . . . . .
O10 O 0.6740(3) 0.4124(5) 0.3512(2) 0.0243(11) Uani 1 1 d . . . . .
O12 O 0.6528(4) 0.9125(5) 0.1430(3) 0.0521(15) Uani 1 1 d . . . . .
O6 O 0.7771(3) 0.5795(4) 0.3012(2) 0.0237(10) Uani 1 1 d . . . . .
N1 N 0.5733(3) 0.4197(6) 0.1267(3) 0.0256(13) Uani 1 1 d . . . . .
N2 N 0.7447(3) 0.2593(6) 0.1211(3) 0.0258(12) Uani 1 1 d . . . . .
N3 N 0.8226(3) 0.2684(6) 0.1682(3) 0.0246(12) Uani 1 1 d . . . . .
N4 N 0.9263(3) 0.5685(6) 0.3768(3) 0.0272(14) Uani 1 1 d . . . . .
N5 N 0.7540(3) 0.7255(6) 0.3840(3) 0.0306(13) Uani 1 1 d . . . . .
N6 N 0.6765(3) 0.7148(6) 0.3368(3) 0.0272(13) Uani 1 1 d . . . . .
N8 N 0.5976(4) 1.0550(8) 0.2013(3) 0.0382(14) Uani 1 1 d . . . . .
C1 C 1.1824(5) 0.2775(12) 0.3946(6) 0.062(3) Uani 1 1 d . . . . .
H1A H 1.205961 0.306602 0.357403 0.093 Uiso 1 1 calc R U . . .
H1B H 1.201070 0.191715 0.410977 0.093 Uiso 1 1 calc R U . . .
H1C H 1.197236 0.335208 0.437305 0.093 Uiso 1 1 calc R U . . .
C2 C 1.0704(4) 0.2200(8) 0.2946(4) 0.0380(16) Uani 1 1 d . . . . .
C3 C 1.1138(5) 0.1571(8) 0.2584(5) 0.0426(18) Uani 1 1 d . . . . .
H3 H 1.168806 0.150150 0.280936 0.051 Uiso 1 1 calc R U . . .
C4 C 1.0783(5) 0.1027(8) 0.1885(5) 0.044(2) Uani 1 1 d . . . . .
H4 H 1.109053 0.057361 0.164516 0.053 Uiso 1 1 calc R U . . .
C5 C 0.9987(5) 0.1149(7) 0.1545(5) 0.0385(17) Uani 1 1 d . . . . .
H5 H 0.974753 0.078125 0.106945 0.046 Uiso 1 1 calc R U . . .
C6 C 0.9527(4) 0.1820(7) 0.1903(4) 0.0302(15) Uani 1 1 d . . . . .
C7 C 0.9873(4) 0.2357(7) 0.2621(4) 0.0302(14) Uani 1 1 d . . . . .
C8 C 0.8705(4) 0.1920(7) 0.1513(4) 0.0299(15) Uani 1 1 d . . . . .
H8 H 0.849544 0.138068 0.109560 0.036 Uiso 1 1 calc R U . . .
C9 C 0.6996(4) 0.3302(7) 0.1455(3) 0.0232(13) Uani 1 1 d . . . . .
C10 C 0.6145(4) 0.3383(7) 0.1004(3) 0.0255(13) Uani 1 1 d . . . . .
C11 C 0.5822(4) 0.2682(8) 0.0360(4) 0.0356(17) Uani 1 1 d . . . . .
H11 H 0.612784 0.208388 0.019766 0.043 Uiso 1 1 calc R U . . .
C12 C 0.5043(6) 0.2879(11) -0.0040(5) 0.0437(19) Uani 1 1 d . . . . .
H12 H 0.481111 0.244028 -0.049444 0.052 Uiso 1 1 calc R U . . .
C13 C 0.4613(5) 0.3700(9) 0.0220(4) 0.0415(19) Uani 1 1 d . . . . .
H13 H 0.407241 0.382063 -0.003993 0.050 Uiso 1 1 calc R U . . .
C14 C 0.4978(4) 0.4376(10) 0.0884(3) 0.0323(14) Uani 1 1 d . . . . .
H14 H 0.468151 0.496924 0.106112 0.039 Uiso 1 1 calc R U . . .
C15 C 0.3204(5) 0.7333(14) 0.1000(6) 0.074(4) Uani 1 1 d . . . . .
H15A H 0.305810 0.681469 0.054749 0.111 Uiso 1 1 calc R U . . .
H15B H 0.306064 0.822005 0.086864 0.111 Uiso 1 1 calc R U . . .
H15C H 0.292796 0.702519 0.133605 0.111 Uiso 1 1 calc R U . . .
C16 C 0.4327(4) 0.7831(8) 0.2036(4) 0.0369(17) Uani 1 1 d . . . . .
C17 C 0.3894(5) 0.8561(8) 0.2378(6) 0.048(2) Uani 1 1 d . . . . .
H17 H 0.335057 0.869699 0.213692 0.058 Uiso 1 1 calc R U . . .
C18 C 0.4260(5) 0.9094(8) 0.3078(5) 0.047(2) Uani 1 1 d . . . . .
H18 H 0.396699 0.959613 0.331183 0.056 Uiso 1 1 calc R U . . .
C19 C 0.5028(5) 0.8896(8) 0.3421(5) 0.0427(19) Uani 1 1 d . . . . .
H19 H 0.527151 0.928202 0.389027 0.051 Uiso 1 1 calc R U . . .
C20 C 0.5480(4) 0.8135(7) 0.3105(4) 0.0341(16) Uani 1 1 d . . . . .
C21 C 0.5140(4) 0.7603(7) 0.2387(4) 0.0326(16) Uani 1 1 d . . . . .
C22 C 0.6304(4) 0.7978(7) 0.3524(4) 0.0314(16) Uani 1 1 d . . . . .
H22 H 0.652095 0.851618 0.394085 0.038 Uiso 1 1 calc R U . . .
C23 C 0.7994(4) 0.6516(7) 0.3609(3) 0.0231(13) Uani 1 1 d . . . . .
C24 C 0.8841(4) 0.6498(7) 0.4029(3) 0.0272(14) Uani 1 1 d . . . . .
C25 C 0.9183(5) 0.7268(9) 0.4650(4) 0.0387(18) Uani 1 1 d . . . . .
H25 H 0.887637 0.785870 0.481661 0.046 Uiso 1 1 calc R U . . .
C26 C 0.9972(7) 0.7149(9) 0.5014(5) 0.047(2) Uani 1 1 d . . . . .
H26 H 1.022023 0.765107 0.543934 0.056 Uiso 1 1 calc R U . . .
C27 C 1.0403(5) 0.6276(9) 0.4744(4) 0.0406(18) Uani 1 1 d . . . . .
H27 H 1.094743 0.617145 0.499111 0.049 Uiso 1 1 calc R U . . .
C28 C 1.0040(4) 0.5579(9) 0.4132(3) 0.0335(16) Uani 1 1 d . . . . .
H28 H 1.034094 0.499771 0.395100 0.040 Uiso 1 1 calc R U . . .
C29 C 0.9856(4) 0.5477(8) 0.1842(3) 0.0243(11) Uani 1 1 d . . . . .
C30 C 1.0675(4) 0.5598(8) 0.1773(3) 0.0295(14) Uani 1 1 d . . . . .
C31 C 1.0772(4) 0.4352(7) 0.1403(4) 0.0423(16) Uani 1 1 d . . . . .
H31A H 1.062138 0.362380 0.165774 0.051 Uiso 1 1 calc R U . . .
H31B H 1.132188 0.423886 0.141464 0.051 Uiso 1 1 calc R U . . .
C32 C 1.0223(5) 0.4459(8) 0.0594(4) 0.0472(18) Uani 1 1 d . . . . .
H32A H 1.052200 0.445627 0.023661 0.057 Uiso 1 1 calc R U . . .
H32B H 0.983600 0.375964 0.046987 0.057 Uiso 1 1 calc R U . . .
C33 C 0.9827(4) 0.5745(7) 0.0602(3) 0.0341(14) Uani 1 1 d . . . . .
H33 H 0.956183 0.612149 0.010111 0.041 Uiso 1 1 calc R U . . .
C34 C 0.9310(4) 0.5599(6) 0.1097(3) 0.0289(13) Uani 1 1 d . . . . .
C35 C 1.0503(4) 0.6539(6) 0.1110(4) 0.0324(13) Uani 1 1 d . . . . .
C36 C 1.1193(4) 0.6699(8) 0.0804(4) 0.0460(17) Uani 1 1 d . . . . .
H36A H 1.162636 0.712521 0.117622 0.069 Uiso 1 1 calc R U . . .
H36B H 1.102591 0.721049 0.034940 0.069 Uiso 1 1 calc R U . . .
H36C H 1.136542 0.586235 0.069180 0.069 Uiso 1 1 calc R U . . .
C37 C 1.0270(5) 0.7847(7) 0.1301(4) 0.0376(16) Uani 1 1 d . . . . .
H37A H 0.980336 0.777613 0.145939 0.056 Uiso 1 1 calc R U . . .
H37B H 1.015505 0.839567 0.086260 0.056 Uiso 1 1 calc R U . . .
H37C H 1.070047 0.821234 0.170536 0.056 Uiso 1 1 calc R U . . .
C38 C 1.1304(4) 0.5888(10) 0.2494(4) 0.050(2) Uani 1 1 d . . . . .
H38A H 1.116713 0.666203 0.271099 0.074 Uiso 1 1 calc R U . . .
H38B H 1.180404 0.601074 0.240023 0.074 Uiso 1 1 calc R U . . .
H38C H 1.135029 0.517816 0.283941 0.074 Uiso 1 1 calc R U . . .
C39 C 0.8530(4) 0.5615(6) 0.0977(3) 0.0273(12) Uani 1 1 d . . . . .
C40 C 0.7963(4) 0.5805(8) 0.0189(4) 0.0389(15) Uani 1 1 d . . . . .
C41 C 0.7816(4) 0.7216(9) -0.0038(4) 0.053(2) Uani 1 1 d . . . . .
C42 C 0.7268(6) 0.7489(14) -0.0829(6) 0.077(3) Uani 1 1 d . . . . .
C43 C 0.5052(4) 0.4297(8) 0.3112(3) 0.0266(13) Uani 1 1 d . . . . .
C44 C 0.4222(4) 0.4176(7) 0.3142(4) 0.0273(14) Uani 1 1 d . . . . .
C45 C 0.4088(4) 0.2716(6) 0.3112(4) 0.0392(15) Uani 1 1 d . . . . .
H45A H 0.353001 0.251451 0.303084 0.047 Uiso 1 1 calc R U . . .
H45B H 0.424921 0.232815 0.270727 0.047 Uiso 1 1 calc R U . . .
C46 C 0.4603(4) 0.2236(7) 0.3875(4) 0.0383(16) Uani 1 1 d . . . . .
H46A H 0.498102 0.158844 0.382289 0.046 Uiso 1 1 calc R U . . .
H46B H 0.428143 0.187146 0.416245 0.046 Uiso 1 1 calc R U . . .
C47 C 0.5027(3) 0.3460(6) 0.4245(3) 0.0287(12) Uani 1 1 d . . . . .
H47 H 0.528098 0.341030 0.479620 0.034 Uiso 1 1 calc R U . . .
C48 C 0.5564(4) 0.3823(6) 0.3807(3) 0.0258(12) Uani 1 1 d . . . . .
C49 C 0.4370(3) 0.4476(7) 0.3976(3) 0.0318(12) Uani 1 1 d . . . . .
C50 C 0.4665(4) 0.5829(7) 0.4201(4) 0.0402(18) Uani 1 1 d . . . . .
H50A H 0.424141 0.643503 0.398290 0.060 Uiso 1 1 calc R U . . .
H50B H 0.510632 0.601263 0.401878 0.060 Uiso 1 1 calc R U . . .
H50C H 0.483634 0.590517 0.474367 0.060 Uiso 1 1 calc R U . . .
C51 C 0.3668(4) 0.4243(8) 0.4248(4) 0.0454(17) Uani 1 1 d . . . . .
H51A H 0.382511 0.436560 0.478719 0.068 Uiso 1 1 calc R U . . .
H51B H 0.347910 0.337178 0.412604 0.068 Uiso 1 1 calc R U . . .
H51C H 0.324829 0.484086 0.400322 0.068 Uiso 1 1 calc R U . . .
C52 C 0.3618(4) 0.4949(8) 0.2577(4) 0.0412(17) Uani 1 1 d . . . . .
H52A H 0.369928 0.585097 0.270293 0.062 Uiso 1 1 calc R U . . .
H52B H 0.309431 0.469512 0.257526 0.062 Uiso 1 1 calc R U . . .
H52C H 0.366757 0.480358 0.208271 0.062 Uiso 1 1 calc R U . . .
C53 C 0.6347(4) 0.3698(6) 0.3933(3) 0.0246(12) Uani 1 1 d . . . . .
C54 C 0.6855(4) 0.3022(6) 0.4631(3) 0.0305(13) Uani 1 1 d . . . . .
C55 C 0.7256(5) 0.3900(8) 0.5267(4) 0.0483(18) Uani 1 1 d . . . . .
C56 C 0.7702(5) 0.3283(10) 0.6008(4) 0.0517(19) Uani 1 1 d . . . . .
C60 C 0.6569(5) 0.9849(8) 0.1929(5) 0.052(2) Uani 1 1 d . . . . .
H60 H 0.706450 0.993545 0.229998 0.063 Uiso 1 1 calc R U . . .
C61 C 0.6164(7) 1.1373(11) 0.2663(5) 0.072(3) Uani 1 1 d . . . . .
H61A H 0.670919 1.123767 0.296837 0.107 Uiso 1 1 calc R U . . .
H61B H 0.581719 1.117308 0.295597 0.107 Uiso 1 1 calc R U . . .
H61C H 0.609016 1.226118 0.250286 0.107 Uiso 1 1 calc R U . . .
C62 C 0.5214(5) 1.0484(11) 0.1538(6) 0.070(3) Uani 1 1 d . . . . .
H62A H 0.521700 1.044723 0.102249 0.105 Uiso 1 1 calc R U . . .
H62B H 0.492431 1.123704 0.160556 0.105 Uiso 1 1 calc R U . . .
H62C H 0.496127 0.972037 0.165006 0.105 Uiso 1 1 calc R U . . .
O11 O 0.8311(4) 0.0662(6) 0.3288(4) 0.0573(16) Uani 1 1 d . . . . .
N7 N 0.9135(4) -0.0714(8) 0.3001(3) 0.0435(15) Uani 1 1 d . . . . .
C57 C 0.8956(5) 0.0234(6) 0.3384(4) 0.0432(16) Uani 1 1 d . . . . .
H57 H 0.937452 0.060574 0.376713 0.052 Uiso 1 1 calc R U . . .
C58 C 0.9950(5) -0.1104(9) 0.3170(5) 0.056(2) Uani 1 1 d . . . . .
H58A H 1.028564 -0.054106 0.354979 0.083 Uiso 1 1 calc R U . . .
H58B H 1.010233 -0.105499 0.271770 0.083 Uiso 1 1 calc R U . . .
H58C H 1.001098 -0.197927 0.335502 0.083 Uiso 1 1 calc R U . . .
C59 C 0.8564(6) -0.1309(10) 0.2386(6) 0.071(3) Uani 1 1 d . . . . .
H59A H 0.805872 -0.133148 0.247845 0.106 Uiso 1 1 calc R U . . .
H59B H 0.873142 -0.217661 0.232763 0.106 Uiso 1 1 calc R U . . .
H59C H 0.851163 -0.082467 0.193149 0.106 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.9185(3) . ?
Dy1 O1W 2.365(4) . ?
Dy1 O2 2.205(5) . ?
Dy1 O3 2.369(4) . ?
Dy1 O7 2.394(4) . ?
Dy1 O8 2.360(5) . ?
Dy1 O6 2.329(4) . ?
Dy1 N3 2.467(6) . ?
Dy1 N4 2.542(5) . ?
Dy2 O2W 2.373(4) . ?
Dy2 O3 2.346(4) . ?
Dy2 O5 2.204(5) . ?
Dy2 O9 2.377(4) . ?
Dy2 O10 2.401(4) . ?
Dy2 O6 2.365(4) . ?
Dy2 N1 2.521(5) . ?
Dy2 N6 2.469(6) . ?
F34 C42 1.296(14) . ?
F35 C42 1.345(16) . ?
F36 C42 1.297(13) . ?
F37 C41 1.334(9) . ?
F38 C41 1.326(11) . ?
F39 C40 1.359(8) . ?
F40 C40 1.373(8) . ?
F60 C56 1.323(12) . ?
F61 C56 1.293(11) . ?
F62 C56 1.309(10) . ?
F63 C55 1.326(10) . ?
F64 C55 1.343(10) . ?
F65 C54 1.360(7) . ?
F66 C54 1.360(7) . ?
O1 C1 1.419(10) . ?
O1 C2 1.365(10) . ?
O1W H1WA 0.8581 . ?
O1W H1WB 0.8574 . ?
O2 C7 1.293(8) . ?
O2W H2WA 0.8506 . ?
O2W H2WB 0.8504 . ?
O3 C9 1.303(7) . ?
O4 C15 1.428(11) . ?
O4 C16 1.370(10) . ?
O5 C21 1.297(8) . ?
O7 C29 1.231(7) . ?
O8 C39 1.297(7) . ?
O9 C43 1.247(7) . ?
O10 C53 1.301(7) . ?
O12 C60 1.199(10) . ?
O6 C23 1.316(7) . ?
N1 C10 1.330(9) . ?
N1 C14 1.336(8) . ?
N2 N3 1.408(8) . ?
N2 C9 1.293(8) . ?
N3 C8 1.292(9) . ?
N4 C24 1.339(9) . ?
N4 C28 1.355(9) . ?
N5 N6 1.404(8) . ?
N5 C23 1.301(8) . ?
N6 C22 1.303(9) . ?
N8 C60 1.348(11) . ?
N8 C61 1.456(11) . ?
N8 C62 1.384(10) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.364(10) . ?
C2 C7 1.436(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.398(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.378(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.415(9) . ?
C6 C7 1.423(10) . ?
C6 C8 1.433(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.501(9) . ?
C10 C11 1.388(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.354(13) . ?
C13 H13 0.9500 . ?
C13 C14 1.414(11) . ?
C14 H14 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.394(11) . ?
C16 C21 1.423(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.399(13) . ?
C18 H18 0.9500 . ?
C18 C19 1.344(12) . ?
C19 H19 0.9500 . ?
C19 C20 1.405(10) . ?
C20 C21 1.420(11) . ?
C20 C22 1.454(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.480(9) . ?
C24 C25 1.403(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.373(14) . ?
C26 H26 0.9500 . ?
C26 C27 1.400(13) . ?
C27 H27 0.9500 . ?
C27 C28 1.354(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.527(8) . ?
C29 C34 1.450(8) . ?
C30 C31 1.525(10) . ?
C30 C35 1.553(9) . ?
C30 C38 1.504(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.542(11) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.535(11) . ?
C33 H33 1.0000 . ?
C33 C34 1.523(8) . ?
C33 C35 1.539(10) . ?
C34 C39 1.350(9) . ?
C35 C36 1.537(9) . ?
C35 C37 1.517(10) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.533(9) . ?
C40 C41 1.547(12) . ?
C41 C42 1.539(11) . ?
C43 C44 1.517(8) . ?
C43 C48 1.438(9) . ?
C44 C45 1.556(10) . ?
C44 C49 1.551(9) . ?
C44 C52 1.502(10) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.536(10) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.549(10) . ?
C47 H47 1.0000 . ?
C47 C48 1.511(8) . ?
C47 C49 1.556(9) . ?
C48 C53 1.360(9) . ?
C49 C50 1.534(10) . ?
C49 C51 1.529(8) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.526(8) . ?
C54 C55 1.511(10) . ?
C55 C56 1.525(10) . ?
C60 H60 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
O11 C57 1.204(9) . ?
N7 C57 1.334(10) . ?
N7 C58 1.460(10) . ?
N7 C59 1.431(11) . ?
C57 H57 0.9500 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1W Dy1 Dy2 75.30(11) . . ?
O1W Dy1 O3 76.35(14) . . ?
O1W Dy1 O7 138.24(16) . . ?
O1W Dy1 N3 94.25(17) . . ?
O1W Dy1 N4 79.67(17) . . ?
O2 Dy1 Dy2 147.50(12) . . ?
O2 Dy1 O1W 74.55(16) . . ?
O2 Dy1 O3 125.20(17) . . ?
O2 Dy1 O7 74.01(19) . . ?
O2 Dy1 O8 127.86(16) . . ?
O2 Dy1 O6 143.87(15) . . ?
O2 Dy1 N3 73.04(18) . . ?
O2 Dy1 N4 88.44(19) . . ?
O3 Dy1 Dy2 33.62(10) . . ?
O3 Dy1 O7 145.20(15) . . ?
O3 Dy1 N3 64.01(16) . . ?
O3 Dy1 N4 129.95(15) . . ?
O7 Dy1 Dy2 138.29(14) . . ?
O7 Dy1 N3 102.08(18) . . ?
O7 Dy1 N4 72.70(16) . . ?
O8 Dy1 Dy2 77.52(11) . . ?
O8 Dy1 O1W 150.23(15) . . ?
O8 Dy1 O3 74.32(15) . . ?
O8 Dy1 O7 71.43(16) . . ?
O8 Dy1 N3 77.4(2) . . ?
O8 Dy1 N4 116.1(2) . . ?
O6 Dy1 Dy2 33.70(11) . . ?
O6 Dy1 O1W 76.94(15) . . ?
O6 Dy1 O3 67.26(13) . . ?
O6 Dy1 O7 116.40(17) . . ?
O6 Dy1 O8 87.12(16) . . ?
O6 Dy1 N3 131.18(17) . . ?
O6 Dy1 N4 64.83(17) . . ?
N3 Dy1 Dy2 97.49(13) . . ?
N3 Dy1 N4 161.46(19) . . ?
N4 Dy1 Dy2 97.85(13) . . ?
O2W Dy2 Dy1 73.88(12) . . ?
O2W Dy2 O9 135.87(16) . . ?
O2W Dy2 O10 151.48(16) . . ?
O2W Dy2 N1 78.55(18) . . ?
O2W Dy2 N6 95.22(18) . . ?
O3 Dy2 Dy1 33.99(10) . . ?
O3 Dy2 O2W 77.90(16) . . ?
O3 Dy2 O9 117.55(15) . . ?
O3 Dy2 O10 82.45(15) . . ?
O3 Dy2 O6 67.05(13) . . ?
O3 Dy2 N1 64.85(16) . . ?
O3 Dy2 N6 130.73(17) . . ?
O5 Dy2 Dy1 145.01(12) . . ?
O5 Dy2 O2W 73.95(17) . . ?
O5 Dy2 O3 145.07(15) . . ?
O5 Dy2 O9 72.54(17) . . ?
O5 Dy2 O10 130.79(16) . . ?
O5 Dy2 O6 124.74(17) . . ?
O5 Dy2 N1 89.38(19) . . ?
O5 Dy2 N6 72.71(19) . . ?
O9 Dy2 Dy1 142.23(12) . . ?
O9 Dy2 O10 71.94(16) . . ?
O9 Dy2 N1 73.25(16) . . ?
O9 Dy2 N6 101.31(17) . . ?
O10 Dy2 Dy1 78.25(11) . . ?
O10 Dy2 N1 111.34(19) . . ?
O10 Dy2 N6 82.13(18) . . ?
O6 Dy2 Dy1 33.12(10) . . ?
O6 Dy2 O2W 77.64(15) . . ?
O6 Dy2 O9 146.09(14) . . ?
O6 Dy2 O10 75.74(15) . . ?
O6 Dy2 N1 129.59(15) . . ?
O6 Dy2 N6 63.84(17) . . ?
N1 Dy2 Dy1 97.39(12) . . ?
N6 Dy2 Dy1 96.95(14) . . ?
N6 Dy2 N1 162.08(19) . . ?
C2 O1 C1 116.5(7) . . ?
Dy1 O1W H1WA 110.0 . . ?
Dy1 O1W H1WB 109.5 . . ?
H1WA O1W H1WB 104.1 . . ?
C7 O2 Dy1 130.1(4) . . ?
Dy2 O2W H2WA 109.3 . . ?
Dy2 O2W H2WB 109.5 . . ?
H2WA O2W H2WB 104.5 . . ?
Dy2 O3 Dy1 112.40(17) . . ?
C9 O3 Dy1 117.9(4) . . ?
C9 O3 Dy2 125.8(4) . . ?
C16 O4 C15 117.3(7) . . ?
C21 O5 Dy2 131.9(4) . . ?
C29 O7 Dy1 129.6(4) . . ?
C39 O8 Dy1 129.4(4) . . ?
C43 O9 Dy2 132.9(4) . . ?
C53 O10 Dy2 134.0(4) . . ?
Dy1 O6 Dy2 113.19(17) . . ?
C23 O6 Dy1 126.2(4) . . ?
C23 O6 Dy2 118.9(4) . . ?
C10 N1 Dy2 119.1(4) . . ?
C10 N1 C14 118.7(6) . . ?
C14 N1 Dy2 122.1(5) . . ?
C9 N2 N3 110.3(5) . . ?
N2 N3 Dy1 118.2(4) . . ?
C8 N3 Dy1 127.2(5) . . ?
C8 N3 N2 114.2(6) . . ?
C24 N4 Dy1 118.2(4) . . ?
C24 N4 C28 118.7(6) . . ?
C28 N4 Dy1 123.1(5) . . ?
C23 N5 N6 109.9(5) . . ?
N5 N6 Dy2 119.5(4) . . ?
C22 N6 Dy2 128.2(5) . . ?
C22 N6 N5 112.2(6) . . ?
C60 N8 C61 116.5(8) . . ?
C60 N8 C62 123.7(8) . . ?
C62 N8 C61 119.8(9) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 125.1(7) . . ?
O1 C2 C7 113.2(6) . . ?
C3 C2 C7 121.7(8) . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.9(8) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.1(7) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.1(8) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C7 120.8(7) . . ?
C5 C6 C8 117.1(7) . . ?
C7 C6 C8 122.1(6) . . ?
O2 C7 C2 119.6(7) . . ?
O2 C7 C6 124.0(6) . . ?
C6 C7 C2 116.4(6) . . ?
N3 C8 C6 125.4(7) . . ?
N3 C8 H8 117.3 . . ?
C6 C8 H8 117.3 . . ?
O3 C9 C10 115.6(6) . . ?
N2 C9 O3 126.2(6) . . ?
N2 C9 C10 118.2(6) . . ?
N1 C10 C9 114.4(5) . . ?
N1 C10 C11 123.0(6) . . ?
C11 C10 C9 122.6(6) . . ?
C10 C11 H11 120.9 . . ?
C12 C11 C10 118.2(7) . . ?
C12 C11 H11 120.9 . . ?
C11 C12 H12 120.2 . . ?
C13 C12 C11 119.6(8) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.2(8) . . ?
C14 C13 H13 120.4 . . ?
N1 C14 C13 121.3(8) . . ?
N1 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
O4 C15 H15A 109.5 . . ?
O4 C15 H15B 109.5 . . ?
O4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C16 C17 124.9(7) . . ?
O4 C16 C21 113.7(7) . . ?
C17 C16 C21 121.4(8) . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.8(7) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0(7) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 119.0 . . ?
C18 C19 C20 121.9(8) . . ?
C20 C19 H19 119.0 . . ?
C19 C20 C21 120.1(7) . . ?
C19 C20 C22 117.5(7) . . ?
C21 C20 C22 122.4(6) . . ?
O5 C21 C16 120.1(7) . . ?
O5 C21 C20 123.2(7) . . ?
C20 C21 C16 116.7(7) . . ?
N6 C22 C20 124.4(7) . . ?
N6 C22 H22 117.8 . . ?
C20 C22 H22 117.8 . . ?
O6 C23 C24 116.0(5) . . ?
N5 C23 O6 125.5(6) . . ?
N5 C23 C24 118.5(6) . . ?
N4 C24 C23 114.7(6) . . ?
N4 C24 C25 122.0(6) . . ?
C25 C24 C23 123.2(6) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 C24 118.6(8) . . ?
C26 C25 H25 120.7 . . ?
C25 C26 H26 120.6 . . ?
C25 C26 C27 118.8(8) . . ?
C27 C26 H26 120.6 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.8(8) . . ?
C28 C27 H27 120.1 . . ?
N4 C28 H28 118.9 . . ?
C27 C28 N4 122.1(8) . . ?
C27 C28 H28 118.9 . . ?
O7 C29 C30 125.6(6) . . ?
O7 C29 C34 127.9(6) . . ?
C34 C29 C30 106.5(5) . . ?
C29 C30 C35 100.0(5) . . ?
C31 C30 C29 102.8(6) . . ?
C31 C30 C35 101.5(5) . . ?
C38 C30 C29 114.1(5) . . ?
C38 C30 C31 115.4(7) . . ?
C38 C30 C35 120.4(7) . . ?
C30 C31 H31A 110.7 . . ?
C30 C31 H31B 110.7 . . ?
C30 C31 C32 105.3(6) . . ?
H31A C31 H31B 108.8 . . ?
C32 C31 H31A 110.7 . . ?
C32 C31 H31B 110.7 . . ?
C31 C32 H32A 111.4 . . ?
C31 C32 H32B 111.4 . . ?
H32A C32 H32B 109.2 . . ?
C33 C32 C31 102.0(6) . . ?
C33 C32 H32A 111.4 . . ?
C33 C32 H32B 111.4 . . ?
C32 C33 H33 115.1 . . ?
C32 C33 C35 102.0(6) . . ?
C34 C33 C32 107.1(6) . . ?
C34 C33 H33 115.1 . . ?
C34 C33 C35 100.8(5) . . ?
C35 C33 H33 115.1 . . ?
C29 C34 C33 104.5(5) . . ?
C39 C34 C29 120.9(5) . . ?
C39 C34 C33 134.5(6) . . ?
C33 C35 C30 94.3(5) . . ?
C36 C35 C30 113.4(6) . . ?
C36 C35 C33 113.4(6) . . ?
C37 C35 C30 112.7(6) . . ?
C37 C35 C33 114.7(6) . . ?
C37 C35 C36 108.0(6) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C30 C38 H38A 109.5 . . ?
C30 C38 H38B 109.5 . . ?
C30 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O8 C39 C34 126.5(5) . . ?
O8 C39 C40 113.3(5) . . ?
C34 C39 C40 120.1(5) . . ?
F39 C40 F40 106.2(6) . . ?
F39 C40 C39 110.3(5) . . ?
F39 C40 C41 107.3(6) . . ?
F40 C40 C39 111.0(6) . . ?
F40 C40 C41 108.3(6) . . ?
C39 C40 C41 113.5(6) . . ?
F37 C41 C40 109.5(6) . . ?
F37 C41 C42 106.5(7) . . ?
F38 C41 F37 107.4(8) . . ?
F38 C41 C40 108.8(6) . . ?
F38 C41 C42 107.5(7) . . ?
C42 C41 C40 116.8(9) . . ?
F34 C42 F35 109.5(10) . . ?
F34 C42 F36 110.2(12) . . ?
F34 C42 C41 111.3(8) . . ?
F35 C42 C41 108.0(11) . . ?
F36 C42 F35 106.7(10) . . ?
F36 C42 C41 111.0(8) . . ?
O9 C43 C44 125.0(6) . . ?
O9 C43 C48 128.0(6) . . ?
C48 C43 C44 106.8(5) . . ?
C43 C44 C45 103.0(6) . . ?
C43 C44 C49 99.7(5) . . ?
C49 C44 C45 102.3(6) . . ?
C52 C44 C43 115.2(6) . . ?
C52 C44 C45 116.1(6) . . ?
C52 C44 C49 118.0(6) . . ?
C44 C45 H45A 110.8 . . ?
C44 C45 H45B 110.8 . . ?
H45A C45 H45B 108.9 . . ?
C46 C45 C44 104.5(6) . . ?
C46 C45 H45A 110.8 . . ?
C46 C45 H45B 110.8 . . ?
C45 C46 H46A 111.3 . . ?
C45 C46 H46B 111.3 . . ?
C45 C46 C47 102.5(5) . . ?
H46A C46 H46B 109.2 . . ?
C47 C46 H46A 111.3 . . ?
C47 C46 H46B 111.3 . . ?
C46 C47 H47 115.3 . . ?
C46 C47 C49 102.1(5) . . ?
C48 C47 C46 105.7(5) . . ?
C48 C47 H47 115.3 . . ?
C48 C47 C49 101.4(5) . . ?
C49 C47 H47 115.3 . . ?
C43 C48 C47 104.8(5) . . ?
C53 C48 C43 121.5(5) . . ?
C53 C48 C47 133.4(6) . . ?
C44 C49 C47 93.5(5) . . ?
C50 C49 C44 113.9(6) . . ?
C50 C49 C47 112.8(5) . . ?
C51 C49 C44 114.7(5) . . ?
C51 C49 C47 113.7(6) . . ?
C51 C49 C50 107.9(6) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C44 C52 H52A 109.5 . . ?
C44 C52 H52B 109.5 . . ?
C44 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O10 C53 C48 126.4(6) . . ?
O10 C53 C54 113.6(5) . . ?
C48 C53 C54 120.0(5) . . ?
F65 C54 C53 111.2(5) . . ?
F65 C54 C55 108.3(5) . . ?
F66 C54 F65 104.3(5) . . ?
F66 C54 C53 110.0(5) . . ?
F66 C54 C55 108.3(6) . . ?
C55 C54 C53 114.3(5) . . ?
F63 C55 F64 109.2(7) . . ?
F63 C55 C54 108.2(6) . . ?
F63 C55 C56 107.7(7) . . ?
F64 C55 C54 108.4(6) . . ?
F64 C55 C56 106.1(7) . . ?
C54 C55 C56 117.0(7) . . ?
F60 C56 C55 110.8(7) . . ?
F61 C56 F60 108.0(8) . . ?
F61 C56 F62 107.5(7) . . ?
F61 C56 C55 111.9(8) . . ?
F62 C56 F60 105.6(9) . . ?
F62 C56 C55 112.7(7) . . ?
O12 C60 N8 126.1(8) . . ?
O12 C60 H60 117.0 . . ?
N8 C60 H60 117.0 . . ?
N8 C61 H61A 109.5 . . ?
N8 C61 H61B 109.5 . . ?
N8 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N8 C62 H62A 109.5 . . ?
N8 C62 H62B 109.5 . . ?
N8 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C57 N7 C58 119.4(7) . . ?
C57 N7 C59 122.4(7) . . ?
C59 N7 C58 117.9(8) . . ?
O11 C57 N7 125.9(8) . . ?
O11 C57 H57 117.1 . . ?
N7 C57 H57 117.1 . . ?
N7 C58 H58A 109.5 . . ?
N7 C58 H58B 109.5 . . ?
N7 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N7 C59 H59A 109.5 . . ?
N7 C59 H59B 109.5 . . ?
N7 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 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
Dy1 O2 C7 C2 135.7(6) . . . . ?
Dy1 O2 C7 C6 -45.0(10) . . . . ?
Dy1 O3 C9 N2 16.6(8) . . . . ?
Dy1 O3 C9 C10 -162.4(4) . . . . ?
Dy1 O7 C29 C30 -156.8(6) . . . . ?
Dy1 O7 C29 C34 22.5(12) . . . . ?
Dy1 O8 C39 C34 -32.5(11) . . . . ?
Dy1 O8 C39 C40 150.0(5) . . . . ?
Dy1 O6 C23 N5 -177.4(5) . . . . ?
Dy1 O6 C23 C24 4.8(8) . . . . ?
Dy1 N3 C8 C6 8.4(10) . . . . ?
Dy1 N4 C24 C23 1.6(7) . . . . ?
Dy1 N4 C24 C25 -178.2(5) . . . . ?
Dy1 N4 C28 C27 179.7(6) . . . . ?
Dy2 O3 C9 N2 172.4(5) . . . . ?
Dy2 O3 C9 C10 -6.5(7) . . . . ?
Dy2 O5 C21 C16 -136.7(6) . . . . ?
Dy2 O5 C21 C20 44.8(10) . . . . ?
Dy2 O9 C43 C44 162.7(5) . . . . ?
Dy2 O9 C43 C48 -21.0(12) . . . . ?
Dy2 O10 C53 C48 6.7(10) . . . . ?
Dy2 O10 C53 C54 -172.2(4) . . . . ?
Dy2 O6 C23 N5 -13.4(9) . . . . ?
Dy2 O6 C23 C24 168.7(4) . . . . ?
Dy2 N1 C10 C9 0.7(7) . . . . ?
Dy2 N1 C10 C11 -178.2(5) . . . . ?
Dy2 N1 C14 C13 177.6(6) . . . . ?
Dy2 N6 C22 C20 -6.7(10) . . . . ?
F37 C41 C42 F34 58.7(14) . . . . ?
F37 C41 C42 F35 -61.5(11) . . . . ?
F37 C41 C42 F36 -178.1(10) . . . . ?
F38 C41 C42 F34 173.6(11) . . . . ?
F38 C41 C42 F35 53.4(10) . . . . ?
F38 C41 C42 F36 -63.2(13) . . . . ?
F39 C40 C41 F37 179.7(6) . . . . ?
F39 C40 C41 F38 62.6(7) . . . . ?
F39 C40 C41 C42 -59.3(9) . . . . ?
F40 C40 C41 F37 -66.1(8) . . . . ?
F40 C40 C41 F38 176.7(6) . . . . ?
F40 C40 C41 C42 54.9(9) . . . . ?
F63 C55 C56 F60 -67.3(10) . . . . ?
F63 C55 C56 F61 53.3(11) . . . . ?
F63 C55 C56 F62 174.6(8) . . . . ?
F64 C55 C56 F60 175.8(8) . . . . ?
F64 C55 C56 F61 -63.6(10) . . . . ?
F64 C55 C56 F62 57.7(10) . . . . ?
F65 C54 C55 F63 170.9(6) . . . . ?
F65 C54 C55 F64 -70.7(7) . . . . ?
F65 C54 C55 C56 49.1(9) . . . . ?
F66 C54 C55 F63 58.4(8) . . . . ?
F66 C54 C55 F64 176.7(6) . . . . ?
F66 C54 C55 C56 -63.4(8) . . . . ?
O1 C2 C3 C4 179.9(8) . . . . ?
O1 C2 C7 O2 -1.8(10) . . . . ?
O1 C2 C7 C6 178.8(6) . . . . ?
O3 C9 C10 N1 3.4(8) . . . . ?
O3 C9 C10 C11 -177.7(6) . . . . ?
O4 C16 C17 C18 178.8(7) . . . . ?
O4 C16 C21 O5 4.0(10) . . . . ?
O4 C16 C21 C20 -177.4(6) . . . . ?
O7 C29 C30 C31 107.8(9) . . . . ?
O7 C29 C30 C35 -147.9(8) . . . . ?
O7 C29 C30 C38 -18.0(12) . . . . ?
O7 C29 C34 C33 -177.5(8) . . . . ?
O7 C29 C34 C39 4.9(13) . . . . ?
O8 C39 C40 F39 -28.2(9) . . . . ?
O8 C39 C40 F40 -145.6(6) . . . . ?
O8 C39 C40 C41 92.2(8) . . . . ?
O9 C43 C44 C45 107.5(9) . . . . ?
O9 C43 C44 C49 -147.3(8) . . . . ?
O9 C43 C44 C52 -20.0(11) . . . . ?
O9 C43 C48 C47 -178.3(8) . . . . ?
O9 C43 C48 C53 -2.7(12) . . . . ?
O10 C53 C54 F65 -154.0(5) . . . . ?
O10 C53 C54 F66 -39.0(7) . . . . ?
O10 C53 C54 C55 83.0(7) . . . . ?
O6 C23 C24 N4 -3.9(9) . . . . ?
O6 C23 C24 C25 175.9(6) . . . . ?
N1 C10 C11 C12 2.5(12) . . . . ?
N2 N3 C8 C6 -179.8(6) . . . . ?
N2 C9 C10 N1 -175.7(6) . . . . ?
N2 C9 C10 C11 3.2(10) . . . . ?
N3 N2 C9 O3 -2.0(9) . . . . ?
N3 N2 C9 C10 176.9(5) . . . . ?
N4 C24 C25 C26 -2.1(12) . . . . ?
N5 N6 C22 C20 176.7(6) . . . . ?
N5 C23 C24 N4 178.1(6) . . . . ?
N5 C23 C24 C25 -2.1(10) . . . . ?
N6 N5 C23 O6 1.6(9) . . . . ?
N6 N5 C23 C24 179.4(6) . . . . ?
C1 O1 C2 C3 5.8(13) . . . . ?
C1 O1 C2 C7 -172.9(8) . . . . ?
C2 C3 C4 C5 1.6(13) . . . . ?
C3 C2 C7 O2 179.4(7) . . . . ?
C3 C2 C7 C6 0.0(11) . . . . ?
C3 C4 C5 C6 -0.2(12) . . . . ?
C4 C5 C6 C7 -1.2(11) . . . . ?
C4 C5 C6 C8 179.3(7) . . . . ?
C5 C6 C7 O2 -178.1(7) . . . . ?
C5 C6 C7 C2 1.3(10) . . . . ?
C5 C6 C8 N3 -166.1(7) . . . . ?
C7 C2 C3 C4 -1.4(12) . . . . ?
C7 C6 C8 N3 14.4(11) . . . . ?
C8 C6 C7 O2 1.4(11) . . . . ?
C8 C6 C7 C2 -179.3(7) . . . . ?
C9 N2 N3 Dy1 -13.0(6) . . . . ?
C9 N2 N3 C8 174.4(6) . . . . ?
C9 C10 C11 C12 -176.3(8) . . . . ?
C10 N1 C14 C13 1.3(11) . . . . ?
C10 C11 C12 C13 -2.7(14) . . . . ?
C11 C12 C13 C14 2.3(14) . . . . ?
C12 C13 C14 N1 -1.6(13) . . . . ?
C14 N1 C10 C9 177.1(6) . . . . ?
C14 N1 C10 C11 -1.8(10) . . . . ?
C15 O4 C16 C17 -3.8(13) . . . . ?
C15 O4 C16 C21 174.6(8) . . . . ?
C16 C17 C18 C19 -0.3(12) . . . . ?
C17 C16 C21 O5 -177.5(7) . . . . ?
C17 C16 C21 C20 1.1(10) . . . . ?
C17 C18 C19 C20 -1.6(13) . . . . ?
C18 C19 C20 C21 3.3(12) . . . . ?
C18 C19 C20 C22 -179.7(8) . . . . ?
C19 C20 C21 O5 175.6(7) . . . . ?
C19 C20 C21 C16 -2.9(10) . . . . ?
C19 C20 C22 N6 168.3(7) . . . . ?
C21 C16 C17 C18 0.6(12) . . . . ?
C21 C20 C22 N6 -14.8(11) . . . . ?
C22 C20 C21 O5 -1.3(11) . . . . ?
C22 C20 C21 C16 -179.8(7) . . . . ?
C23 N5 N6 Dy2 10.5(7) . . . . ?
C23 N5 N6 C22 -172.5(6) . . . . ?
C23 C24 C25 C26 178.1(8) . . . . ?
C24 N4 C28 C27 -0.6(11) . . . . ?
C24 C25 C26 C27 0.6(14) . . . . ?
C25 C26 C27 C28 0.8(14) . . . . ?
C26 C27 C28 N4 -0.8(13) . . . . ?
C28 N4 C24 C23 -178.1(6) . . . . ?
C28 N4 C24 C25 2.1(10) . . . . ?
C29 C30 C31 C32 71.4(6) . . . . ?
C29 C30 C35 C33 -52.3(6) . . . . ?
C29 C30 C35 C36 -170.2(6) . . . . ?
C29 C30 C35 C37 66.7(7) . . . . ?
C29 C34 C39 O8 0.0(12) . . . . ?
C29 C34 C39 C40 177.3(7) . . . . ?
C30 C29 C34 C33 1.9(8) . . . . ?
C30 C29 C34 C39 -175.6(7) . . . . ?
C30 C31 C32 C33 -3.3(7) . . . . ?
C31 C30 C35 C33 53.1(6) . . . . ?
C31 C30 C35 C36 -64.8(7) . . . . ?
C31 C30 C35 C37 172.1(6) . . . . ?
C31 C32 C33 C34 -67.6(7) . . . . ?
C31 C32 C33 C35 37.7(6) . . . . ?
C32 C33 C34 C29 70.0(7) . . . . ?
C32 C33 C34 C39 -113.0(9) . . . . ?
C32 C33 C35 C30 -56.0(5) . . . . ?
C32 C33 C35 C36 61.9(7) . . . . ?
C32 C33 C35 C37 -173.4(5) . . . . ?
C33 C34 C39 O8 -176.7(7) . . . . ?
C33 C34 C39 C40 0.6(12) . . . . ?
C34 C29 C30 C31 -71.7(7) . . . . ?
C34 C29 C30 C35 32.6(7) . . . . ?
C34 C29 C30 C38 162.5(7) . . . . ?
C34 C33 C35 C30 54.2(6) . . . . ?
C34 C33 C35 C36 172.1(6) . . . . ?
C34 C33 C35 C37 -63.2(7) . . . . ?
C34 C39 C40 F39 154.2(7) . . . . ?
C34 C39 C40 F40 36.8(9) . . . . ?
C34 C39 C40 C41 -85.4(8) . . . . ?
C35 C30 C31 C32 -31.7(7) . . . . ?
C35 C33 C34 C29 -36.2(7) . . . . ?
C35 C33 C34 C39 140.8(8) . . . . ?
C38 C30 C31 C32 -163.6(6) . . . . ?
C38 C30 C35 C33 -178.1(6) . . . . ?
C38 C30 C35 C36 64.0(9) . . . . ?
C38 C30 C35 C37 -59.0(8) . . . . ?
C39 C40 C41 F37 57.6(9) . . . . ?
C39 C40 C41 F38 -59.5(8) . . . . ?
C39 C40 C41 C42 178.7(6) . . . . ?
C40 C41 C42 F34 -63.9(13) . . . . ?
C40 C41 C42 F35 175.9(7) . . . . ?
C40 C41 C42 F36 59.3(13) . . . . ?
C43 C44 C45 C46 71.4(6) . . . . ?
C43 C44 C49 C47 -52.8(6) . . . . ?
C43 C44 C49 C50 64.1(7) . . . . ?
C43 C44 C49 C51 -171.0(6) . . . . ?
C43 C48 C53 O10 9.7(10) . . . . ?
C43 C48 C53 C54 -171.4(6) . . . . ?
C44 C43 C48 C47 -1.4(8) . . . . ?
C44 C43 C48 C53 174.2(6) . . . . ?
C44 C45 C46 C47 -3.9(7) . . . . ?
C45 C44 C49 C47 52.9(6) . . . . ?
C45 C44 C49 C50 169.8(6) . . . . ?
C45 C44 C49 C51 -65.3(7) . . . . ?
C45 C46 C47 C48 -67.5(6) . . . . ?
C45 C46 C47 C49 38.2(6) . . . . ?
C46 C47 C48 C43 72.7(7) . . . . ?
C46 C47 C48 C53 -102.1(8) . . . . ?
C46 C47 C49 C44 -56.0(5) . . . . ?
C46 C47 C49 C50 -173.8(5) . . . . ?
C46 C47 C49 C51 63.0(7) . . . . ?
C47 C48 C53 O10 -176.1(6) . . . . ?
C47 C48 C53 C54 2.7(11) . . . . ?
C48 C43 C44 C45 -69.4(7) . . . . ?
C48 C43 C44 C49 35.7(7) . . . . ?
C48 C43 C44 C52 163.1(6) . . . . ?
C48 C47 C49 C44 53.0(5) . . . . ?
C48 C47 C49 C50 -64.8(6) . . . . ?
C48 C47 C49 C51 172.0(6) . . . . ?
C48 C53 C54 F65 27.0(8) . . . . ?
C48 C53 C54 F66 142.0(6) . . . . ?
C48 C53 C54 C55 -96.0(7) . . . . ?
C49 C44 C45 C46 -31.7(7) . . . . ?
C49 C47 C48 C43 -33.5(7) . . . . ?
C49 C47 C48 C53 151.7(7) . . . . ?
C52 C44 C45 C46 -161.7(6) . . . . ?
C52 C44 C49 C47 -178.3(6) . . . . ?
C52 C44 C49 C50 -61.4(8) . . . . ?
C52 C44 C49 C51 63.5(8) . . . . ?
C53 C54 C55 F63 -64.5(8) . . . . ?
C53 C54 C55 F64 53.8(8) . . . . ?
C53 C54 C55 C56 173.7(6) . . . . ?
C54 C55 C56 F60 54.8(11) . . . . ?
C54 C55 C56 F61 175.4(8) . . . . ?
C54 C55 C56 F62 -63.4(11) . . . . ?
C61 N8 C60 O12 -179.7(9) . . . . ?
C62 N8 C60 O12 3.0(14) . . . . ?
C58 N7 C57 O11 178.3(8) . . . . ?
C59 N7 C57 O11 3.3(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.708
_oxdiff_exptl_absorpt_empirical_full_min 0.548
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_l3
_database_code_depnum_ccdc_archive 'CCDC 2308021'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-11-15 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2023-11-14
_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         'C60 H62 Dy2 F14 N10 O12'
_chemical_formula_sum            'C60 H62 Dy2 F14 N10 O12'
_chemical_formula_weight         1706.19
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFDy
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'
Dy Dy -0.1892 4.4098 '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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   11.3542(2)
_cell_length_b                   16.7025(3)
_cell_length_c                   18.8605(4)
_cell_angle_alpha                70.275(2)
_cell_angle_beta                 89.9510(10)
_cell_angle_gamma                82.8120(10)
_cell_volume                     3337.16(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    33585
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      26.8320
_cell_measurement_theta_min      1.9840
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.327
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1692
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            89477
_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         25.529
_diffrn_reflns_theta_min         1.810
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00  65.00   0.50   15.00    --  -20.00  45.00   0.00  340
  2  ω   -105.00  65.00   0.50   15.00    --  -20.00  45.00  90.00  340
  3  ω   -105.00  65.00   0.50   15.00    --  -20.00  45.00 180.00  340
  4  ω    -97.00  73.00   0.50   15.00    --   -8.00  45.00 270.00  340
  5  ω   -125.00  45.00   0.50   15.00    --  -40.00  45.00   0.00  340
  6  ω   -125.00  45.00   0.50   15.00    --  -40.00  45.00  45.00  340
  7  ω   -125.00  45.00   0.50   15.00    --  -40.00  45.00 135.00  340
  8  ω   -125.00  45.00   0.50   15.00    --  -40.00  45.00 205.00  340
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0283365000
_diffrn_orient_matrix_UB_12      -0.0393334000
_diffrn_orient_matrix_UB_13      0.0257614000
_diffrn_orient_matrix_UB_21      -0.0050667000
_diffrn_orient_matrix_UB_22      -0.0199252000
_diffrn_orient_matrix_UB_23      -0.0274439000
_diffrn_orient_matrix_UB_31      0.0560690000
_diffrn_orient_matrix_UB_32      0.0112932000
_diffrn_orient_matrix_UB_33      -0.0135081000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                22026
_reflns_number_total             24868
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.621
_refine_diff_density_min         -1.777
_refine_diff_density_rms         0.147
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.032(17)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1725
_refine_ls_number_reflns         24868
_refine_ls_number_restraints     1195
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0548
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0919P)²+11.5334P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1455
_refine_ls_wR_factor_ref         0.1522
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.968(17)
 0.032(17)
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
 C97-C98 = C51-C52
 1.54 with sigma of 0.01
 C68-C66 = C68-N11
 1.38 with sigma of 0.02
 F26-C114
 1.38 with sigma of 0.02
 F17-C99 = F18-C99 = F16-C98 = F15-C98 = F19-C100 = F20-C100 = F21-C100
 1.38 with sigma of 0.02
 F27-C114
 1.38 with sigma of 0.02
 C113-C114
 1.4 with sigma of 0.01
 C18-C17 = C18-C19 = C17-C16 = C16-C15 = C20-C19 = C15-C20
 1.39 with sigma of 0.02
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
Uanis(C115) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C113) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F23) \\sim Ueq, Uanis(F28) \\sim Ueq, Uanis(F22) \\sim Ueq, Uanis(F27)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C97) \\sim Ueq, Uanis(C96) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C88)
\\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C93) \\sim Ueq,
Uanis(C95) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C92) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(O20) \\sim Ueq, Uanis(O19) \\sim Ueq, Uanis(C95) \\sim Ueq: with sigma of
0.002 and sigma for terminal atoms of 0.005
Uanis(C56) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(C57)
\\sim Ueq, Uanis(O22) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.005
Uanis(F15) \\sim Ueq, Uanis(F16) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C98) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C73) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C17) \\sim Ueq,
Uanis(C20) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C48)
\\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq,
Uanis(C13) \\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C111)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F26) \\sim Ueq, Uanis(C110) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(F24) \\sim Ueq, Uanis(F11) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C60)
\\sim Ueq, Uanis(N18) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(C99) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq, Uanis(F20)
\\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(F21) \\sim Ueq, Uanis(F19) \\sim Ueq:
with sigma of 0.002 and sigma for terminal atoms of 0.005
6. Rigid body (RIGU) restrains
 O19, O20, C87, C88, C89, C90, C91, C92, C93, C94, C95, C96, C97
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Others
 Fixed U11: F17(0.139279) F18(0.139279) F19(0.139279) F20(0.139279)
 F21(0.139279) C99(0.150004) C100(0.150004)
 Fixed U12: F17(-0.00706) F18(-0.00706) F19(-0.00706) F20(-0.00706) F21(-
 0.00706) C99(0.006439) C100(0.006439)
 Fixed U13: F17(-0.049635) F18(-0.049635) F19(-0.049635) F20(-0.049635) F21(-
 0.049635) C99(0.018067) C100(0.018067)
 Fixed U22: F17(0.133828) F18(0.133828) F19(0.133828) F20(0.133828)
 F21(0.133828) C99(0.166159) C100(0.166159)
 Fixed U23: F17(-0.030969) F18(-0.030969) F19(-0.030969) F20(-0.030969) F21(-
 0.030969) C99(0.022342) C100(0.022342)
 Fixed U33: F17(0.1202) F18(0.1202) F19(0.1202) F20(0.1202) F21(0.1202)
 C99(0.15) C100(0.15)
8.a :
 C98(F15,F16,F17,F18,F19,F20,F21,C99,C100)
8.b Ternary CH refined with riding coordinates:
 C31(H31), C45(H45), C91(H91), C105(H105)
8.c Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C30(H30A,H30B), C43(H43A,H43B), C44(H44A,H44B), C89(H89A,
 H89B), C90(H90A,H90B), C103(H10A,H10B), C104(H10C,H10D)
8.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C16(H16),
 C17(H17), C18(H18), C21(H21), C24(H24), C25(H25), C26(H26), C55(H55), C58(H58),
  C63(H63), C64(H64), C65(H65), C68(H68), C71(H71), C72(H72), C73(H73),
 C76(H76), C77(H77), C78(H78), C81(H81), C84(H84), C85(H85), C86(H86),
 C115(H115), C118(H118)
8.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C), C36(H36A,H36B,H36C), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C), C50(H50A,
 H50B,H50C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C59(H59A,H59B,H59C),
 C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C74(H74A,H74B,H74C), C94(H94A,H94B,
 H94C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C), C108(H10E,H10F,H10G),
 C109(H10H,H10I,H10J), C110(H11A,H11B,H11C), C116(H11D,H11E,H11F), C117(H11G,
 H11H,H11I), C119(H11J,H11K,H11L), C120(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.69178(5) 0.40670(4) 0.78737(3) 0.03524(19) Uani 1 1 d . U . . .
Dy2 Dy 0.82629(5) 0.59669(4) 0.64289(4) 0.0398(2) Uani 1 1 d . U . . .
F1 F 0.9578(11) 0.3151(7) 1.0141(6) 0.078(3) Uani 1 1 d . U . . .
F2 F 1.0170(9) 0.1818(8) 1.0248(6) 0.065(3) Uani 1 1 d . U . . .
F3 F 0.7347(12) 0.2782(8) 1.0487(7) 0.090(4) Uani 1 1 d . U . . .
F4 F 0.8784(13) 0.2079(9) 1.1327(6) 0.093(4) Uani 1 1 d . U . . .
F5 F 0.7296(13) 0.1376(11) 1.0097(7) 0.093(4) Uani 1 1 d . U . . .
F6 F 0.7024(14) 0.1183(10) 1.1251(7) 0.103(4) Uani 1 1 d . U . . .
F7 F 0.8687(15) 0.0686(9) 1.0940(9) 0.103(4) Uani 1 1 d . U . . .
F8 F 0.5409(14) 0.7884(9) 0.7240(8) 0.109(5) Uani 1 1 d . U . . .
F9 F 0.4758(11) 0.8846(9) 0.6128(8) 0.089(4) Uani 1 1 d . U . . .
F10 F 0.7568(13) 0.8460(10) 0.7024(10) 0.115(5) Uani 1 1 d . U . . .
F11 F 0.6980(17) 0.9384(10) 0.5966(9) 0.114(4) Uani 1 1 d . U . . .
F12 F 0.590(2) 0.9133(12) 0.7768(9) 0.145(7) Uani 1 1 d . U . . .
F13 F 0.6973(19) 0.9979(12) 0.7128(12) 0.146(6) Uani 1 1 d . U . . .
F14 F 0.5247(17) 1.0045(12) 0.6699(10) 0.128(5) Uani 1 1 d . U . . .
O1 O 0.4668(11) 0.2372(9) 0.9694(7) 0.060(3) Uani 1 1 d . U . . .
O2 O 0.5648(12) 0.3220(10) 0.8459(7) 0.052(3) Uani 1 1 d . U . . .
O3 O 0.7343(11) 0.4735(7) 0.6630(6) 0.043(2) Uani 1 1 d . U . . .
O4 O 1.0561(11) 0.7627(8) 0.4633(7) 0.058(3) Uani 1 1 d . U . . .
O5 O 0.9484(12) 0.6807(8) 0.5821(7) 0.053(3) Uani 1 1 d . U . . .
O6 O 0.7798(12) 0.5310(8) 0.7686(6) 0.048(2) Uani 1 1 d . U . . .
O7 O 0.8381(9) 0.3065(7) 0.7607(5) 0.040(2) Uani 1 1 d . U . . .
O8 O 0.8248(13) 0.3442(8) 0.8916(7) 0.055(3) Uani 1 1 d . U . . .
O9 O 0.6948(12) 0.6544(8) 0.5338(7) 0.053(3) Uani 1 1 d . U . . .
O10 O 0.6834(12) 0.6998(8) 0.6575(7) 0.057(3) Uani 1 1 d . U . . .
O11 O 0.5190(14) 0.5078(10) 0.7439(9) 0.064(3) Uani 1 1 d . U . . .
O12 O 1.0018(12) 0.4982(9) 0.6850(7) 0.053(3) Uani 1 1 d . U . . .
N1 N 0.6144(10) 0.3474(9) 0.6946(7) 0.036(2) Uani 1 1 d . U . . .
N2 N 0.6624(13) 0.3722(10) 0.6222(7) 0.041(3) Uani 1 1 d . U . . .
N3 N 0.8634(12) 0.5205(10) 0.5428(8) 0.043(3) Uani 1 1 d . U . . .
N4 N 0.8519(17) 0.4560(14) 0.4252(10) 0.069(5) Uani 1 1 d . U . . .
N5 N 0.9070(13) 0.6568(10) 0.7354(8) 0.048(3) Uani 1 1 d . U . . .
N6 N 0.8568(14) 0.6309(10) 0.8086(8) 0.047(3) Uani 1 1 d . U . . .
N7 N 0.6621(13) 0.4752(9) 0.8885(8) 0.042(3) Uani 1 1 d . U . . .
N8 N 0.6790(19) 0.5298(13) 1.0090(10) 0.070(5) Uani 1 1 d . U . . .
N9 N 0.3690(14) 0.6105(12) 0.6888(11) 0.063(4) Uani 1 1 d . U . . .
N10 N 1.1565(14) 0.4034(12) 0.7475(10) 0.058(4) Uani 1 1 d . U . . .
C1 C 0.418(2) 0.194(2) 1.0362(12) 0.089(9) Uani 1 1 d . U . . .
H1A H 0.332126 0.195723 1.027395 0.134 Uiso 1 1 calc R U . . .
H1B H 0.429916 0.222373 1.073171 0.134 Uiso 1 1 calc R U . . .
H1C H 0.455492 0.134713 1.055528 0.134 Uiso 1 1 calc R U . . .
C2 C 0.4575(14) 0.2107(11) 0.9103(10) 0.044(3) Uani 1 1 d . U . . .
C3 C 0.4051(16) 0.1412(12) 0.9102(12) 0.055(4) Uani 1 1 d . U . . .
H3 H 0.368132 0.109894 0.954283 0.066 Uiso 1 1 calc R U . . .
C4 C 0.4043(17) 0.1160(13) 0.8505(12) 0.057(4) Uani 1 1 d . U . . .
H4 H 0.375252 0.063720 0.854760 0.068 Uiso 1 1 calc R U . . .
C5 C 0.4460(13) 0.1660(10) 0.7804(11) 0.047(4) Uani 1 1 d . U . . .
H5 H 0.435348 0.151621 0.736398 0.057 Uiso 1 1 calc R U . . .
C6 C 0.5043(14) 0.2381(10) 0.7772(10) 0.042(3) Uani 1 1 d . U . . .
C7 C 0.5116(14) 0.2588(10) 0.8439(9) 0.041(3) Uani 1 1 d . U . . .
C8 C 0.5517(13) 0.2847(11) 0.7053(9) 0.039(3) Uani 1 1 d . U . . .
H8 H 0.535525 0.268048 0.663225 0.047 Uiso 1 1 calc R U . . .
C9 C 0.7239(15) 0.4326(13) 0.6137(9) 0.045(4) Uani 1 1 d . U . . .
C10 C 0.7949(14) 0.4600(10) 0.5451(9) 0.040(3) Uani 1 1 d . U . . .
C11 C 0.7903(17) 0.4292(13) 0.4858(10) 0.054(4) Uani 1 1 d . U . . .
H11 H 0.740362 0.386648 0.489032 0.065 Uiso 1 1 calc R U . . .
C12 C 0.9203(18) 0.5174(14) 0.4244(11) 0.062(4) Uani 1 1 d . U . . .
H12 H 0.969212 0.537890 0.382933 0.075 Uiso 1 1 calc R U . . .
C13 C 0.9208(19) 0.5500(14) 0.4804(11) 0.061(4) Uani 1 1 d . U . . .
H13 H 0.964534 0.596550 0.474913 0.073 Uiso 1 1 calc R U . . .
C14 C 1.101(2) 0.8140(16) 0.3918(13) 0.072(7) Uani 1 1 d . U . . .
H14A H 1.083879 0.790335 0.352576 0.108 Uiso 1 1 calc R U . . .
H14B H 1.187284 0.812598 0.397577 0.108 Uiso 1 1 calc R U . . .
H14C H 1.062622 0.873450 0.377450 0.108 Uiso 1 1 calc R U . . .
C15 C 1.0585(17) 0.7944(13) 0.5240(11) 0.057(4) Uani 1 1 d D U . . .
C16 C 1.115(2) 0.8619(15) 0.5261(13) 0.069(5) Uani 1 1 d D U . . .
H16 H 1.146752 0.896950 0.481312 0.082 Uiso 1 1 calc R U . . .
C17 C 1.128(2) 0.8806(16) 0.5958(11) 0.069(5) Uani 1 1 d D U . . .
H17 H 1.173349 0.923950 0.598108 0.082 Uiso 1 1 calc R U . . .
C18 C 1.074(2) 0.8345(15) 0.6563(13) 0.079(5) Uani 1 1 d D U . . .
H18 H 1.074436 0.848457 0.701175 0.094 Uiso 1 1 calc R U . . .
C19 C 1.0163(16) 0.7646(12) 0.6535(10) 0.051(4) Uani 1 1 d D U . . .
C20 C 1.0055(16) 0.7432(12) 0.5893(9) 0.053(4) Uani 1 1 d D U . . .
C21 C 0.9586(18) 0.7208(13) 0.7227(12) 0.057(4) Uani 1 1 d . U . . .
H21 H 0.961043 0.744175 0.762041 0.069 Uiso 1 1 calc R U . . .
C22 C 0.7931(15) 0.5682(10) 0.8180(9) 0.041(3) Uani 1 1 d . U . . .
C23 C 0.7327(14) 0.5345(11) 0.8871(9) 0.041(3) Uani 1 1 d . U . . .
C24 C 0.7415(19) 0.5619(13) 0.9493(10) 0.061(5) Uani 1 1 d . U . . .
H24 H 0.792242 0.603277 0.948437 0.073 Uiso 1 1 calc R U . . .
C25 C 0.6137(19) 0.4736(13) 1.0107(11) 0.065(5) Uani 1 1 d . U . . .
H25 H 0.574831 0.448014 1.055800 0.078 Uiso 1 1 calc R U . . .
C26 C 0.5961(17) 0.4473(13) 0.9499(10) 0.052(4) Uani 1 1 d . U . . .
H26 H 0.538603 0.410261 0.951020 0.062 Uiso 1 1 calc R U . . .
C27 C 0.8834(13) 0.2343(12) 0.8062(8) 0.040(3) Uani 1 1 d . U . . .
C28 C 0.9300(15) 0.1615(12) 0.7787(9) 0.043(3) Uani 1 1 d . U . . .
C29 C 1.0694(15) 0.1551(14) 0.7906(10) 0.061(4) Uani 1 1 d . U . . .
H29A H 1.111371 0.114075 0.768513 0.073 Uiso 1 1 calc R U . . .
H29B H 1.096482 0.211865 0.766842 0.073 Uiso 1 1 calc R U . . .
C30 C 1.0924(14) 0.1231(12) 0.8770(10) 0.056(4) Uani 1 1 d . U . . .
H30A H 1.141466 0.066146 0.894871 0.067 Uiso 1 1 calc R U . . .
H30B H 1.132607 0.164068 0.892707 0.067 Uiso 1 1 calc R U . . .
C31 C 0.9711(14) 0.1179(10) 0.9062(8) 0.050(3) Uani 1 1 d . U . . .
H31 H 0.968869 0.082083 0.960608 0.060 Uiso 1 1 calc R U . . .
C32 C 0.9062(16) 0.2114(12) 0.8857(8) 0.044(4) Uani 1 1 d . U . . .
C33 C 0.9034(13) 0.0859(10) 0.8508(8) 0.045(3) Uani 1 1 d . U . . .
C34 C 0.9556(18) -0.0046(11) 0.8536(10) 0.061(4) Uani 1 1 d . U . . .
H34A H 0.899672 -0.027443 0.828317 0.092 Uiso 1 1 calc R U . . .
H34B H 0.969570 -0.042253 0.906291 0.092 Uiso 1 1 calc R U . . .
H34C H 1.030967 -0.001954 0.828066 0.092 Uiso 1 1 calc R U . . .
C35 C 0.7690(15) 0.0866(12) 0.8631(9) 0.055(4) Uani 1 1 d . U . . .
H35A H 0.736354 0.140772 0.869547 0.082 Uiso 1 1 calc R U . . .
H35B H 0.756114 0.038563 0.908301 0.082 Uiso 1 1 calc R U . . .
H35C H 0.729250 0.081062 0.819225 0.082 Uiso 1 1 calc R U . . .
C36 C 0.8847(15) 0.1631(11) 0.7067(8) 0.053(4) Uani 1 1 d . U . . .
H36A H 0.797770 0.174935 0.704124 0.080 Uiso 1 1 calc R U . . .
H36B H 0.908818 0.107296 0.700810 0.080 Uiso 1 1 calc R U . . .
H36C H 0.916747 0.208019 0.666157 0.080 Uiso 1 1 calc R U . . .
C37 C 0.8778(15) 0.2690(13) 0.9198(9) 0.045(3) Uani 1 1 d . U . . .
C38 C 0.923(2) 0.2450(12) 1.0045(9) 0.059(4) Uani 1 1 d . U . . .
C39 C 0.8277(17) 0.2164(12) 1.0637(10) 0.063(3) Uani 1 1 d . U . . .
C40 C 0.7807(19) 0.1349(14) 1.0721(11) 0.072(4) Uani 1 1 d . U . . .
C41 C 0.647(2) 0.7300(13) 0.5013(11) 0.062(5) Uani 1 1 d . U . . .
C42 C 0.6065(19) 0.7688(14) 0.4189(11) 0.064(4) Uani 1 1 d . U . . .
C43 C 0.470(2) 0.7824(15) 0.4233(13) 0.076(5) Uani 1 1 d . U . . .
H43A H 0.431440 0.797049 0.372601 0.091 Uiso 1 1 calc R U . . .
H43B H 0.442103 0.729180 0.456976 0.091 Uiso 1 1 calc R U . . .
C44 C 0.4380(16) 0.8544(13) 0.4537(11) 0.067(4) Uani 1 1 d . U . . .
H44A H 0.391509 0.836353 0.499526 0.080 Uiso 1 1 calc R U . . .
H44B H 0.393079 0.905265 0.415458 0.080 Uiso 1 1 calc R U . . .
C45 C 0.5602(14) 0.8714(10) 0.4713(10) 0.055(3) Uani 1 1 d . U . . .
H45 H 0.562484 0.927347 0.479464 0.066 Uiso 1 1 calc R U . . .
C46 C 0.6191(15) 0.7916(11) 0.5361(10) 0.049(4) Uani 1 1 d . U . . .
C47 C 0.6345(16) 0.8602(12) 0.4038(11) 0.069(4) Uani 1 1 d . U . . .
C48 C 0.585(2) 0.9234(15) 0.3276(12) 0.085(6) Uani 1 1 d . U . . .
H48A H 0.626805 0.909273 0.287113 0.128 Uiso 1 1 calc R U . . .
H48B H 0.595114 0.981786 0.324512 0.128 Uiso 1 1 calc R U . . .
H48C H 0.499789 0.919682 0.322193 0.128 Uiso 1 1 calc R U . . .
C49 C 0.764(2) 0.8691(16) 0.4173(14) 0.079(6) Uani 1 1 d . U . . .
H49A H 0.798622 0.820577 0.460950 0.118 Uiso 1 1 calc R U . . .
H49B H 0.767893 0.922815 0.426949 0.118 Uiso 1 1 calc R U . . .
H49C H 0.808497 0.869675 0.372618 0.118 Uiso 1 1 calc R U . . .
C50 C 0.656(3) 0.7264(19) 0.3698(14) 0.100(7) Uani 1 1 d . U . . .
H50A H 0.741061 0.730023 0.366707 0.150 Uiso 1 1 calc R U . . .
H50B H 0.616945 0.753819 0.319454 0.150 Uiso 1 1 calc R U . . .
H50C H 0.642783 0.665980 0.389262 0.150 Uiso 1 1 calc R U . . .
C51 C 0.6278(17) 0.7686(11) 0.6139(11) 0.053(4) Uani 1 1 d D U . . .
C52 C 0.576(2) 0.8345(14) 0.6502(12) 0.070(4) Uani 1 1 d D U . . .
C53 C 0.667(2) 0.8910(12) 0.6655(12) 0.081(4) Uani 1 1 d . U . . .
C54 C 0.612(3) 0.9480(17) 0.7072(15) 0.096(5) Uani 1 1 d . U . . .
C55 C 0.4701(19) 0.5624(12) 0.6968(17) 0.078(7) Uani 1 1 d . U . . .
H55 H 0.513198 0.576808 0.652043 0.094 Uiso 1 1 calc R U . . .
C56 C 0.263(2) 0.5908(18) 0.7435(15) 0.090(6) Uani 1 1 d . U . . .
H56A H 0.193485 0.585678 0.715734 0.136 Uiso 1 1 calc R U . . .
H56B H 0.244461 0.637663 0.763632 0.136 Uiso 1 1 calc R U . . .
H56C H 0.286571 0.536953 0.785143 0.136 Uiso 1 1 calc R U . . .
C57 C 0.334(2) 0.6742(18) 0.6205(16) 0.093(7) Uani 1 1 d . U . . .
H57A H 0.296952 0.725950 0.629542 0.139 Uiso 1 1 calc R U . . .
H57B H 0.276034 0.654292 0.593759 0.139 Uiso 1 1 calc R U . . .
H57C H 0.403073 0.687296 0.589796 0.139 Uiso 1 1 calc R U . . .
C58 C 1.0456(15) 0.4399(15) 0.7463(11) 0.058(5) Uani 1 1 d . U . . .
H58 H 0.999585 0.423388 0.789674 0.069 Uiso 1 1 calc R U . . .
C59 C 1.211(2) 0.3376(17) 0.8203(13) 0.079(6) Uani 1 1 d . U . . .
H59A H 1.159316 0.338803 0.861830 0.118 Uiso 1 1 calc R U . . .
H59B H 1.289271 0.350950 0.830447 0.118 Uiso 1 1 calc R U . . .
H59C H 1.218686 0.280396 0.815908 0.118 Uiso 1 1 calc R U . . .
C60 C 1.227(2) 0.4197(17) 0.6854(13) 0.081(6) Uani 1 1 d . U . . .
H60A H 1.232383 0.371565 0.666455 0.121 Uiso 1 1 calc R U . . .
H60B H 1.306898 0.426786 0.700117 0.121 Uiso 1 1 calc R U . . .
H60C H 1.191963 0.472371 0.645739 0.121 Uiso 1 1 calc R U . . .
Dy3 Dy 0.35459(5) 0.40775(4) 0.29488(3) 0.03620(19) Uani 1 1 d . U . . .
Dy4 Dy 0.15139(5) 0.59450(4) 0.14711(3) 0.0387(2) Uani 1 1 d . U . . .
F22 F 0.1555(13) 0.7406(12) -0.1115(8) 0.120(5) Uani 1 1 d . U . . .
F23 F 0.188(2) 0.8551(13) -0.1092(11) 0.152(6) Uani 1 1 d . U . . .
F24 F 0.4374(17) 0.8107(13) -0.0894(12) 0.136(6) Uani 1 1 d . U . . .
F25 F 0.3208(14) 0.7871(12) -0.1960(8) 0.125(6) Uani 1 1 d . U . . .
F26 F 0.349(2) 0.6147(15) -0.0922(14) 0.171(7) Uani 1 1 d D U . . .
F27 F 0.4565(17) 0.6542(14) -0.0282(10) 0.139(5) Uani 1 1 d D U . . .
F28 F 0.501(2) 0.6639(15) -0.1413(12) 0.165(7) Uani 1 1 d . U . . .
O13 O 0.6429(11) 0.2407(9) 0.4785(6) 0.052(3) Uani 1 1 d . U . . .
O14 O 0.5041(11) 0.3223(8) 0.3567(7) 0.049(3) Uani 1 1 d . U . . .
O15 O 0.2926(11) 0.4701(8) 0.1693(6) 0.046(2) Uani 1 1 d . U . . .
O16 O -0.1414(11) 0.7542(9) -0.0330(7) 0.056(3) Uani 1 1 d . U . . .
O17 O -0.0082(13) 0.6793(10) 0.0872(8) 0.064(4) Uani 1 1 d . U . . .
O18 O 0.2214(10) 0.5302(7) 0.2736(6) 0.040(2) Uani 1 1 d . U . . .
O19 O 0.2365(12) 0.3573(9) 0.4015(7) 0.063(3) Uani 1 1 d . U . . .
O20 O 0.2395(14) 0.3104(10) 0.2795(8) 0.069(3) Uani 1 1 d . U . . .
O21 O 0.2736(12) 0.6889(9) 0.1714(7) 0.061(3) Uani 1 1 d . U . . .
O22 O 0.2401(16) 0.6643(10) 0.0338(8) 0.086(4) Uani 1 1 d . U . . .
O23 O 0.4958(13) 0.5044(10) 0.2507(8) 0.057(3) Uani 1 1 d . U . . .
O24 O 0.0162(13) 0.4962(10) 0.1889(8) 0.057(3) Uani 1 1 d . U . . .
N11 N 0.4556(12) 0.3430(9) 0.2058(8) 0.046(3) Uani 1 1 d D U . . .
N12 N 0.4021(13) 0.3676(10) 0.1320(8) 0.042(3) Uani 1 1 d . U . . .
N13 N 0.1528(14) 0.5193(11) 0.0483(8) 0.052(3) Uani 1 1 d . U . . .
N14 N 0.183(2) 0.4542(15) -0.0704(10) 0.076(6) Uani 1 1 d . U . . .
N15 N 0.0527(11) 0.6608(9) 0.2365(7) 0.039(3) Uani 1 1 d . U . . .
N16 N 0.1128(13) 0.6396(10) 0.3091(8) 0.041(3) Uani 1 1 d . U . . .
N17 N 0.3660(12) 0.4857(10) 0.3934(8) 0.042(3) Uani 1 1 d . U . . .
N18 N 0.3339(17) 0.5588(13) 0.5030(10) 0.064(4) Uani 1 1 d . U . . .
N19 N 0.6160(14) 0.5965(11) 0.1873(9) 0.050(4) Uani 1 1 d . U . . .
N20 N -0.1023(14) 0.3970(12) 0.2455(9) 0.056(4) Uani 1 1 d . U . . .
C61 C 0.7093(18) 0.1990(15) 0.5451(11) 0.061(5) Uani 1 1 d . U . . .
H61A H 0.793617 0.203556 0.536104 0.091 Uiso 1 1 calc R U . . .
H61B H 0.697506 0.138388 0.563810 0.091 Uiso 1 1 calc R U . . .
H61C H 0.683820 0.225515 0.582668 0.091 Uiso 1 1 calc R U . . .
C62 C 0.6578(14) 0.2144(11) 0.4198(9) 0.038(3) Uani 1 1 d . U . . .
C63 C 0.7440(17) 0.1475(12) 0.4209(10) 0.049(4) Uani 1 1 d . U . . .
H63 H 0.793363 0.119671 0.465237 0.058 Uiso 1 1 calc R U . . .
C64 C 0.7611(17) 0.1194(13) 0.3592(11) 0.051(4) Uani 1 1 d . U . . .
H64 H 0.815465 0.070070 0.362571 0.061 Uiso 1 1 calc R U . . .
C65 C 0.695(2) 0.1665(13) 0.2927(11) 0.057(5) Uani 1 1 d . U . . .
H65 H 0.711404 0.152067 0.248736 0.068 Uiso 1 1 calc R U . . .
C66 C 0.6029(14) 0.2375(11) 0.2881(8) 0.042(3) Uani 1 1 d D U . . .
C67 C 0.5889(15) 0.2622(12) 0.3538(10) 0.044(3) Uani 1 1 d . U . . .
C68 C 0.5369(12) 0.2779(10) 0.2179(9) 0.040(3) Uani 1 1 d D U . . .
H68 H 0.553761 0.255830 0.178207 0.048 Uiso 1 1 calc R U . . .
C69 C 0.3143(15) 0.4326(12) 0.1211(8) 0.042(3) Uani 1 1 d . U . . .
C70 C 0.2405(16) 0.4591(11) 0.0518(9) 0.044(3) Uani 1 1 d . U . . .
C71 C 0.2566(19) 0.4266(13) -0.0075(9) 0.055(4) Uani 1 1 d . U . . .
H71 H 0.321609 0.383348 -0.003595 0.066 Uiso 1 1 calc R U . . .
C72 C 0.098(2) 0.5150(17) -0.0721(11) 0.072(6) Uani 1 1 d . U . . .
H72 H 0.044554 0.535744 -0.114950 0.087 Uiso 1 1 calc R U . . .
C73 C 0.0787(19) 0.5535(15) -0.0148(11) 0.057(4) Uani 1 1 d . U . . .
H73 H 0.017746 0.599933 -0.020333 0.069 Uiso 1 1 calc R U . . .
C74 C -0.220(2) 0.7973(17) -0.0975(12) 0.076(6) Uani 1 1 d . U . . .
H74A H -0.201946 0.771467 -0.136465 0.114 Uiso 1 1 calc R U . . .
H74B H -0.209365 0.858143 -0.117151 0.114 Uiso 1 1 calc R U . . .
H74C H -0.302232 0.791877 -0.083035 0.114 Uiso 1 1 calc R U . . .
C75 C -0.1625(15) 0.7877(13) 0.0247(9) 0.049(4) Uani 1 1 d . U . . .
C76 C -0.2417(16) 0.8564(14) 0.0261(12) 0.059(5) Uani 1 1 d . U . . .
H76 H -0.287741 0.890378 -0.018330 0.070 Uiso 1 1 calc R U . . .
C77 C -0.2554(18) 0.8768(13) 0.0903(12) 0.061(5) Uani 1 1 d . U . . .
H77 H -0.314279 0.922221 0.091107 0.073 Uiso 1 1 calc R U . . .
C78 C -0.1850(15) 0.8324(12) 0.1531(11) 0.049(4) Uani 1 1 d . U . . .
H78 H -0.192058 0.849744 0.196179 0.059 Uiso 1 1 calc R U . . .
C79 C -0.1053(13) 0.7641(11) 0.1555(9) 0.044(3) Uani 1 1 d . U . . .
C80 C -0.0853(15) 0.7409(12) 0.0918(10) 0.048(4) Uani 1 1 d . U . . .
C81 C -0.0362(16) 0.7214(12) 0.2233(10) 0.050(4) Uani 1 1 d . U . . .
H81 H -0.057913 0.739510 0.264697 0.060 Uiso 1 1 calc R U . . .
C82 C 0.1948(14) 0.5763(10) 0.3190(8) 0.036(3) Uani 1 1 d . U . . .
C83 C 0.2763(13) 0.5501(11) 0.3868(8) 0.039(3) Uani 1 1 d . U . . .
C84 C 0.2604(17) 0.5858(14) 0.4436(10) 0.057(4) Uani 1 1 d . U . . .
H84 H 0.196278 0.629710 0.439294 0.068 Uiso 1 1 calc R U . . .
C85 C 0.4223(17) 0.4958(15) 0.5080(11) 0.061(5) Uani 1 1 d . U . . .
H85 H 0.475110 0.473608 0.551186 0.073 Uiso 1 1 calc R U . . .
C86 C 0.4355(17) 0.4648(12) 0.4522(10) 0.050(4) Uani 1 1 d . U . . .
H86 H 0.502608 0.423270 0.456027 0.059 Uiso 1 1 calc R U . . .
C87 C 0.2183(16) 0.2849(12) 0.4374(12) 0.064(4) Uani 1 1 d . U . . .
C88 C 0.194(2) 0.2438(15) 0.5163(13) 0.080(4) Uani 1 1 d . U . . .
C89 C 0.070(2) 0.2330(18) 0.5242(15) 0.095(5) Uani 1 1 d . U . . .
H89A H 0.018487 0.286044 0.494204 0.114 Uiso 1 1 calc R U . . .
H89B H 0.048684 0.216979 0.577629 0.114 Uiso 1 1 calc R U . . .
C90 C 0.058(2) 0.1573(16) 0.4926(13) 0.080(4) Uani 1 1 d . U . . .
H90A H 0.032545 0.106761 0.531403 0.096 Uiso 1 1 calc R U . . .
H90B H 0.003532 0.175997 0.447557 0.096 Uiso 1 1 calc R U . . .
C91 C 0.1858(19) 0.1398(13) 0.4730(12) 0.073(3) Uani 1 1 d . U . . .
H91 H 0.205915 0.084228 0.463867 0.087 Uiso 1 1 calc R U . . .
C92 C 0.212(2) 0.2193(16) 0.4073(14) 0.072(4) Uani 1 1 d . U . . .
C93 C 0.258(2) 0.1482(15) 0.5357(13) 0.078(4) Uani 1 1 d . U . . .
C94 C 0.239(2) 0.0857(17) 0.6133(13) 0.096(6) Uani 1 1 d . U . . .
H94A H 0.276609 0.102375 0.651905 0.145 Uiso 1 1 calc R U . . .
H94B H 0.273587 0.027664 0.616901 0.145 Uiso 1 1 calc R U . . .
H94C H 0.153285 0.086721 0.621143 0.145 Uiso 1 1 calc R U . . .
C95 C 0.386(2) 0.136(2) 0.5149(17) 0.104(6) Uani 1 1 d . U . . .
H95A H 0.409260 0.191890 0.484830 0.155 Uiso 1 1 calc R U . . .
H95B H 0.394767 0.097620 0.485335 0.155 Uiso 1 1 calc R U . . .
H95C H 0.437383 0.111243 0.560836 0.155 Uiso 1 1 calc R U . . .
C96 C 0.245(4) 0.294(2) 0.566(2) 0.143(9) Uani 1 1 d . U . . .
H96A H 0.296109 0.334500 0.535223 0.214 Uiso 1 1 calc R U . . .
H96B H 0.290943 0.253037 0.609797 0.214 Uiso 1 1 calc R U . . .
H96C H 0.178672 0.325933 0.582750 0.214 Uiso 1 1 calc R U . . .
C97 C 0.208(3) 0.2456(18) 0.3268(16) 0.099(5) Uani 1 1 d D U . . .
C98 C 0.1408(9) 0.1879(7) 0.2980(6) 0.126(5) Uani 1 1 d DG U . . .
F15 F 0.0665(10) 0.1384(9) 0.3405(7) 0.157(7) Uani 1 1 d DG U . . .
F16 F 0.0811(10) 0.2382(7) 0.2286(7) 0.143(6) Uani 1 1 d DG U . . .
F17 F 0.3042(10) 0.0908(8) 0.3492(6) 0.150 Uani 1 1 d DG U . . .
F18 F 0.3238(9) 0.1872(7) 0.2398(7) 0.150 Uani 1 1 d DG U . . .
F19 F 0.3238(10) 0.0299(8) 0.2355(7) 0.150 Uani 1 1 d DG U . . .
F20 F 0.1424(10) 0.0149(7) 0.2831(7) 0.150 Uani 1 1 d DG U . . .
F21 F 0.1699(10) 0.1189(7) 0.1697(6) 0.150 Uani 1 1 d DG U . . .
C99 C 0.2526(7) 0.1367(6) 0.2827(5) 0.165 Uani 1 1 d DG U . . .
C100 C 0.2097(8) 0.0775(5) 0.2412(5) 0.165 Uani 1 1 d DG U . . .
C101 C 0.2829(17) 0.7627(12) 0.1299(10) 0.056(4) Uani 1 1 d . U . . .
C102 C 0.3076(15) 0.8361(11) 0.1548(10) 0.058(3) Uani 1 1 d . U . . .
C103 C 0.4399(16) 0.8475(14) 0.1379(15) 0.080(5) Uani 1 1 d . U . . .
H10A H 0.492167 0.791896 0.155694 0.096 Uiso 1 1 calc R U . . .
H10B H 0.468613 0.887174 0.160865 0.096 Uiso 1 1 calc R U . . .
C104 C 0.4309(19) 0.8899(14) 0.0432(14) 0.087(6) Uani 1 1 d . U . . .
H10C H 0.450248 0.949477 0.025374 0.105 Uiso 1 1 calc R U . . .
H10D H 0.484150 0.854840 0.020177 0.105 Uiso 1 1 calc R U . . .
C105 C 0.3083(18) 0.8871(12) 0.0274(10) 0.068(4) Uani 1 1 d . U . . .
H105 H 0.279610 0.924441 -0.024819 0.082 Uiso 1 1 calc R U . . .
C106 C 0.280(2) 0.7929(13) 0.0482(11) 0.068(5) Uani 1 1 d . U . . .
C107 C 0.2457(17) 0.9155(13) 0.0891(11) 0.066(4) Uani 1 1 d . U . . .
C108 C 0.1081(15) 0.9090(13) 0.0883(15) 0.079(6) Uani 1 1 d . U . . .
H10E H 0.091736 0.871289 0.060371 0.119 Uiso 1 1 calc R U . . .
H10F H 0.064111 0.966222 0.063784 0.119 Uiso 1 1 calc R U . . .
H10G H 0.083158 0.885323 0.140159 0.119 Uiso 1 1 calc R U . . .
C109 C 0.2559(16) 0.9970(11) 0.0960(13) 0.073(5) Uani 1 1 d . U . . .
H10H H 0.240320 0.994622 0.147721 0.110 Uiso 1 1 calc R U . . .
H10I H 0.197987 1.041050 0.060970 0.110 Uiso 1 1 calc R U . . .
H10J H 0.336308 1.011379 0.083916 0.110 Uiso 1 1 calc R U . . .
C110 C 0.275(2) 0.8222(14) 0.2352(11) 0.077(5) Uani 1 1 d . U . . .
H11A H 0.205032 0.862310 0.235998 0.116 Uiso 1 1 calc R U . . .
H11B H 0.341973 0.832183 0.262870 0.116 Uiso 1 1 calc R U . . .
H11C H 0.258454 0.763184 0.259119 0.116 Uiso 1 1 calc R U . . .
C111 C 0.256(2) 0.7422(15) 0.0047(13) 0.077(4) Uani 1 1 d . U . . .
C112 C 0.240(2) 0.7800(17) -0.0837(13) 0.086(5) Uani 1 1 d . U . . .
C113 C 0.337(3) 0.7614(16) -0.1210(17) 0.108(5) Uani 1 1 d D U . . .
C114 C 0.406(2) 0.6818(14) -0.0950(13) 0.099(5) Uani 1 1 d D U . . .
C115 C -0.0133(15) 0.4429(13) 0.2444(11) 0.051(4) Uani 1 1 d . U . . .
H115 H 0.029462 0.432689 0.290580 0.062 Uiso 1 1 calc R U . . .
C116 C -0.173(2) 0.4109(17) 0.1829(13) 0.081(6) Uani 1 1 d . U . . .
H11D H -0.180798 0.471786 0.151875 0.122 Uiso 1 1 calc R U . . .
H11E H -0.251268 0.394550 0.198016 0.122 Uiso 1 1 calc R U . . .
H11F H -0.136523 0.376289 0.153665 0.122 Uiso 1 1 calc R U . . .
C117 C -0.134(2) 0.3354(18) 0.3154(14) 0.080(7) Uani 1 1 d . U . . .
H11G H -0.204670 0.360070 0.334064 0.121 Uiso 1 1 calc R U . . .
H11H H -0.067593 0.321311 0.352867 0.121 Uiso 1 1 calc R U . . .
H11I H -0.149507 0.283160 0.306515 0.121 Uiso 1 1 calc R U . . .
C118 C 0.5260(18) 0.5561(13) 0.1941(11) 0.054(4) Uani 1 1 d . U . . .
H118 H 0.477579 0.568025 0.149749 0.065 Uiso 1 1 calc R U . . .
C119 C 0.696(2) 0.586(2) 0.2521(14) 0.097(9) Uani 1 1 d . U . . .
H11J H 0.650399 0.576199 0.297730 0.146 Uiso 1 1 calc R U . . .
H11K H 0.733234 0.638657 0.242779 0.146 Uiso 1 1 calc R U . . .
H11L H 0.757761 0.537484 0.258909 0.146 Uiso 1 1 calc R U . . .
C120 C 0.645(3) 0.6559(17) 0.1146(13) 0.082(7) Uani 1 1 d . U . . .
H12A H 0.602389 0.645642 0.074000 0.123 Uiso 1 1 calc R U . . .
H12B H 0.730786 0.646772 0.108308 0.123 Uiso 1 1 calc R U . . .
H12C H 0.621389 0.715055 0.112784 0.123 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.8983(8) . ?
Dy1 O2 2.180(12) . ?
Dy1 O3 2.312(10) . ?
Dy1 O6 2.335(12) . ?
Dy1 O7 2.384(10) . ?
Dy1 O8 2.336(12) . ?
Dy1 O11 2.369(15) . ?
Dy1 N1 2.490(13) . ?
Dy1 N7 2.536(14) . ?
Dy2 O3 2.341(12) . ?
Dy2 O5 2.146(12) . ?
Dy2 O6 2.344(11) . ?
Dy2 O9 2.387(12) . ?
Dy2 O10 2.301(13) . ?
Dy2 O12 2.369(14) . ?
Dy2 N3 2.616(15) . ?
Dy2 N5 2.512(15) . ?
F1 C38 1.35(2) . ?
F2 C38 1.35(2) . ?
F3 C39 1.34(2) . ?
F4 C39 1.38(2) . ?
F5 C40 1.30(2) . ?
F6 C40 1.32(2) . ?
F7 C40 1.35(3) . ?
F8 C52 1.43(3) . ?
F9 C52 1.36(2) . ?
F10 C53 1.24(2) . ?
F11 C53 1.35(3) . ?
F12 C54 1.28(3) . ?
F13 C54 1.38(3) . ?
F14 C54 1.30(3) . ?
O1 C1 1.38(2) . ?
O1 C2 1.34(2) . ?
O2 C7 1.29(2) . ?
O3 C9 1.34(2) . ?
O4 C14 1.46(2) . ?
O4 C15 1.41(2) . ?
O5 C20 1.34(2) . ?
O6 C22 1.30(2) . ?
O7 C27 1.265(19) . ?
O8 C37 1.26(2) . ?
O9 C41 1.25(2) . ?
O10 C51 1.26(2) . ?
O11 C55 1.12(3) . ?
O12 C58 1.28(2) . ?
N1 N2 1.417(17) . ?
N1 C8 1.30(2) . ?
N2 C9 1.26(2) . ?
N3 C10 1.34(2) . ?
N3 C13 1.32(2) . ?
N4 C11 1.31(2) . ?
N4 C12 1.36(3) . ?
N5 N6 1.44(2) . ?
N5 C21 1.24(2) . ?
N6 C22 1.31(2) . ?
N7 C23 1.34(2) . ?
N7 C26 1.36(2) . ?
N8 C24 1.32(3) . ?
N8 C25 1.26(3) . ?
N9 C55 1.29(3) . ?
N9 C56 1.57(3) . ?
N9 C57 1.39(3) . ?
N10 C58 1.32(2) . ?
N10 C59 1.51(3) . ?
N10 C60 1.39(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.37(2) . ?
C2 C7 1.43(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.33(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.42(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.43(2) . ?
C6 C7 1.42(2) . ?
C6 C8 1.46(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.49(2) . ?
C10 C11 1.38(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.34(3) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.38(2) . ?
C15 C20 1.42(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.46(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.34(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.43(2) . ?
C19 C20 1.38(2) . ?
C19 C21 1.46(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.44(2) . ?
C23 C24 1.40(2) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.38(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.51(2) . ?
C27 C32 1.43(2) . ?
C28 C29 1.58(2) . ?
C28 C33 1.57(2) . ?
C28 C36 1.44(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.55(2) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.48(2) . ?
C31 H31 1.0000 . ?
C31 C32 1.56(2) . ?
C31 C33 1.57(2) . ?
C32 C37 1.33(2) . ?
C33 C34 1.54(2) . ?
C33 C35 1.54(2) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.58(2) . ?
C38 C39 1.56(3) . ?
C39 C40 1.48(3) . ?
C41 C42 1.52(3) . ?
C41 C46 1.40(3) . ?
C42 C43 1.55(3) . ?
C42 C47 1.53(3) . ?
C42 C50 1.42(3) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.50(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.51(2) . ?
C45 H45 1.0000 . ?
C45 C46 1.55(2) . ?
C45 C47 1.58(3) . ?
C46 C51 1.38(3) . ?
C47 C48 1.53(3) . ?
C47 C49 1.53(3) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.540(14) . ?
C52 C53 1.57(3) . ?
C53 C54 1.51(3) . ?
C55 H55 0.9500 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58 0.9500 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
Dy3 Dy4 3.8937(7) . ?
Dy3 O14 2.133(12) . ?
Dy3 O15 2.311(11) . ?
Dy3 O18 2.303(11) . ?
Dy3 O19 2.384(13) . ?
Dy3 O20 2.300(15) . ?
Dy3 O23 2.368(13) . ?
Dy3 N11 2.494(14) . ?
Dy3 N17 2.615(15) . ?
Dy4 O15 2.376(13) . ?
Dy4 O17 2.201(14) . ?
Dy4 O18 2.353(11) . ?
Dy4 O21 2.378(13) . ?
Dy4 O22 2.356(13) . ?
Dy4 O24 2.331(13) . ?
Dy4 N13 2.574(16) . ?
Dy4 N15 2.505(13) . ?
F22 C112 1.42(3) . ?
F23 C112 1.25(3) . ?
F24 C113 1.71(4) . ?
F25 C113 1.34(3) . ?
F26 C114 1.35(2) . ?
F27 C114 1.29(2) . ?
F28 C114 1.45(3) . ?
O13 C61 1.38(2) . ?
O13 C62 1.33(2) . ?
O14 C67 1.32(2) . ?
O15 C69 1.28(2) . ?
O16 C74 1.43(2) . ?
O16 C75 1.39(2) . ?
O17 C80 1.29(2) . ?
O18 C82 1.342(19) . ?
O19 C87 1.21(2) . ?
O20 C97 1.24(3) . ?
O21 C101 1.24(2) . ?
O22 C111 1.27(3) . ?
O23 C118 1.21(2) . ?
O24 C115 1.20(2) . ?
N11 N12 1.423(19) . ?
N11 C68 1.292(18) . ?
N12 C69 1.34(2) . ?
N13 C70 1.31(2) . ?
N13 C73 1.37(2) . ?
N14 C71 1.36(2) . ?
N14 C72 1.30(3) . ?
N15 N16 1.443(19) . ?
N15 C81 1.29(2) . ?
N16 C82 1.28(2) . ?
N17 C83 1.36(2) . ?
N17 C86 1.28(2) . ?
N18 C84 1.31(2) . ?
N18 C85 1.34(3) . ?
N19 C118 1.28(2) . ?
N19 C119 1.47(3) . ?
N19 C120 1.46(3) . ?
N20 C115 1.34(2) . ?
N20 C116 1.36(3) . ?
N20 C117 1.45(3) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C63 1.38(2) . ?
C62 C67 1.41(2) . ?
C63 H63 0.9500 . ?
C63 C64 1.40(3) . ?
C64 H64 0.9500 . ?
C64 C65 1.39(3) . ?
C65 H65 0.9500 . ?
C65 C66 1.46(2) . ?
C66 C67 1.44(2) . ?
C66 C68 1.428(18) . ?
C68 H68 0.9500 . ?
C69 C70 1.46(2) . ?
C70 C71 1.40(2) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C72 C73 1.44(3) . ?
C73 H73 0.9500 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.37(3) . ?
C75 C80 1.46(2) . ?
C76 H76 0.9500 . ?
C76 C77 1.37(3) . ?
C77 H77 0.9500 . ?
C77 C78 1.36(3) . ?
C78 H78 0.9500 . ?
C78 C79 1.35(3) . ?
C79 C80 1.39(3) . ?
C79 C81 1.42(2) . ?
C81 H81 0.9500 . ?
C82 C83 1.49(2) . ?
C83 C84 1.39(2) . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C85 C86 1.32(2) . ?
C86 H86 0.9500 . ?
C87 C88 1.46(3) . ?
C87 C92 1.40(3) . ?
C88 C89 1.44(3) . ?
C88 C93 1.59(3) . ?
C88 C96 1.60(4) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.59(4) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C90 C91 1.51(3) . ?
C91 H91 1.0000 . ?
C91 C92 1.54(3) . ?
C91 C93 1.50(3) . ?
C92 C97 1.43(3) . ?
C93 C94 1.52(3) . ?
C93 C95 1.51(3) . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.529(14) . ?
C98 F15 1.328(5) . ?
C98 F16 1.412(5) . ?
C98 C99 1.523(5) . ?
F17 C99 1.321(5) . ?
F18 C99 1.314(5) . ?
F19 C100 1.457(5) . ?
F20 C100 1.394(5) . ?
F21 C100 1.340(5) . ?
C99 C100 1.571(6) . ?
C101 C102 1.51(3) . ?
C101 C106 1.45(3) . ?
C102 C103 1.56(2) . ?
C102 C107 1.56(3) . ?
C102 C110 1.51(3) . ?
C103 H10A 0.9900 . ?
C103 H10B 0.9900 . ?
C103 C104 1.68(3) . ?
C104 H10C 0.9900 . ?
C104 H10D 0.9900 . ?
C104 C105 1.43(3) . ?
C105 H105 1.0000 . ?
C105 C106 1.56(3) . ?
C105 C107 1.54(3) . ?
C106 C111 1.41(3) . ?
C107 C108 1.58(3) . ?
C107 C109 1.43(3) . ?
C108 H10E 0.9800 . ?
C108 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C109 H10H 0.9800 . ?
C109 H10I 0.9800 . ?
C109 H10J 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 C112 1.57(3) . ?
C112 C113 1.36(4) . ?
C113 C114 1.387(14) . ?
C115 H115 0.9500 . ?
C116 H11D 0.9800 . ?
C116 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C117 H11G 0.9800 . ?
C117 H11H 0.9800 . ?
C117 H11I 0.9800 . ?
C118 H118 0.9500 . ?
C119 H11J 0.9800 . ?
C119 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 Dy2 161.4(4) . . ?
O2 Dy1 O3 135.8(4) . . ?
O2 Dy1 O6 149.3(5) . . ?
O2 Dy1 O7 100.6(5) . . ?
O2 Dy1 O8 89.3(5) . . ?
O2 Dy1 O11 83.4(6) . . ?
O2 Dy1 N1 73.5(4) . . ?
O2 Dy1 N7 86.5(5) . . ?
O3 Dy1 Dy2 33.3(3) . . ?
O3 Dy1 O6 67.0(4) . . ?
O3 Dy1 O7 75.5(4) . . ?
O3 Dy1 O8 128.1(5) . . ?
O3 Dy1 O11 79.0(5) . . ?
O3 Dy1 N1 64.1(4) . . ?
O3 Dy1 N7 126.9(4) . . ?
O6 Dy1 Dy2 33.6(3) . . ?
O6 Dy1 O7 106.3(4) . . ?
O6 Dy1 O8 85.7(5) . . ?
O6 Dy1 O11 82.1(5) . . ?
O6 Dy1 N1 130.5(4) . . ?
O6 Dy1 N7 63.7(4) . . ?
O7 Dy1 Dy2 90.4(3) . . ?
O7 Dy1 N1 68.2(4) . . ?
O7 Dy1 N7 136.6(4) . . ?
O8 Dy1 Dy2 108.6(3) . . ?
O8 Dy1 O7 71.1(4) . . ?
O8 Dy1 O11 141.9(5) . . ?
O8 Dy1 N1 131.4(4) . . ?
O8 Dy1 N7 66.2(5) . . ?
O11 Dy1 Dy2 79.3(4) . . ?
O11 Dy1 O7 147.0(5) . . ?
O11 Dy1 N1 81.9(5) . . ?
O11 Dy1 N7 76.1(5) . . ?
N1 Dy1 Dy2 97.2(3) . . ?
N1 Dy1 N7 151.9(4) . . ?
N7 Dy1 Dy2 95.8(3) . . ?
O3 Dy2 Dy1 32.9(3) . . ?
O3 Dy2 O6 66.4(3) . . ?
O3 Dy2 O9 83.8(4) . . ?
O3 Dy2 O12 84.3(5) . . ?
O3 Dy2 N3 64.1(4) . . ?
O3 Dy2 N5 130.4(4) . . ?
O5 Dy2 Dy1 162.8(4) . . ?
O5 Dy2 O3 149.7(5) . . ?
O5 Dy2 O6 137.7(5) . . ?
O5 Dy2 O9 87.8(5) . . ?
O5 Dy2 O10 97.8(5) . . ?
O5 Dy2 O12 83.0(5) . . ?
O5 Dy2 N3 85.8(5) . . ?
O5 Dy2 N5 74.3(5) . . ?
O6 Dy2 Dy1 33.5(3) . . ?
O6 Dy2 O9 128.4(5) . . ?
O6 Dy2 O12 81.0(4) . . ?
O6 Dy2 N3 125.9(4) . . ?
O6 Dy2 N5 64.7(4) . . ?
O9 Dy2 Dy1 108.1(3) . . ?
O9 Dy2 N3 65.5(4) . . ?
O9 Dy2 N5 134.5(5) . . ?
O10 Dy2 Dy1 94.1(3) . . ?
O10 Dy2 O3 106.5(5) . . ?
O10 Dy2 O6 79.3(4) . . ?
O10 Dy2 O9 69.9(4) . . ?
O10 Dy2 O12 151.2(5) . . ?
O10 Dy2 N3 135.0(4) . . ?
O10 Dy2 N5 71.6(5) . . ?
O12 Dy2 Dy1 80.6(3) . . ?
O12 Dy2 O9 138.7(4) . . ?
O12 Dy2 N3 73.8(4) . . ?
O12 Dy2 N5 81.1(5) . . ?
N3 Dy2 Dy1 94.6(3) . . ?
N5 Dy2 Dy1 97.8(3) . . ?
N5 Dy2 N3 149.6(5) . . ?
C2 O1 C1 119.4(17) . . ?
C7 O2 Dy1 142.9(11) . . ?
Dy1 O3 Dy2 113.8(5) . . ?
C9 O3 Dy1 118.9(10) . . ?
C9 O3 Dy2 126.3(10) . . ?
C15 O4 C14 117.3(16) . . ?
C20 O5 Dy2 138.9(11) . . ?
Dy1 O6 Dy2 112.8(5) . . ?
C22 O6 Dy1 126.5(10) . . ?
C22 O6 Dy2 120.3(10) . . ?
C27 O7 Dy1 126.7(9) . . ?
C37 O8 Dy1 131.1(10) . . ?
C41 O9 Dy2 129.6(13) . . ?
C51 O10 Dy2 134.8(11) . . ?
C55 O11 Dy1 148.3(18) . . ?
C58 O12 Dy2 138.1(12) . . ?
N2 N1 Dy1 116.9(9) . . ?
C8 N1 Dy1 129.7(10) . . ?
C8 N1 N2 112.1(13) . . ?
C9 N2 N1 110.8(13) . . ?
C10 N3 Dy2 116.7(10) . . ?
C13 N3 Dy2 125.0(14) . . ?
C13 N3 C10 116.1(16) . . ?
C11 N4 C12 115.0(18) . . ?
N6 N5 Dy2 115.3(10) . . ?
C21 N5 Dy2 128.6(14) . . ?
C21 N5 N6 113.3(16) . . ?
C22 N6 N5 112.1(14) . . ?
C23 N7 Dy1 116.4(10) . . ?
C23 N7 C26 117.4(15) . . ?
C26 N7 Dy1 125.3(13) . . ?
C25 N8 C24 120.1(18) . . ?
C55 N9 C56 125(2) . . ?
C55 N9 C57 121(2) . . ?
C57 N9 C56 112.3(19) . . ?
C58 N10 C59 118.9(17) . . ?
C58 N10 C60 124(2) . . ?
C60 N10 C59 116.7(18) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 125.5(16) . . ?
O1 C2 C7 115.3(15) . . ?
C3 C2 C7 119.2(17) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 C2 122.2(17) . . ?
C4 C3 H3 118.9 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C5 121.2(17) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 118.9(17) . . ?
C6 C5 H5 120.5 . . ?
C5 C6 C8 117.2(15) . . ?
C7 C6 C5 117.7(15) . . ?
C7 C6 C8 125.1(15) . . ?
O2 C7 C2 118.4(16) . . ?
O2 C7 C6 121.4(14) . . ?
C6 C7 C2 120.2(15) . . ?
N1 C8 C6 124.6(15) . . ?
N1 C8 H8 117.7 . . ?
C6 C8 H8 117.7 . . ?
O3 C9 C10 116.0(15) . . ?
N2 C9 O3 125.2(15) . . ?
N2 C9 C10 118.8(15) . . ?
N3 C10 C9 114.9(14) . . ?
N3 C10 C11 120.6(14) . . ?
C11 C10 C9 124.5(16) . . ?
N4 C11 C10 123.1(19) . . ?
N4 C11 H11 118.4 . . ?
C10 C11 H11 118.4 . . ?
N4 C12 H12 119.0 . . ?
C13 C12 N4 121.9(18) . . ?
C13 C12 H12 119.0 . . ?
N3 C13 C12 123(2) . . ?
N3 C13 H13 118.5 . . ?
C12 C13 H13 118.5 . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O4 C15 C20 113.1(16) . . ?
C16 C15 O4 126.1(16) . . ?
C16 C15 C20 120.6(19) . . ?
C15 C16 H16 119.3 . . ?
C15 C16 C17 121(2) . . ?
C17 C16 H16 119.3 . . ?
C16 C17 H17 121.2 . . ?
C18 C17 C16 118(2) . . ?
C18 C17 H17 121.2 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120(2) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C21 114.6(17) . . ?
C20 C19 C18 123.7(17) . . ?
C20 C19 C21 121.5(16) . . ?
O5 C20 C15 117.1(16) . . ?
O5 C20 C19 126.6(15) . . ?
C19 C20 C15 116.3(17) . . ?
N5 C21 C19 127.1(19) . . ?
N5 C21 H21 116.5 . . ?
C19 C21 H21 116.5 . . ?
O6 C22 N6 124.5(15) . . ?
O6 C22 C23 114.9(15) . . ?
N6 C22 C23 120.6(15) . . ?
N7 C23 C22 115.7(14) . . ?
N7 C23 C24 120.3(16) . . ?
C24 C23 C22 124.0(17) . . ?
N8 C24 C23 119.7(19) . . ?
N8 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
N8 C25 H25 118.5 . . ?
N8 C25 C26 123.0(18) . . ?
C26 C25 H25 118.5 . . ?
N7 C26 C25 119.1(19) . . ?
N7 C26 H26 120.4 . . ?
C25 C26 H26 120.4 . . ?
O7 C27 C28 121.4(14) . . ?
O7 C27 C32 127.2(16) . . ?
C32 C27 C28 111.3(14) . . ?
C27 C28 C29 102.8(15) . . ?
C27 C28 C33 97.2(12) . . ?
C33 C28 C29 99.9(13) . . ?
C36 C28 C27 118.2(15) . . ?
C36 C28 C29 117.6(14) . . ?
C36 C28 C33 117.6(15) . . ?
C28 C29 H29A 110.8 . . ?
C28 C29 H29B 110.8 . . ?
H29A C29 H29B 108.9 . . ?
C30 C29 C28 104.9(13) . . ?
C30 C29 H29A 110.8 . . ?
C30 C29 H29B 110.8 . . ?
C29 C30 H30A 111.1 . . ?
C29 C30 H30B 111.1 . . ?
H30A C30 H30B 109.1 . . ?
C31 C30 C29 103.3(13) . . ?
C31 C30 H30A 111.1 . . ?
C31 C30 H30B 111.1 . . ?
C30 C31 H31 114.4 . . ?
C30 C31 C32 107.8(14) . . ?
C30 C31 C33 104.0(13) . . ?
C32 C31 H31 114.4 . . ?
C32 C31 C33 100.5(12) . . ?
C33 C31 H31 114.4 . . ?
C27 C32 C31 101.4(13) . . ?
C37 C32 C27 120.2(16) . . ?
C37 C32 C31 138.2(15) . . ?
C31 C33 C28 94.0(13) . . ?
C34 C33 C28 115.8(13) . . ?
C34 C33 C31 112.7(12) . . ?
C34 C33 C35 108.2(15) . . ?
C35 C33 C28 111.9(12) . . ?
C35 C33 C31 113.9(12) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C28 C36 H36A 109.5 . . ?
C28 C36 H36B 109.5 . . ?
C28 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O8 C37 C32 128.1(15) . . ?
O8 C37 C38 113.9(15) . . ?
C32 C37 C38 117.7(16) . . ?
F1 C38 F2 107.9(17) . . ?
F1 C38 C37 108.8(15) . . ?
F1 C38 C39 105.2(15) . . ?
F2 C38 C37 113.3(15) . . ?
F2 C38 C39 106.6(14) . . ?
C39 C38 C37 114.6(17) . . ?
F3 C39 F4 107.8(15) . . ?
F3 C39 C38 109.5(15) . . ?
F3 C39 C40 107.3(17) . . ?
F4 C39 C38 106.7(16) . . ?
F4 C39 C40 107.1(16) . . ?
C40 C39 C38 118.0(16) . . ?
F5 C40 F6 108.1(18) . . ?
F5 C40 F7 109.5(18) . . ?
F5 C40 C39 111.4(18) . . ?
F6 C40 F7 106.1(18) . . ?
F6 C40 C39 111.2(17) . . ?
F7 C40 C39 110.4(18) . . ?
O9 C41 C42 125.7(19) . . ?
O9 C41 C46 125.3(17) . . ?
C46 C41 C42 108.9(17) . . ?
C41 C42 C43 102.3(18) . . ?
C41 C42 C47 98.9(16) . . ?
C47 C42 C43 100.6(17) . . ?
C50 C42 C41 117(2) . . ?
C50 C42 C43 118(2) . . ?
C50 C42 C47 117(2) . . ?
C42 C43 H43A 110.1 . . ?
C42 C43 H43B 110.1 . . ?
H43A C43 H43B 108.4 . . ?
C44 C43 C42 107.9(17) . . ?
C44 C43 H43A 110.1 . . ?
C44 C43 H43B 110.1 . . ?
C43 C44 H44A 111.7 . . ?
C43 C44 H44B 111.7 . . ?
C43 C44 C45 100.6(15) . . ?
H44A C44 H44B 109.4 . . ?
C45 C44 H44A 111.7 . . ?
C45 C44 H44B 111.7 . . ?
C44 C45 H45 114.9 . . ?
C44 C45 C46 107.9(14) . . ?
C44 C45 C47 103.2(15) . . ?
C46 C45 H45 114.9 . . ?
C46 C45 C47 99.5(13) . . ?
C47 C45 H45 114.9 . . ?
C41 C46 C45 103.7(15) . . ?
C51 C46 C41 120.6(16) . . ?
C51 C46 C45 134.5(17) . . ?
C42 C47 C45 93.4(14) . . ?
C48 C47 C42 113.6(19) . . ?
C48 C47 C45 112.4(15) . . ?
C48 C47 C49 111.2(17) . . ?
C49 C47 C42 116.1(17) . . ?
C49 C47 C45 109.0(18) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C42 C50 H50A 109.5 . . ?
C42 C50 H50B 109.5 . . ?
C42 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O10 C51 C46 124.8(15) . . ?
O10 C51 C52 116.4(17) . . ?
C46 C51 C52 118.6(17) . . ?
F8 C52 C51 108.0(17) . . ?
F8 C52 C53 103.2(17) . . ?
F9 C52 F8 105.6(18) . . ?
F9 C52 C51 112.9(17) . . ?
F9 C52 C53 110.8(17) . . ?
C51 C52 C53 115.3(19) . . ?
F10 C53 F11 109(2) . . ?
F10 C53 C52 111.5(17) . . ?
F10 C53 C54 108.8(18) . . ?
F11 C53 C52 104.8(16) . . ?
F11 C53 C54 110.7(18) . . ?
C54 C53 C52 112(2) . . ?
F12 C54 F13 101(2) . . ?
F12 C54 F14 112(2) . . ?
F12 C54 C53 118(2) . . ?
F13 C54 C53 106(2) . . ?
F14 C54 F13 103(2) . . ?
F14 C54 C53 114(2) . . ?
O11 C55 N9 135(3) . . ?
O11 C55 H55 112.3 . . ?
N9 C55 H55 112.3 . . ?
N9 C56 H56A 109.5 . . ?
N9 C56 H56B 109.5 . . ?
N9 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
N9 C57 H57A 109.5 . . ?
N9 C57 H57B 109.5 . . ?
N9 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
O12 C58 N10 118.5(18) . . ?
O12 C58 H58 120.8 . . ?
N10 C58 H58 120.8 . . ?
N10 C59 H59A 109.5 . . ?
N10 C59 H59B 109.5 . . ?
N10 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
N10 C60 H60A 109.5 . . ?
N10 C60 H60B 109.5 . . ?
N10 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O14 Dy3 Dy4 163.9(3) . . ?
O14 Dy3 O15 136.0(4) . . ?
O14 Dy3 O18 150.0(4) . . ?
O14 Dy3 O19 89.6(5) . . ?
O14 Dy3 O20 99.9(5) . . ?
O14 Dy3 O23 83.9(5) . . ?
O14 Dy3 N11 73.9(5) . . ?
O14 Dy3 N17 85.9(5) . . ?
O15 Dy3 Dy4 34.4(3) . . ?
O15 Dy3 O19 128.3(5) . . ?
O15 Dy3 O23 79.4(5) . . ?
O15 Dy3 N11 63.6(4) . . ?
O15 Dy3 N17 126.8(5) . . ?
O18 Dy3 Dy4 33.7(3) . . ?
O18 Dy3 O15 68.0(4) . . ?
O18 Dy3 O19 81.5(4) . . ?
O18 Dy3 O23 84.5(5) . . ?
O18 Dy3 N11 131.2(4) . . ?
O18 Dy3 N17 64.3(4) . . ?
O19 Dy3 Dy4 105.7(3) . . ?
O19 Dy3 N11 134.9(5) . . ?
O19 Dy3 N17 65.5(5) . . ?
O20 Dy3 Dy4 90.4(4) . . ?
O20 Dy3 O15 78.2(5) . . ?
O20 Dy3 O18 103.6(5) . . ?
O20 Dy3 O19 69.4(5) . . ?
O20 Dy3 O23 151.1(5) . . ?
O20 Dy3 N11 72.5(5) . . ?
O20 Dy3 N17 134.5(5) . . ?
O23 Dy3 Dy4 81.1(4) . . ?
O23 Dy3 O19 139.4(5) . . ?
O23 Dy3 N11 81.3(5) . . ?
O23 Dy3 N17 74.1(5) . . ?
N11 Dy3 Dy4 97.9(3) . . ?
N11 Dy3 N17 149.6(4) . . ?
N17 Dy3 Dy4 95.7(3) . . ?
O15 Dy4 Dy3 33.3(3) . . ?
O15 Dy4 O21 100.2(5) . . ?
O15 Dy4 N13 63.5(5) . . ?
O15 Dy4 N15 131.0(4) . . ?
O17 Dy4 Dy3 161.2(4) . . ?
O17 Dy4 O15 151.0(5) . . ?
O17 Dy4 O18 136.0(5) . . ?
O17 Dy4 O21 104.3(6) . . ?
O17 Dy4 O22 82.3(6) . . ?
O17 Dy4 O24 82.5(6) . . ?
O17 Dy4 N13 88.2(5) . . ?
O17 Dy4 N15 72.9(5) . . ?
O18 Dy4 Dy3 32.9(3) . . ?
O18 Dy4 O15 66.1(4) . . ?
O18 Dy4 O21 73.6(4) . . ?
O18 Dy4 O22 134.1(5) . . ?
O18 Dy4 N13 125.9(5) . . ?
O18 Dy4 N15 65.1(4) . . ?
O21 Dy4 Dy3 87.0(3) . . ?
O21 Dy4 N13 133.5(5) . . ?
O21 Dy4 N15 70.3(4) . . ?
O22 Dy4 Dy3 115.7(4) . . ?
O22 Dy4 O15 90.7(5) . . ?
O22 Dy4 O21 72.4(5) . . ?
O22 Dy4 N13 65.2(5) . . ?
O22 Dy4 N15 127.5(5) . . ?
O24 Dy4 Dy3 80.3(4) . . ?
O24 Dy4 O15 84.1(5) . . ?
O24 Dy4 O18 81.0(4) . . ?
O24 Dy4 O21 149.6(4) . . ?
O24 Dy4 O22 138.0(5) . . ?
O24 Dy4 N13 75.4(5) . . ?
O24 Dy4 N15 84.0(5) . . ?
N13 Dy4 Dy3 94.7(4) . . ?
N15 Dy4 Dy3 97.8(3) . . ?
N15 Dy4 N13 153.8(5) . . ?
C62 O13 C61 120.9(15) . . ?
C67 O14 Dy3 143.2(11) . . ?
Dy3 O15 Dy4 112.4(5) . . ?
C69 O15 Dy3 122.9(11) . . ?
C69 O15 Dy4 123.5(11) . . ?
C75 O16 C74 112.4(16) . . ?
C80 O17 Dy4 140.9(13) . . ?
Dy3 O18 Dy4 113.5(5) . . ?
C82 O18 Dy3 129.1(9) . . ?
C82 O18 Dy4 116.3(9) . . ?
C87 O19 Dy3 130.2(12) . . ?
C97 O20 Dy3 130.0(13) . . ?
C101 O21 Dy4 126.3(13) . . ?
C111 O22 Dy4 129.8(15) . . ?
C118 O23 Dy3 142.0(14) . . ?
C115 O24 Dy4 142.5(14) . . ?
N12 N11 Dy3 117.0(10) . . ?
C68 N11 Dy3 130.7(11) . . ?
C68 N11 N12 110.9(13) . . ?
C69 N12 N11 110.5(13) . . ?
C70 N13 Dy4 118.4(11) . . ?
C70 N13 C73 120.1(16) . . ?
C73 N13 Dy4 120.1(14) . . ?
C72 N14 C71 114.6(18) . . ?
N16 N15 Dy4 116.4(9) . . ?
C81 N15 Dy4 128.8(11) . . ?
C81 N15 N16 114.0(14) . . ?
C82 N16 N15 109.7(13) . . ?
C83 N17 Dy3 115.1(10) . . ?
C86 N17 Dy3 128.9(12) . . ?
C86 N17 C83 115.4(15) . . ?
C84 N18 C85 118.5(18) . . ?
C118 N19 C119 122.1(18) . . ?
C118 N19 C120 122(2) . . ?
C120 N19 C119 116.2(18) . . ?
C115 N20 C116 121.8(18) . . ?
C115 N20 C117 120.7(18) . . ?
C116 N20 C117 117.4(18) . . ?
O13 C61 H61A 109.5 . . ?
O13 C61 H61B 109.5 . . ?
O13 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O13 C62 C63 121.9(15) . . ?
O13 C62 C67 116.9(14) . . ?
C63 C62 C67 121.0(15) . . ?
C62 C63 H63 118.8 . . ?
C62 C63 C64 122.5(17) . . ?
C64 C63 H63 118.8 . . ?
C63 C64 H64 121.2 . . ?
C65 C64 C63 117.5(18) . . ?
C65 C64 H64 121.2 . . ?
C64 C65 H65 118.8 . . ?
C64 C65 C66 122.3(17) . . ?
C66 C65 H65 118.8 . . ?
C67 C66 C65 117.0(15) . . ?
C68 C66 C65 117.2(14) . . ?
C68 C66 C67 125.7(15) . . ?
O14 C67 C62 118.6(15) . . ?
O14 C67 C66 121.7(16) . . ?
C62 C67 C66 119.3(15) . . ?
N11 C68 C66 123.3(15) . . ?
N11 C68 H68 118.3 . . ?
C66 C68 H68 118.3 . . ?
O15 C69 N12 122.3(16) . . ?
O15 C69 C70 119.9(16) . . ?
N12 C69 C70 117.8(15) . . ?
N13 C70 C69 113.3(15) . . ?
N13 C70 C71 120.5(16) . . ?
C71 C70 C69 126.2(17) . . ?
N14 C71 C70 122.9(19) . . ?
N14 C71 H71 118.6 . . ?
C70 C71 H71 118.6 . . ?
N14 C72 H72 117.2 . . ?
N14 C72 C73 126(2) . . ?
C73 C72 H72 117.2 . . ?
N13 C73 C72 116(2) . . ?
N13 C73 H73 121.9 . . ?
C72 C73 H73 121.9 . . ?
O16 C74 H74A 109.5 . . ?
O16 C74 H74B 109.5 . . ?
O16 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
O16 C75 C80 112.1(16) . . ?
C76 C75 O16 129.5(16) . . ?
C76 C75 C80 118.4(18) . . ?
C75 C76 H76 119.4 . . ?
C77 C76 C75 121.1(18) . . ?
C77 C76 H76 119.4 . . ?
C76 C77 H77 119.8 . . ?
C78 C77 C76 120(2) . . ?
C78 C77 H77 119.8 . . ?
C77 C78 H78 119.3 . . ?
C79 C78 C77 121.4(19) . . ?
C79 C78 H78 119.3 . . ?
C78 C79 C80 121.1(16) . . ?
C78 C79 C81 117.6(17) . . ?
C80 C79 C81 121.1(16) . . ?
O17 C80 C75 116.6(17) . . ?
O17 C80 C79 126.1(16) . . ?
C79 C80 C75 117.2(16) . . ?
N15 C81 C79 128.7(18) . . ?
N15 C81 H81 115.6 . . ?
C79 C81 H81 115.6 . . ?
O18 C82 C83 113.3(14) . . ?
N16 C82 O18 128.2(15) . . ?
N16 C82 C83 118.4(15) . . ?
N17 C83 C82 116.8(14) . . ?
N17 C83 C84 120.3(15) . . ?
C84 C83 C82 122.8(15) . . ?
N18 C84 C83 120.1(19) . . ?
N18 C84 H84 119.9 . . ?
C83 C84 H84 119.9 . . ?
N18 C85 H85 120.3 . . ?
C86 C85 N18 119.4(19) . . ?
C86 C85 H85 120.3 . . ?
N17 C86 C85 126.1(19) . . ?
N17 C86 H86 117.0 . . ?
C85 C86 H86 117.0 . . ?
O19 C87 C88 132(2) . . ?
O19 C87 C92 125(2) . . ?
C92 C87 C88 102.6(18) . . ?
C87 C88 C93 103.5(18) . . ?
C87 C88 C96 109(2) . . ?
C89 C88 C87 111(2) . . ?
C89 C88 C93 103.3(19) . . ?
C89 C88 C96 116(2) . . ?
C93 C88 C96 113(2) . . ?
C88 C89 H89A 111.1 . . ?
C88 C89 H89B 111.1 . . ?
C88 C89 C90 103(2) . . ?
H89A C89 H89B 109.1 . . ?
C90 C89 H89A 111.1 . . ?
C90 C89 H89B 111.1 . . ?
C89 C90 H90A 111.9 . . ?
C89 C90 H90B 111.9 . . ?
H90A C90 H90B 109.6 . . ?
C91 C90 C89 99.4(18) . . ?
C91 C90 H90A 111.9 . . ?
C91 C90 H90B 111.9 . . ?
C90 C91 H91 114.3 . . ?
C90 C91 C92 107.2(19) . . ?
C92 C91 H91 114.3 . . ?
C93 C91 C90 104.8(18) . . ?
C93 C91 H91 114.3 . . ?
C93 C91 C92 100.6(17) . . ?
C87 C92 C91 106.6(19) . . ?
C87 C92 C97 115(2) . . ?
C97 C92 C91 136(2) . . ?
C91 C93 C88 88.9(17) . . ?
C91 C93 C94 114.5(18) . . ?
C91 C93 C95 106(2) . . ?
C94 C93 C88 116(2) . . ?
C95 C93 C88 118(2) . . ?
C95 C93 C94 111(2) . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C93 C95 H95A 109.5 . . ?
C93 C95 H95B 109.5 . . ?
C93 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C88 C96 H96A 109.5 . . ?
C88 C96 H96B 109.5 . . ?
C88 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
O20 C97 C92 129.9(17) . . ?
O20 C97 C98 118(2) . . ?
C92 C97 C98 112.0(19) . . ?
F15 C98 C97 121.9(12) . . ?
F15 C98 F16 108.5 . . ?
F15 C98 C99 112.8 . . ?
F16 C98 C97 108.7(13) . . ?
F16 C98 C99 109.1 . . ?
C99 C98 C97 94.8(13) . . ?
C98 C99 C100 106.2 . . ?
F17 C99 C98 106.4 . . ?
F17 C99 C100 111.2 . . ?
F18 C99 C98 111.5 . . ?
F18 C99 F17 111.5 . . ?
F18 C99 C100 109.8 . . ?
F19 C100 C99 99.4 . . ?
F20 C100 F19 104.5 . . ?
F20 C100 C99 116.0 . . ?
F21 C100 F19 104.7 . . ?
F21 C100 F20 115.0 . . ?
F21 C100 C99 114.5 . . ?
O21 C101 C102 126.4(17) . . ?
O21 C101 C106 125.9(18) . . ?
C106 C101 C102 107.6(15) . . ?
C101 C102 C103 105.9(16) . . ?
C101 C102 C107 101.8(16) . . ?
C103 C102 C107 99.5(14) . . ?
C110 C102 C101 112.0(14) . . ?
C110 C102 C103 115.3(18) . . ?
C110 C102 C107 120.4(16) . . ?
C102 C103 H10A 111.6 . . ?
C102 C103 H10B 111.6 . . ?
C102 C103 C104 100.7(16) . . ?
H10A C103 H10B 109.4 . . ?
C104 C103 H10A 111.6 . . ?
C104 C103 H10B 111.6 . . ?
C103 C104 H10C 111.5 . . ?
C103 C104 H10D 111.5 . . ?
H10C C104 H10D 109.3 . . ?
C105 C104 C103 101.4(14) . . ?
C105 C104 H10C 111.5 . . ?
C105 C104 H10D 111.5 . . ?
C104 C105 H105 113.2 . . ?
C104 C105 C106 111.8(18) . . ?
C104 C105 C107 102.4(18) . . ?
C106 C105 H105 113.2 . . ?
C107 C105 H105 113.2 . . ?
C107 C105 C106 101.9(14) . . ?
C101 C106 C105 103.1(17) . . ?
C111 C106 C101 123.7(18) . . ?
C111 C106 C105 133.2(18) . . ?
C102 C107 C108 108.0(16) . . ?
C105 C107 C102 93.6(15) . . ?
C105 C107 C108 112.0(17) . . ?
C109 C107 C102 115.2(18) . . ?
C109 C107 C105 121.7(17) . . ?
C109 C107 C108 105.7(15) . . ?
C107 C108 H10E 109.5 . . ?
C107 C108 H10F 109.5 . . ?
C107 C108 H10G 109.5 . . ?
H10E C108 H10F 109.5 . . ?
H10E C108 H10G 109.5 . . ?
H10F C108 H10G 109.5 . . ?
C107 C109 H10H 109.5 . . ?
C107 C109 H10I 109.5 . . ?
C107 C109 H10J 109.5 . . ?
H10H C109 H10I 109.5 . . ?
H10H C109 H10J 109.5 . . ?
H10I C109 H10J 109.5 . . ?
C102 C110 H11A 109.5 . . ?
C102 C110 H11B 109.5 . . ?
C102 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O22 C111 C106 123(2) . . ?
O22 C111 C112 115(2) . . ?
C106 C111 C112 122(2) . . ?
F22 C112 C111 112(2) . . ?
F23 C112 F22 97(2) . . ?
F23 C112 C111 115(2) . . ?
F23 C112 C113 116(2) . . ?
C113 C112 F22 100(2) . . ?
C113 C112 C111 115(2) . . ?
F25 C113 F24 115(2) . . ?
F25 C113 C112 115(2) . . ?
F25 C113 C114 110(2) . . ?
C112 C113 F24 100(2) . . ?
C112 C113 C114 121(3) . . ?
C114 C113 F24 93(2) . . ?
F26 C114 F28 96(2) . . ?
F26 C114 C113 115(2) . . ?
F27 C114 F26 100(2) . . ?
F27 C114 F28 102.8(19) . . ?
F27 C114 C113 120(3) . . ?
C113 C114 F28 118(2) . . ?
O24 C115 N20 124.4(19) . . ?
O24 C115 H115 117.8 . . ?
N20 C115 H115 117.8 . . ?
N20 C116 H11D 109.5 . . ?
N20 C116 H11E 109.5 . . ?
N20 C116 H11F 109.5 . . ?
H11D C116 H11E 109.5 . . ?
H11D C116 H11F 109.5 . . ?
H11E C116 H11F 109.5 . . ?
N20 C117 H11G 109.5 . . ?
N20 C117 H11H 109.5 . . ?
N20 C117 H11I 109.5 . . ?
H11G C117 H11H 109.5 . . ?
H11G C117 H11I 109.5 . . ?
H11H C117 H11I 109.5 . . ?
O23 C118 N19 127(2) . . ?
O23 C118 H118 116.5 . . ?
N19 C118 H118 116.5 . . ?
N19 C119 H11J 109.5 . . ?
N19 C119 H11K 109.5 . . ?
N19 C119 H11L 109.5 . . ?
H11J C119 H11K 109.5 . . ?
H11J C119 H11L 109.5 . . ?
H11K C119 H11L 109.5 . . ?
N19 C120 H12A 109.5 . . ?
N19 C120 H12B 109.5 . . ?
N19 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 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
Dy1 O2 C7 C2 163.0(15) . . . . ?
Dy1 O2 C7 C6 -18(3) . . . . ?
Dy1 O3 C9 N2 21(2) . . . . ?
Dy1 O3 C9 C10 -156.8(12) . . . . ?
Dy1 O6 C22 N6 170.4(13) . . . . ?
Dy1 O6 C22 C23 -9(2) . . . . ?
Dy1 O7 C27 C28 152.3(11) . . . . ?
Dy1 O7 C27 C32 -33(2) . . . . ?
Dy1 O8 C37 C32 25(3) . . . . ?
Dy1 O8 C37 C38 -159.8(13) . . . . ?
Dy1 O11 C55 N9 -178.1(18) . . . . ?
Dy1 N1 N2 C9 -10.9(18) . . . . ?
Dy1 N1 C8 C6 5(2) . . . . ?
Dy1 N7 C23 C22 15.8(18) . . . . ?
Dy1 N7 C23 C24 -165.9(14) . . . . ?
Dy1 N7 C26 C25 161.6(15) . . . . ?
Dy2 O3 C9 N2 -171.4(15) . . . . ?
Dy2 O3 C9 C10 11(2) . . . . ?
Dy2 O5 C20 C15 -166.0(14) . . . . ?
Dy2 O5 C20 C19 12(3) . . . . ?
Dy2 O6 C22 N6 -17(2) . . . . ?
Dy2 O6 C22 C23 163.9(10) . . . . ?
Dy2 O9 C41 C42 154.3(16) . . . . ?
Dy2 O9 C41 C46 -28(3) . . . . ?
Dy2 O10 C51 C46 17(3) . . . . ?
Dy2 O10 C51 C52 -157.1(15) . . . . ?
Dy2 O12 C58 N10 -173.5(14) . . . . ?
Dy2 N3 C10 C9 -11.6(18) . . . . ?
Dy2 N3 C10 C11 166.4(13) . . . . ?
Dy2 N3 C13 C12 -168.0(17) . . . . ?
Dy2 N5 N6 C22 11.5(18) . . . . ?
Dy2 N5 C21 C19 -19(3) . . . . ?
F1 C38 C39 F3 62.8(19) . . . . ?
F1 C38 C39 F4 -53.7(19) . . . . ?
F1 C38 C39 C40 -174.1(16) . . . . ?
F2 C38 C39 F3 177.2(15) . . . . ?
F2 C38 C39 F4 60.7(18) . . . . ?
F2 C38 C39 C40 -60(2) . . . . ?
F3 C39 C40 F5 64(2) . . . . ?
F3 C39 C40 F6 -57(2) . . . . ?
F3 C39 C40 F7 -174.5(15) . . . . ?
F4 C39 C40 F5 179.2(16) . . . . ?
F4 C39 C40 F6 59(2) . . . . ?
F4 C39 C40 F7 -59(2) . . . . ?
F8 C52 C53 F10 64(2) . . . . ?
F8 C52 C53 F11 -177.3(17) . . . . ?
F8 C52 C53 C54 -57(2) . . . . ?
F9 C52 C53 F10 177.1(19) . . . . ?
F9 C52 C53 F11 -65(2) . . . . ?
F9 C52 C53 C54 55(2) . . . . ?
F10 C53 C54 F12 -52(4) . . . . ?
F10 C53 C54 F13 60(3) . . . . ?
F10 C53 C54 F14 173(2) . . . . ?
F11 C53 C54 F12 -172(2) . . . . ?
F11 C53 C54 F13 -60(3) . . . . ?
F11 C53 C54 F14 52(3) . . . . ?
O1 C2 C3 C4 -176.6(19) . . . . ?
O1 C2 C7 O2 1(2) . . . . ?
O1 C2 C7 C6 -178.1(15) . . . . ?
O3 C9 C10 N3 2(2) . . . . ?
O3 C9 C10 C11 -175.9(16) . . . . ?
O4 C15 C16 C17 -170(2) . . . . ?
O4 C15 C20 O5 -8(3) . . . . ?
O4 C15 C20 C19 173.1(17) . . . . ?
O6 C22 C23 N7 -6(2) . . . . ?
O6 C22 C23 C24 175.9(17) . . . . ?
O7 C27 C28 C29 108.7(17) . . . . ?
O7 C27 C28 C33 -149.3(15) . . . . ?
O7 C27 C28 C36 -23(2) . . . . ?
O7 C27 C32 C31 -175.4(16) . . . . ?
O7 C27 C32 C37 1(3) . . . . ?
O8 C37 C38 F1 -35(2) . . . . ?
O8 C37 C38 F2 -155.0(16) . . . . ?
O8 C37 C38 C39 82(2) . . . . ?
O9 C41 C42 C43 111(2) . . . . ?
O9 C41 C42 C47 -146(2) . . . . ?
O9 C41 C42 C50 -19(4) . . . . ?
O9 C41 C46 C45 -179(2) . . . . ?
O9 C41 C46 C51 -9(3) . . . . ?
O10 C51 C52 F8 -34(3) . . . . ?
O10 C51 C52 F9 -150.5(19) . . . . ?
O10 C51 C52 C53 81(2) . . . . ?
N1 N2 C9 O3 -6(3) . . . . ?
N1 N2 C9 C10 172.1(14) . . . . ?
N2 N1 C8 C6 171.6(15) . . . . ?
N2 C9 C10 N3 -175.9(17) . . . . ?
N2 C9 C10 C11 6(3) . . . . ?
N3 C10 C11 N4 1(3) . . . . ?
N4 C12 C13 N3 6(4) . . . . ?
N5 N6 C22 O6 2(2) . . . . ?
N5 N6 C22 C23 -178.4(14) . . . . ?
N6 N5 C21 C19 -178.4(18) . . . . ?
N6 C22 C23 N7 174.8(16) . . . . ?
N6 C22 C23 C24 -3(3) . . . . ?
N7 C23 C24 N8 -1(3) . . . . ?
N8 C25 C26 N7 8(3) . . . . ?
C1 O1 C2 C3 -2(3) . . . . ?
C1 O1 C2 C7 -180(2) . . . . ?
C2 C3 C4 C5 -7(3) . . . . ?
C3 C2 C7 O2 -177.2(17) . . . . ?
C3 C2 C7 C6 4(2) . . . . ?
C3 C4 C5 C6 8(3) . . . . ?
C4 C5 C6 C7 -3(2) . . . . ?
C4 C5 C6 C8 176.6(16) . . . . ?
C5 C6 C7 O2 178.7(16) . . . . ?
C5 C6 C7 C2 -3(2) . . . . ?
C5 C6 C8 N1 -174.7(15) . . . . ?
C7 C2 C3 C4 1(3) . . . . ?
C7 C6 C8 N1 5(3) . . . . ?
C8 N1 N2 C9 -179.3(15) . . . . ?
C8 C6 C7 O2 -1(3) . . . . ?
C8 C6 C7 C2 177.4(15) . . . . ?
C9 C10 C11 N4 178.3(19) . . . . ?
C10 N3 C13 C12 -6(3) . . . . ?
C11 N4 C12 C13 -2(3) . . . . ?
C12 N4 C11 C10 -1(3) . . . . ?
C13 N3 C10 C9 -175.5(17) . . . . ?
C13 N3 C10 C11 2(3) . . . . ?
C14 O4 C15 C16 -10(3) . . . . ?
C14 O4 C15 C20 176.0(17) . . . . ?
C15 C16 C17 C18 -6(4) . . . . ?
C16 C15 C20 O5 178(2) . . . . ?
C16 C15 C20 C19 -1(3) . . . . ?
C16 C17 C18 C19 6(4) . . . . ?
C17 C18 C19 C20 -4(4) . . . . ?
C17 C18 C19 C21 -179(2) . . . . ?
C18 C19 C20 O5 -177(2) . . . . ?
C18 C19 C20 C15 1(3) . . . . ?
C18 C19 C21 N5 -177(2) . . . . ?
C20 C15 C16 C17 3(3) . . . . ?
C20 C19 C21 N5 8(3) . . . . ?
C21 N5 N6 C22 173.9(17) . . . . ?
C21 C19 C20 O5 -3(3) . . . . ?
C21 C19 C20 C15 175.6(18) . . . . ?
C22 C23 C24 N8 177.3(18) . . . . ?
C23 N7 C26 C25 -7(3) . . . . ?
C24 N8 C25 C26 -5(4) . . . . ?
C25 N8 C24 C23 2(3) . . . . ?
C26 N7 C23 C22 -174.6(15) . . . . ?
C26 N7 C23 C24 4(3) . . . . ?
C27 C28 C29 C30 67.6(18) . . . . ?
C27 C28 C33 C31 -53.1(13) . . . . ?
C27 C28 C33 C34 -170.6(14) . . . . ?
C27 C28 C33 C35 64.7(16) . . . . ?
C27 C32 C37 O8 4(3) . . . . ?
C27 C32 C37 C38 -170.4(17) . . . . ?
C28 C27 C32 C31 -0.1(18) . . . . ?
C28 C27 C32 C37 176.1(16) . . . . ?
C28 C29 C30 C31 -2.5(19) . . . . ?
C29 C28 C33 C31 51.4(14) . . . . ?
C29 C28 C33 C34 -66.2(17) . . . . ?
C29 C28 C33 C35 169.2(14) . . . . ?
C29 C30 C31 C32 -69.1(17) . . . . ?
C29 C30 C31 C33 37.0(17) . . . . ?
C30 C31 C32 C27 73.0(17) . . . . ?
C30 C31 C32 C37 -102(3) . . . . ?
C30 C31 C33 C28 -56.2(13) . . . . ?
C30 C31 C33 C34 63.9(17) . . . . ?
C30 C31 C33 C35 -172.3(13) . . . . ?
C31 C32 C37 O8 179(2) . . . . ?
C31 C32 C37 C38 4(3) . . . . ?
C32 C27 C28 C29 -66.9(17) . . . . ?
C32 C27 C28 C33 35.0(17) . . . . ?
C32 C27 C28 C36 161.7(16) . . . . ?
C32 C31 C33 C28 55.3(13) . . . . ?
C32 C31 C33 C34 175.4(14) . . . . ?
C32 C31 C33 C35 -60.8(16) . . . . ?
C32 C37 C38 F1 140.4(18) . . . . ?
C32 C37 C38 F2 20(3) . . . . ?
C32 C37 C38 C39 -102(2) . . . . ?
C33 C28 C29 C30 -32.2(18) . . . . ?
C33 C31 C32 C27 -35.5(16) . . . . ?
C33 C31 C32 C37 150(2) . . . . ?
C36 C28 C29 C30 -160.7(16) . . . . ?
C36 C28 C33 C31 179.8(14) . . . . ?
C36 C28 C33 C34 62.3(19) . . . . ?
C36 C28 C33 C35 -62.4(19) . . . . ?
C37 C38 C39 F3 -57(2) . . . . ?
C37 C38 C39 F4 -173.1(15) . . . . ?
C37 C38 C39 C40 66(2) . . . . ?
C38 C39 C40 F5 -61(2) . . . . ?
C38 C39 C40 F6 178.8(17) . . . . ?
C38 C39 C40 F7 61(2) . . . . ?
C41 C42 C43 C44 71(2) . . . . ?
C41 C42 C47 C45 -53.9(16) . . . . ?
C41 C42 C47 C48 -170.1(18) . . . . ?
C41 C42 C47 C49 59(2) . . . . ?
C41 C46 C51 O10 16(3) . . . . ?
C41 C46 C51 C52 -170(2) . . . . ?
C42 C41 C46 C45 -1(2) . . . . ?
C42 C41 C46 C51 168.7(18) . . . . ?
C42 C43 C44 C45 -5(2) . . . . ?
C43 C42 C47 C45 50.4(16) . . . . ?
C43 C42 C47 C48 -66(2) . . . . ?
C43 C42 C47 C49 163.6(19) . . . . ?
C43 C44 C45 C46 -66.2(19) . . . . ?
C43 C44 C45 C47 38.5(17) . . . . ?
C44 C45 C46 C41 73.2(19) . . . . ?
C44 C45 C46 C51 -94(2) . . . . ?
C44 C45 C47 C42 -56.8(15) . . . . ?
C44 C45 C47 C48 60(2) . . . . ?
C44 C45 C47 C49 -175.8(15) . . . . ?
C45 C46 C51 O10 -178.2(18) . . . . ?
C45 C46 C51 C52 -4(3) . . . . ?
C46 C41 C42 C43 -66(2) . . . . ?
C46 C41 C42 C47 37(2) . . . . ?
C46 C41 C42 C50 163(2) . . . . ?
C46 C45 C47 C42 54.3(15) . . . . ?
C46 C45 C47 C48 171.5(17) . . . . ?
C46 C45 C47 C49 -64.8(18) . . . . ?
C46 C51 C52 F8 151.5(18) . . . . ?
C46 C51 C52 F9 35(3) . . . . ?
C46 C51 C52 C53 -94(2) . . . . ?
C47 C42 C43 C44 -31(2) . . . . ?
C47 C45 C46 C41 -34.2(18) . . . . ?
C47 C45 C46 C51 159(2) . . . . ?
C50 C42 C43 C44 -159(2) . . . . ?
C50 C42 C47 C45 179.7(19) . . . . ?
C50 C42 C47 C48 64(3) . . . . ?
C50 C42 C47 C49 -67(3) . . . . ?
C51 C52 C53 F10 -53(3) . . . . ?
C51 C52 C53 F11 65(2) . . . . ?
C51 C52 C53 C54 -175.0(19) . . . . ?
C52 C53 C54 F12 72(3) . . . . ?
C52 C53 C54 F13 -176.2(19) . . . . ?
C52 C53 C54 F14 -64(3) . . . . ?
C56 N9 C55 O11 -16(5) . . . . ?
C57 N9 C55 O11 -180(3) . . . . ?
C59 N10 C58 O12 177.3(19) . . . . ?
C60 N10 C58 O12 -4(3) . . . . ?
Dy3 O14 C67 C62 -169.5(13) . . . . ?
Dy3 O14 C67 C66 3(3) . . . . ?
Dy3 O15 C69 N12 -21(2) . . . . ?
Dy3 O15 C69 C70 158.1(11) . . . . ?
Dy3 O18 C82 N16 -172.9(13) . . . . ?
Dy3 O18 C82 C83 9.7(18) . . . . ?
Dy3 O19 C87 C88 149.5(18) . . . . ?
Dy3 O19 C87 C92 -33(3) . . . . ?
Dy3 O20 C97 C92 14(5) . . . . ?
Dy3 O20 C97 C98 -174.0(12) . . . . ?
Dy3 O23 C118 N19 -175.0(14) . . . . ?
Dy3 N11 N12 C69 9.3(18) . . . . ?
Dy3 N11 C68 C66 -12(2) . . . . ?
Dy3 N17 C83 C82 -8.7(17) . . . . ?
Dy3 N17 C83 C84 168.3(13) . . . . ?
Dy3 N17 C86 C85 -165.3(17) . . . . ?
Dy4 O15 C69 N12 173.4(12) . . . . ?
Dy4 O15 C69 C70 -8(2) . . . . ?
Dy4 O17 C80 C75 167.1(15) . . . . ?
Dy4 O17 C80 C79 -16(3) . . . . ?
Dy4 O18 C82 N16 20(2) . . . . ?
Dy4 O18 C82 C83 -157.7(9) . . . . ?
Dy4 O21 C101 C102 148.5(14) . . . . ?
Dy4 O21 C101 C106 -36(3) . . . . ?
Dy4 O22 C111 C106 34(3) . . . . ?
Dy4 O22 C111 C112 -142.8(17) . . . . ?
Dy4 O24 C115 N20 179.6(15) . . . . ?
Dy4 N13 C70 C69 10.9(19) . . . . ?
Dy4 N13 C70 C71 -169.0(13) . . . . ?
Dy4 N13 C73 C72 170.7(16) . . . . ?
Dy4 N15 N16 C82 -12.9(16) . . . . ?
Dy4 N15 C81 C79 3(3) . . . . ?
F22 C112 C113 F24 178.7(16) . . . . ?
F22 C112 C113 F25 55(3) . . . . ?
F22 C112 C113 C114 -81(3) . . . . ?
F23 C112 C113 F24 76(3) . . . . ?
F23 C112 C113 F25 -48(4) . . . . ?
F23 C112 C113 C114 176(3) . . . . ?
F24 C113 C114 F26 165(2) . . . . ?
F24 C113 C114 F27 45(3) . . . . ?
F24 C113 C114 F28 -82(3) . . . . ?
F25 C113 C114 F26 -77(3) . . . . ?
F25 C113 C114 F27 163(2) . . . . ?
F25 C113 C114 F28 36(4) . . . . ?
O13 C62 C63 C64 -179.6(17) . . . . ?
O13 C62 C67 O14 -9(2) . . . . ?
O13 C62 C67 C66 178.9(15) . . . . ?
O15 C69 C70 N13 -3(2) . . . . ?
O15 C69 C70 C71 177.1(17) . . . . ?
O16 C75 C76 C77 175.7(18) . . . . ?
O16 C75 C80 O17 2(2) . . . . ?
O16 C75 C80 C79 -174.7(15) . . . . ?
O18 C82 C83 N17 1.0(19) . . . . ?
O18 C82 C83 C84 -175.9(15) . . . . ?
O19 C87 C88 C89 105(3) . . . . ?
O19 C87 C88 C93 -145(2) . . . . ?
O19 C87 C88 C96 -24(4) . . . . ?
O19 C87 C92 C91 -179.1(19) . . . . ?
O19 C87 C92 C97 -11(3) . . . . ?
O20 C97 C98 F15 -154(2) . . . . ?
O20 C97 C98 F16 -27(3) . . . . ?
O20 C97 C98 C99 85(3) . . . . ?
O21 C101 C102 C103 105(2) . . . . ?
O21 C101 C102 C107 -151.6(19) . . . . ?
O21 C101 C102 C110 -22(3) . . . . ?
O21 C101 C106 C105 -174.6(19) . . . . ?
O21 C101 C106 C111 5(4) . . . . ?
O22 C111 C112 F22 30(3) . . . . ?
O22 C111 C112 F23 140(3) . . . . ?
O22 C111 C112 C113 -82(3) . . . . ?
N11 N12 C69 O15 6(2) . . . . ?
N11 N12 C69 C70 -172.8(14) . . . . ?
N12 N11 C68 C66 -177.8(15) . . . . ?
N12 C69 C70 N13 176.0(16) . . . . ?
N12 C69 C70 C71 -4(3) . . . . ?
N13 C70 C71 N14 -1(3) . . . . ?
N14 C72 C73 N13 -4(4) . . . . ?
N15 N16 C82 O18 -4(2) . . . . ?
N15 N16 C82 C83 173.4(12) . . . . ?
N16 N15 C81 C79 172.3(16) . . . . ?
N16 C82 C83 N17 -176.7(14) . . . . ?
N16 C82 C83 C84 6(2) . . . . ?
N17 C83 C84 N18 2(3) . . . . ?
N18 C85 C86 N17 -5(4) . . . . ?
C61 O13 C62 C63 -4(3) . . . . ?
C61 O13 C62 C67 -178.2(16) . . . . ?
C62 C63 C64 C65 6(3) . . . . ?
C63 C62 C67 O14 176.7(16) . . . . ?
C63 C62 C67 C66 4(3) . . . . ?
C63 C64 C65 C66 -6(3) . . . . ?
C64 C65 C66 C67 5(3) . . . . ?
C64 C65 C66 C68 -176.6(18) . . . . ?
C65 C66 C67 O14 -176.4(17) . . . . ?
C65 C66 C67 C62 -4(3) . . . . ?
C65 C66 C68 N11 -177.6(17) . . . . ?
C67 C62 C63 C64 -5(3) . . . . ?
C67 C66 C68 N11 0(3) . . . . ?
C68 N11 N12 C69 177.2(15) . . . . ?
C68 C66 C67 O14 6(3) . . . . ?
C68 C66 C67 C62 178.0(15) . . . . ?
C69 C70 C71 N14 179.5(19) . . . . ?
C70 N13 C73 C72 5(3) . . . . ?
C71 N14 C72 C73 1(4) . . . . ?
C72 N14 C71 C70 2(3) . . . . ?
C73 N13 C70 C69 177.3(16) . . . . ?
C73 N13 C70 C71 -3(3) . . . . ?
C74 O16 C75 C76 -3(3) . . . . ?
C74 O16 C75 C80 177.5(17) . . . . ?
C75 C76 C77 C78 4(3) . . . . ?
C76 C75 C80 O17 -176.8(17) . . . . ?
C76 C75 C80 C79 6(3) . . . . ?
C76 C77 C78 C79 -4(3) . . . . ?
C77 C78 C79 C80 5(3) . . . . ?
C77 C78 C79 C81 -179.7(17) . . . . ?
C78 C79 C80 O17 177.0(18) . . . . ?
C78 C79 C80 C75 -6(3) . . . . ?
C78 C79 C81 N15 -172.4(17) . . . . ?
C80 C75 C76 C77 -5(3) . . . . ?
C80 C79 C81 N15 3(3) . . . . ?
C81 N15 N16 C82 176.5(14) . . . . ?
C81 C79 C80 O17 2(3) . . . . ?
C81 C79 C80 C75 179.0(15) . . . . ?
C82 C83 C84 N18 178.5(17) . . . . ?
C83 N17 C86 C85 5(3) . . . . ?
C84 N18 C85 C86 2(3) . . . . ?
C85 N18 C84 C83 -1(3) . . . . ?
C86 N17 C83 C82 179.5(15) . . . . ?
C86 N17 C83 C84 -3(2) . . . . ?
C87 C88 C89 C90 73(2) . . . . ?
C87 C88 C93 C91 -57.3(19) . . . . ?
C87 C88 C93 C94 -174.3(19) . . . . ?
C87 C88 C93 C95 50(3) . . . . ?
C87 C92 C97 O20 22(5) . . . . ?
C87 C92 C97 C98 -151(2) . . . . ?
C88 C87 C92 C91 -1(2) . . . . ?
C88 C87 C92 C97 167(2) . . . . ?
C88 C89 C90 C91 1(2) . . . . ?
C89 C88 C93 C91 58(2) . . . . ?
C89 C88 C93 C94 -59(3) . . . . ?
C89 C88 C93 C95 165(2) . . . . ?
C89 C90 C91 C92 -67(2) . . . . ?
C89 C90 C91 C93 39(2) . . . . ?
C90 C91 C92 C87 72(2) . . . . ?
C90 C91 C92 C97 -93(4) . . . . ?
C90 C91 C93 C88 -58.1(18) . . . . ?
C90 C91 C93 C94 60(3) . . . . ?
C90 C91 C93 C95 -176.7(19) . . . . ?
C91 C92 C97 O20 -174(3) . . . . ?
C91 C92 C97 C98 13(5) . . . . ?
C92 C87 C88 C89 -73(2) . . . . ?
C92 C87 C88 C93 37(2) . . . . ?
C92 C87 C88 C96 158(2) . . . . ?
C92 C91 C93 C88 53.0(18) . . . . ?
C92 C91 C93 C94 172(2) . . . . ?
C92 C91 C93 C95 -66(2) . . . . ?
C92 C97 C98 F15 19(3) . . . . ?
C92 C97 C98 F16 147(2) . . . . ?
C92 C97 C98 C99 -101(2) . . . . ?
C93 C88 C89 C90 -37(2) . . . . ?
C93 C91 C92 C87 -37(2) . . . . ?
C93 C91 C92 C97 158(3) . . . . ?
C96 C88 C89 C90 -162(2) . . . . ?
C96 C88 C93 C91 -176(2) . . . . ?
C96 C88 C93 C94 67(3) . . . . ?
C96 C88 C93 C95 -69(3) . . . . ?
C97 C98 C99 F17 68.7(12) . . . . ?
C97 C98 C99 F18 -53.2(12) . . . . ?
C97 C98 C99 C100 -172.8(12) . . . . ?
C98 C99 C100 F19 -176.4 . . . . ?
C98 C99 C100 F20 -65.1 . . . . ?
C98 C99 C100 F21 72.6 . . . . ?
F15 C98 C99 F17 -59.0 . . . . ?
F15 C98 C99 F18 179.2 . . . . ?
F15 C98 C99 C100 59.6 . . . . ?
F16 C98 C99 F17 -179.6 . . . . ?
F16 C98 C99 F18 58.6 . . . . ?
F16 C98 C99 C100 -61.1 . . . . ?
F17 C99 C100 F19 -61.0 . . . . ?
F17 C99 C100 F20 50.2 . . . . ?
F17 C99 C100 F21 -172.1 . . . . ?
F18 C99 C100 F19 62.9 . . . . ?
F18 C99 C100 F20 174.2 . . . . ?
F18 C99 C100 F21 -48.1 . . . . ?
C101 C102 C103 C104 71.9(18) . . . . ?
C101 C102 C107 C105 -51.2(16) . . . . ?
C101 C102 C107 C108 63.3(18) . . . . ?
C101 C102 C107 C109 -178.9(15) . . . . ?
C101 C106 C111 O22 -3(4) . . . . ?
C101 C106 C111 C112 173(2) . . . . ?
C102 C101 C106 C105 2(2) . . . . ?
C102 C101 C106 C111 -179(2) . . . . ?
C102 C103 C104 C105 -4(2) . . . . ?
C103 C102 C107 C105 57.3(18) . . . . ?
C103 C102 C107 C108 171.8(17) . . . . ?
C103 C102 C107 C109 -70(2) . . . . ?
C103 C104 C105 C106 -67(2) . . . . ?
C103 C104 C105 C107 41.5(19) . . . . ?
C104 C105 C106 C101 73(2) . . . . ?
C104 C105 C106 C111 -107(3) . . . . ?
C104 C105 C107 C102 -63.4(17) . . . . ?
C104 C105 C107 C108 -174.5(17) . . . . ?
C104 C105 C107 C109 59(2) . . . . ?
C105 C106 C111 O22 177(2) . . . . ?
C105 C106 C111 C112 -7(4) . . . . ?
C106 C101 C102 C103 -71(2) . . . . ?
C106 C101 C102 C107 32.1(19) . . . . ?
C106 C101 C102 C110 162.1(18) . . . . ?
C106 C105 C107 C102 52.3(18) . . . . ?
C106 C105 C107 C108 -59(2) . . . . ?
C106 C105 C107 C109 175.0(19) . . . . ?
C106 C111 C112 F22 -146(2) . . . . ?
C106 C111 C112 F23 -37(4) . . . . ?
C106 C111 C112 C113 102(3) . . . . ?
C107 C102 C103 C104 -33.4(19) . . . . ?
C107 C105 C106 C101 -36(2) . . . . ?
C107 C105 C106 C111 145(3) . . . . ?
C110 C102 C103 C104 -163.7(17) . . . . ?
C110 C102 C107 C105 -175.8(17) . . . . ?
C110 C102 C107 C108 -61(2) . . . . ?
C110 C102 C107 C109 57(2) . . . . ?
C111 C112 C113 F24 -62(3) . . . . ?
C111 C112 C113 F25 175(2) . . . . ?
C111 C112 C113 C114 38(4) . . . . ?
C112 C113 C114 F26 62(4) . . . . ?
C112 C113 C114 F27 -58(4) . . . . ?
C112 C113 C114 F28 175(3) . . . . ?
C116 N20 C115 O24 -4(3) . . . . ?
C117 N20 C115 O24 -179(2) . . . . ?
C119 N19 C118 O23 -2(4) . . . . ?
C120 N19 C118 O23 178(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.426
_oxdiff_exptl_absorpt_empirical_full_min 0.719
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.968(17)
2 0.032(17)

_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2308020'
loop_
_audit_author_name
_audit_author_address
'Cai-Ming Liu'
;Institute of Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-11-15 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_audit_creation_date             2023-10-01
_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         'C60 H62 Dy2 F14 N10 O12'
_chemical_formula_sum            'C60 H62 Dy2 F14 N10 O12'
_chemical_formula_weight         1706.19
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNOFDy
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'
Dy Dy -0.1892 4.4098 '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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   11.3419(2)
_cell_length_b                   16.6925(3)
_cell_length_c                   18.8529(4)
_cell_angle_alpha                70.521(2)
_cell_angle_beta                 89.7460(10)
_cell_angle_gamma                82.7060(10)
_cell_volume                     3335.05(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    61148
_cell_measurement_temperature    170.01(10)
_cell_measurement_theta_max      36.4850
_cell_measurement_theta_min      1.7790
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.329
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1692
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            89540
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.530
_diffrn_reflns_theta_min         1.812
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00  65.00   0.50    3.00    --  -20.00  45.00   0.00  340
  2  ω   -105.00  65.00   0.50    3.00    --  -20.00  45.00  90.00  340
  3  ω   -105.00  65.00   0.50    3.00    --  -20.00  45.00 180.00  340
  4  ω    -97.00  73.00   0.50    3.00    --   -8.00  45.00 270.00  340
  5  ω   -125.00  45.00   0.50    3.00    --  -40.00  45.00   0.00  340
  6  ω   -125.00  45.00   0.50    3.00    --  -40.00  45.00  45.00  340
  7  ω   -125.00  45.00   0.50    3.00    --  -40.00  45.00 135.00  340
  8  ω   -125.00  45.00   0.50    3.00    --  -40.00  45.00 205.00  340
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0301895000
_diffrn_orient_matrix_UB_12      -0.0268878000
_diffrn_orient_matrix_UB_13      0.0297759000
_diffrn_orient_matrix_UB_21      -0.0272620000
_diffrn_orient_matrix_UB_22      0.0364403000
_diffrn_orient_matrix_UB_23      0.0081296000
_diffrn_orient_matrix_UB_31      -0.0482387000
_diffrn_orient_matrix_UB_32      0.0041512000
_diffrn_orient_matrix_UB_33      -0.0253473000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                23781
_reflns_number_total             24878
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         2.013
_refine_diff_density_min         -1.975
_refine_diff_density_rms         0.139
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.018(17)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1724
_refine_ls_number_reflns         24878
_refine_ls_number_restraints     1192
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0628
_refine_ls_restrained_S_all      1.139
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1214P)²+11.6924P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1722
_refine_ls_wR_factor_ref         0.1747
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C97-C98 = C51-C52
 1.54 with sigma of 0.01
 C68-C66 = C68-N11
 1.38 with sigma of 0.02
 F26-C114
 1.38 with sigma of 0.02
 F17-C99 = F18-C99 = F16-C98 = F15-C98 = F19-C100 = F20-C100 = F21-C100
 1.38 with sigma of 0.02
 F27-C114
 1.38 with sigma of 0.02
 C18-C17 = C18-C19 = C17-C16 = C16-C15 = C20-C19 = C15-C20
 1.39 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C115) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C113) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F23) \\sim Ueq, Uanis(F28) \\sim Ueq, Uanis(F22) \\sim Ueq, Uanis(F27)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C97) \\sim Ueq, Uanis(C96) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C88)
\\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C93) \\sim Ueq,
Uanis(C95) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C92) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(O20) \\sim Ueq, Uanis(O19) \\sim Ueq, Uanis(C95) \\sim Ueq: with sigma of
0.002 and sigma for terminal atoms of 0.005
Uanis(C56) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(C57)
\\sim Ueq, Uanis(O22) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.005
Uanis(F15) \\sim Ueq, Uanis(F16) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C98) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C73) \\sim Ueq, Uanis(C74) \\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C17) \\sim Ueq,
Uanis(C20) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C48)
\\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq,
Uanis(C13) \\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C111)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F26) \\sim Ueq, Uanis(C110) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(F24) \\sim Ueq, Uanis(F11) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C60)
\\sim Ueq, Uanis(N18) \\sim Ueq: with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(C99) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) \\sim Ueq, Uanis(F20)
\\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(F21) \\sim Ueq, Uanis(F19) \\sim Ueq:
with sigma of 0.002 and sigma for terminal atoms of 0.005
5. Rigid body (RIGU) restrains
 O19, O20, C87, C88, C89, C90, C91, C92, C93, C94, C95, C96, C97
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed U11: F17(0.13896) F18(0.13896) F19(0.13896) F20(0.13896) F21(0.13896)
 C99(0.150165) C100(0.150165)
 Fixed U12: F17(-0.006694) F18(-0.006694) F19(-0.006694) F20(-0.006694) F21(-
 0.006694) C99(0.006686) C100(0.006686)
 Fixed U13: F17(-0.049305) F18(-0.049305) F19(-0.049305) F20(-0.049305) F21(-
 0.049305) C99(0.018585) C100(0.018585)
 Fixed U22: F17(0.133669) F18(0.133669) F19(0.133669) F20(0.133669)
 F21(0.133669) C99(0.165388) C100(0.165388)
 Fixed U23: F17(-0.031485) F18(-0.031485) F19(-0.031485) F20(-0.031485) F21(-
 0.031485) C99(0.021595) C100(0.021595)
 Fixed U33: F17(0.1202) F18(0.1202) F19(0.1202) F20(0.1202) F21(0.1202)
 C99(0.15) C100(0.15)
7.a :
 C98(F15,F16,F17,F18,F19,F20,F21,C99,C100)
7.b Ternary CH refined with riding coordinates:
 C31(H31), C45(H45), C91(H91), C105(H105)
7.c Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C30(H30A,H30B), C43(H43A,H43B), C44(H44A,H44B), C89(H89A,
 H89B), C90(H90A,H90B), C103(H10A,H10B), C104(H10C,H10D)
7.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C16(H16),
 C17(H17), C18(H18), C21(H21), C24(H24), C25(H25), C26(H26), C55(H55), C58(H58),
  C63(H63), C64(H64), C65(H65), C68(H68), C71(H71), C72(H72), C73(H73),
 C76(H76), C77(H77), C78(H78), C81(H81), C84(H84), C85(H85), C86(H86),
 C115(H115), C118(H118)
7.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C), C36(H36A,H36B,H36C), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C), C50(H50A,
 H50B,H50C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C59(H59A,H59B,H59C),
 C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C74(H74A,H74B,H74C), C94(H94A,H94B,
 H94C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C), C108(H10E,H10F,H10G),
 C109(H10H,H10I,H10J), C110(H11A,H11B,H11C), C116(H11D,H11E,H11F), C117(H11G,
 H11H,H11I), C119(H11J,H11K,H11L), C120(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_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
Dy1 Dy 0.30903(4) 0.59365(3) 0.21287(3) 0.03361(17) Uani 1 1 d . U . . .
Dy2 Dy 0.17535(5) 0.40405(3) 0.35646(3) 0.03836(19) Uani 1 1 d . U . . .
F1 F 0.0419(11) 0.6842(7) -0.0131(6) 0.071(3) Uani 1 1 d . U . . .
F2 F -0.0174(9) 0.8174(8) -0.0237(5) 0.063(3) Uani 1 1 d . U . . .
F3 F 0.2638(12) 0.7218(8) -0.0482(7) 0.089(4) Uani 1 1 d . U . . .
F4 F 0.1211(13) 0.7918(9) -0.1313(6) 0.086(4) Uani 1 1 d . U . . .
F5 F 0.2681(13) 0.8640(11) -0.0087(7) 0.085(4) Uani 1 1 d . U . . .
F6 F 0.2996(13) 0.8805(9) -0.1221(7) 0.090(4) Uani 1 1 d . U . . .
F7 F 0.1327(15) 0.9309(8) -0.0923(9) 0.097(4) Uani 1 1 d . U . . .
F8 F 0.4592(15) 0.2110(9) 0.2760(8) 0.104(5) Uani 1 1 d . U . . .
F9 F 0.5234(11) 0.1170(9) 0.3851(8) 0.090(4) Uani 1 1 d . U . . .
F10 F 0.2422(13) 0.1539(10) 0.2964(11) 0.112(5) Uani 1 1 d . U . . .
F11 F 0.3054(16) 0.0604(10) 0.4040(9) 0.107(4) Uani 1 1 d . U . . .
F12 F 0.412(2) 0.0847(11) 0.2232(9) 0.137(7) Uani 1 1 d . U . . .
F13 F 0.302(2) 0.0000(12) 0.2881(13) 0.144(6) Uani 1 1 d . U . . .
F14 F 0.4741(17) -0.0052(11) 0.3291(10) 0.117(5) Uani 1 1 d . U . . .
O1 O 0.5354(11) 0.7605(8) 0.0331(6) 0.051(3) Uani 1 1 d . U . . .
O2 O 0.4349(12) 0.6773(9) 0.1556(6) 0.051(3) Uani 1 1 d . U . . .
O3 O 0.2671(11) 0.5270(7) 0.3373(6) 0.044(2) Uani 1 1 d . U . . .
O4 O -0.0538(11) 0.2360(8) 0.5369(7) 0.059(3) Uani 1 1 d . U . . .
O5 O 0.0521(11) 0.3185(8) 0.4176(7) 0.052(3) Uani 1 1 d . U . . .
O6 O 0.2209(11) 0.4697(7) 0.2320(6) 0.044(2) Uani 1 1 d . U . . .
O7 O 0.1618(9) 0.6931(7) 0.2405(5) 0.041(2) Uani 1 1 d . U . . .
O8 O 0.1763(11) 0.6575(7) 0.1086(6) 0.050(3) Uani 1 1 d . U . . .
O9 O 0.3077(11) 0.3475(7) 0.4651(6) 0.049(2) Uani 1 1 d . U . . .
O10 O 0.3164(10) 0.2995(7) 0.3412(6) 0.048(2) Uani 1 1 d . U . . .
O11 O 0.4831(13) 0.4943(9) 0.2557(8) 0.060(3) Uani 1 1 d . U . . .
O12 O -0.0011(12) 0.5036(8) 0.3148(7) 0.056(3) Uani 1 1 d . U . . .
N1 N 0.3871(10) 0.6548(8) 0.3052(6) 0.036(2) Uani 1 1 d . U . . .
N2 N 0.3388(11) 0.6291(8) 0.3778(6) 0.036(2) Uani 1 1 d . U . . .
N3 N 0.1380(12) 0.4787(9) 0.4579(8) 0.043(3) Uani 1 1 d . U . . .
N4 N 0.1492(18) 0.5423(14) 0.5762(10) 0.070(5) Uani 1 1 d . U . . .
N5 N 0.0948(12) 0.3450(8) 0.2626(8) 0.048(3) Uani 1 1 d . U . . .
N6 N 0.1443(14) 0.3706(10) 0.1902(8) 0.047(3) Uani 1 1 d . U . . .
N7 N 0.3398(13) 0.5246(9) 0.1122(8) 0.044(3) Uani 1 1 d . U . . .
N8 N 0.3225(19) 0.4672(13) -0.0091(11) 0.071(5) Uani 1 1 d . U . . .
N9 N 0.6347(14) 0.3915(12) 0.3078(11) 0.064(4) Uani 1 1 d . U . . .
N10 N -0.1544(13) 0.5973(11) 0.2530(9) 0.055(3) Uani 1 1 d . U . . .
C1 C 0.587(2) 0.8045(16) -0.0367(11) 0.070(6) Uani 1 1 d . U . . .
H1A H 0.563070 0.782224 -0.075738 0.106 Uiso 1 1 calc R U . . .
H1B H 0.673654 0.795118 -0.030108 0.106 Uiso 1 1 calc R U . . .
H1C H 0.558550 0.865989 -0.051880 0.106 Uiso 1 1 calc R U . . .
C2 C 0.5433(13) 0.7888(10) 0.0928(9) 0.039(3) Uani 1 1 d . U . . .
C3 C 0.5969(16) 0.8585(11) 0.0926(11) 0.051(4) Uani 1 1 d . U . . .
H3 H 0.634645 0.888896 0.048482 0.061 Uiso 1 1 calc R U . . .
C4 C 0.5975(17) 0.8847(12) 0.1519(10) 0.055(4) Uani 1 1 d . U . . .
H4 H 0.628703 0.935878 0.148816 0.065 Uiso 1 1 calc R U . . .
C5 C 0.5499(14) 0.8338(10) 0.2209(10) 0.047(3) Uani 1 1 d . U . . .
H5 H 0.556006 0.848752 0.265077 0.056 Uiso 1 1 calc R U . . .
C6 C 0.4957(12) 0.7638(10) 0.2233(8) 0.038(3) Uani 1 1 d . U . . .
C7 C 0.4881(12) 0.7405(9) 0.1577(8) 0.036(3) Uani 1 1 d . U . . .
C8 C 0.4483(12) 0.7157(10) 0.2949(8) 0.037(3) Uani 1 1 d . U . . .
H8 H 0.464812 0.731640 0.337308 0.044 Uiso 1 1 calc R U . . .
C9 C 0.2769(14) 0.5680(10) 0.3866(7) 0.039(3) Uani 1 1 d . U . . .
C10 C 0.2064(13) 0.5394(10) 0.4552(8) 0.040(3) Uani 1 1 d . U . . .
C11 C 0.2109(16) 0.5706(12) 0.5153(10) 0.054(4) Uani 1 1 d . U . . .
H11 H 0.259934 0.613623 0.512271 0.065 Uiso 1 1 calc R U . . .
C12 C 0.0805(18) 0.4825(14) 0.5755(11) 0.062(4) Uani 1 1 d . U . . .
H12 H 0.030830 0.462109 0.616570 0.075 Uiso 1 1 calc R U . . .
C13 C 0.0794(18) 0.4507(13) 0.5194(11) 0.057(4) Uani 1 1 d . U . . .
H13 H 0.033653 0.405362 0.524271 0.068 Uiso 1 1 calc R U . . .
C14 C -0.100(2) 0.1850(17) 0.6057(13) 0.070(6) Uani 1 1 d . U . . .
H14A H -0.186588 0.187927 0.599193 0.105 Uiso 1 1 calc R U . . .
H14B H -0.082859 0.207030 0.646118 0.105 Uiso 1 1 calc R U . . .
H14C H -0.063229 0.125361 0.618866 0.105 Uiso 1 1 calc R U . . .
C15 C -0.0569(16) 0.2067(12) 0.4777(10) 0.056(4) Uani 1 1 d D U . . .
C16 C -0.111(2) 0.1361(14) 0.4755(13) 0.068(5) Uani 1 1 d D U . . .
H16 H -0.139525 0.098683 0.520143 0.081 Uiso 1 1 calc R U . . .
C17 C -0.122(2) 0.1206(17) 0.4042(12) 0.077(5) Uani 1 1 d D U . . .
H17 H -0.164102 0.075465 0.402441 0.092 Uiso 1 1 calc R U . . .
C18 C -0.076(2) 0.1680(14) 0.3417(12) 0.071(5) Uani 1 1 d D U . . .
H18 H -0.083165 0.156494 0.295946 0.085 Uiso 1 1 calc R U . . .
C19 C -0.0151(16) 0.2363(12) 0.3449(10) 0.057(4) Uani 1 1 d D U . . .
C20 C -0.0044(14) 0.2567(11) 0.4105(9) 0.051(3) Uani 1 1 d D U . . .
C21 C 0.0412(17) 0.2802(12) 0.2744(11) 0.053(4) Uani 1 1 d . U . . .
H21 H 0.036763 0.257889 0.234465 0.063 Uiso 1 1 calc R U . . .
C22 C 0.2076(14) 0.4321(9) 0.1819(8) 0.039(3) Uani 1 1 d . U . . .
C23 C 0.2684(14) 0.4649(10) 0.1132(9) 0.044(3) Uani 1 1 d . U . . .
C24 C 0.2617(19) 0.4388(12) 0.0499(10) 0.060(4) Uani 1 1 d . U . . .
H24 H 0.209784 0.398199 0.050567 0.072 Uiso 1 1 calc R U . . .
C25 C 0.3878(19) 0.5280(14) -0.0121(11) 0.066(5) Uani 1 1 d . U . . .
H25 H 0.425793 0.554097 -0.057424 0.080 Uiso 1 1 calc R U . . .
C26 C 0.4032(17) 0.5557(12) 0.0497(10) 0.053(4) Uani 1 1 d . U . . .
H26 H 0.457018 0.595462 0.047780 0.064 Uiso 1 1 calc R U . . .
C27 C 0.1151(13) 0.7663(11) 0.1960(8) 0.042(3) Uani 1 1 d . U . . .
C28 C 0.0690(14) 0.8381(11) 0.2224(9) 0.043(3) Uani 1 1 d . U . . .
C29 C -0.0712(16) 0.8418(15) 0.2128(11) 0.064(5) Uani 1 1 d . U . . .
H29A H -0.096183 0.784177 0.235191 0.077 Uiso 1 1 calc R U . . .
H29B H -0.114524 0.881208 0.236247 0.077 Uiso 1 1 calc R U . . .
C30 C -0.0927(15) 0.8760(12) 0.1259(10) 0.057(4) Uani 1 1 d . U . . .
H30A H -0.134742 0.836602 0.109159 0.068 Uiso 1 1 calc R U . . .
H30B H -0.140557 0.933450 0.109288 0.068 Uiso 1 1 calc R U . . .
C31 C 0.0286(14) 0.8806(10) 0.0951(9) 0.050(3) Uani 1 1 d . U . . .
H31 H 0.030876 0.915455 0.040592 0.061 Uiso 1 1 calc R U . . .
C32 C 0.0924(14) 0.7876(11) 0.1172(8) 0.041(3) Uani 1 1 d . U . . .
C33 C 0.0944(14) 0.9139(10) 0.1503(8) 0.047(3) Uani 1 1 d . U . . .
C34 C 0.0409(17) 1.0027(10) 0.1502(10) 0.060(4) Uani 1 1 d . U . . .
H34A H -0.032762 0.998190 0.177770 0.090 Uiso 1 1 calc R U . . .
H34B H 0.023467 1.040872 0.098152 0.090 Uiso 1 1 calc R U . . .
H34C H 0.097703 1.025887 0.174512 0.090 Uiso 1 1 calc R U . . .
C35 C 0.2297(14) 0.9142(11) 0.1389(9) 0.050(3) Uani 1 1 d . U . . .
H35A H 0.267369 0.923026 0.181870 0.075 Uiso 1 1 calc R U . . .
H35B H 0.242701 0.960565 0.092577 0.075 Uiso 1 1 calc R U . . .
H35C H 0.264655 0.859098 0.134934 0.075 Uiso 1 1 calc R U . . .
C36 C 0.1151(15) 0.8368(12) 0.2953(9) 0.055(4) Uani 1 1 d . U . . .
H36A H 0.077772 0.795444 0.335929 0.082 Uiso 1 1 calc R U . . .
H36B H 0.096920 0.893997 0.299502 0.082 Uiso 1 1 calc R U . . .
H36C H 0.201479 0.820029 0.299371 0.082 Uiso 1 1 calc R U . . .
C37 C 0.1215(14) 0.7297(10) 0.0814(8) 0.040(3) Uani 1 1 d . U . . .
C38 C 0.0787(18) 0.7537(11) -0.0023(9) 0.055(3) Uani 1 1 d . U . . .
C39 C 0.1717(17) 0.7837(11) -0.0620(9) 0.058(3) Uani 1 1 d . U . . .
C40 C 0.2181(18) 0.8668(14) -0.0712(10) 0.065(4) Uani 1 1 d . U . . .
C41 C 0.3569(18) 0.2719(11) 0.4977(10) 0.054(4) Uani 1 1 d . U . . .
C42 C 0.4000(19) 0.2325(13) 0.5796(11) 0.062(4) Uani 1 1 d . U . . .
C43 C 0.535(2) 0.2210(15) 0.5738(13) 0.072(4) Uani 1 1 d . U . . .
H43A H 0.574906 0.207518 0.623780 0.087 Uiso 1 1 calc R U . . .
H43B H 0.561502 0.273760 0.538808 0.087 Uiso 1 1 calc R U . . .
C44 C 0.5638(15) 0.1462(12) 0.5439(11) 0.060(4) Uani 1 1 d . U . . .
H44A H 0.607911 0.095456 0.582377 0.071 Uiso 1 1 calc R U . . .
H44B H 0.610352 0.162564 0.497926 0.071 Uiso 1 1 calc R U . . .
C45 C 0.4366(14) 0.1294(10) 0.5265(10) 0.054(3) Uani 1 1 d . U . . .
H45 H 0.431957 0.073342 0.518944 0.065 Uiso 1 1 calc R U . . .
C46 C 0.3825(14) 0.2086(10) 0.4626(9) 0.043(3) Uani 1 1 d . U . . .
C47 C 0.3703(16) 0.1424(12) 0.5955(11) 0.067(4) Uani 1 1 d . U . . .
C48 C 0.415(2) 0.0781(14) 0.6710(12) 0.080(5) Uani 1 1 d . U . . .
H48A H 0.500471 0.078846 0.677646 0.119 Uiso 1 1 calc R U . . .
H48B H 0.400989 0.020626 0.673015 0.119 Uiso 1 1 calc R U . . .
H48C H 0.372667 0.093053 0.711158 0.119 Uiso 1 1 calc R U . . .
C49 C 0.234(2) 0.1331(16) 0.5857(15) 0.085(6) Uani 1 1 d . U . . .
H49A H 0.188873 0.146689 0.625781 0.127 Uiso 1 1 calc R U . . .
H49B H 0.226365 0.074229 0.588752 0.127 Uiso 1 1 calc R U . . .
H49C H 0.201638 0.172858 0.536628 0.127 Uiso 1 1 calc R U . . .
C50 C 0.341(3) 0.2789(18) 0.6287(14) 0.095(6) Uani 1 1 d . U . . .
H50A H 0.360917 0.337689 0.612207 0.143 Uiso 1 1 calc R U . . .
H50B H 0.369800 0.249188 0.681030 0.143 Uiso 1 1 calc R U . . .
H50C H 0.254954 0.280162 0.624873 0.143 Uiso 1 1 calc R U . . .
C51 C 0.3699(15) 0.2301(10) 0.3856(9) 0.046(3) Uani 1 1 d D U . . .
C52 C 0.426(2) 0.1667(12) 0.3482(11) 0.062(4) Uani 1 1 d D U . . .
C53 C 0.338(2) 0.1085(13) 0.3346(12) 0.080(4) Uani 1 1 d . U . . .
C54 C 0.390(3) 0.0486(16) 0.2910(15) 0.090(5) Uani 1 1 d . U . . .
C55 C 0.530(2) 0.4381(13) 0.3039(14) 0.068(5) Uani 1 1 d . U . . .
H55 H 0.487246 0.422176 0.348727 0.081 Uiso 1 1 calc R U . . .
C56 C 0.740(2) 0.4108(17) 0.2569(14) 0.085(6) Uani 1 1 d . U . . .
H56A H 0.757493 0.366501 0.233477 0.128 Uiso 1 1 calc R U . . .
H56B H 0.810227 0.411305 0.287075 0.128 Uiso 1 1 calc R U . . .
H56C H 0.720998 0.466908 0.217670 0.128 Uiso 1 1 calc R U . . .
C57 C 0.661(3) 0.326(2) 0.3767(18) 0.099(7) Uani 1 1 d . U . . .
H57A H 0.694009 0.349223 0.412494 0.149 Uiso 1 1 calc R U . . .
H57B H 0.718605 0.280775 0.369812 0.149 Uiso 1 1 calc R U . . .
H57C H 0.587653 0.302478 0.396172 0.149 Uiso 1 1 calc R U . . .
C58 C -0.0434(14) 0.5592(12) 0.2549(11) 0.052(4) Uani 1 1 d . U . . .
H58 H 0.002811 0.574032 0.211358 0.062 Uiso 1 1 calc R U . . .
C59 C -0.2079(19) 0.6629(14) 0.1804(13) 0.070(5) Uani 1 1 d . U . . .
H59A H -0.207126 0.720613 0.182780 0.105 Uiso 1 1 calc R U . . .
H59B H -0.290102 0.653869 0.173224 0.105 Uiso 1 1 calc R U . . .
H59C H -0.161300 0.656885 0.138180 0.105 Uiso 1 1 calc R U . . .
C60 C -0.226(2) 0.5799(15) 0.3170(13) 0.074(5) Uani 1 1 d . U . . .
H60A H -0.240572 0.519903 0.333008 0.111 Uiso 1 1 calc R U . . .
H60B H -0.302229 0.617477 0.303971 0.111 Uiso 1 1 calc R U . . .
H60C H -0.185043 0.590328 0.358013 0.111 Uiso 1 1 calc R U . . .
Dy3 Dy 0.64340(4) 0.59174(3) 0.70558(3) 0.03359(17) Uani 1 1 d . U . . .
Dy4 Dy 0.84836(5) 0.40502(3) 0.85266(3) 0.03545(18) Uani 1 1 d . U . . .
F22 F 0.8464(14) 0.2618(13) 1.1099(9) 0.120(5) Uani 1 1 d . U . . .
F23 F 0.817(2) 0.1477(14) 1.1076(12) 0.152(6) Uani 1 1 d . U . . .
F24 F 0.5645(18) 0.1903(13) 1.0901(13) 0.133(6) Uani 1 1 d . U . . .
F25 F 0.6795(15) 0.2143(12) 1.1974(8) 0.119(5) Uani 1 1 d . U . . .
F26 F 0.656(2) 0.3850(16) 1.0936(16) 0.172(7) Uani 1 1 d D U . . .
F27 F 0.5434(16) 0.3487(14) 1.0280(10) 0.132(5) Uani 1 1 d D U . . .
F28 F 0.498(2) 0.3354(16) 1.1419(13) 0.162(7) Uani 1 1 d . U . . .
O13 O 0.3559(10) 0.7590(8) 0.5224(6) 0.050(3) Uani 1 1 d . U . . .
O14 O 0.4945(10) 0.6780(8) 0.6436(6) 0.046(2) Uani 1 1 d . U . . .
O15 O 0.7064(10) 0.5269(7) 0.8313(6) 0.042(2) Uani 1 1 d . U . . .
O16 O 1.1418(12) 0.2436(9) 1.0324(7) 0.060(3) Uani 1 1 d . U . . .
O17 O 1.0092(12) 0.3209(9) 0.9110(7) 0.057(3) Uani 1 1 d . U . . .
O18 O 0.7784(10) 0.4683(6) 0.7263(6) 0.0368(19) Uani 1 1 d . U . . .
O19 O 0.7594(12) 0.6442(8) 0.5981(7) 0.060(2) Uani 1 1 d . U . . .
O20 O 0.7642(13) 0.6855(10) 0.7226(8) 0.066(3) Uani 1 1 d . U . . .
O21 O 0.7285(11) 0.3090(7) 0.8286(7) 0.052(2) Uani 1 1 d . U . . .
O22 O 0.7620(15) 0.3351(9) 0.9663(8) 0.077(4) Uani 1 1 d . U . . .
O23 O 0.5016(12) 0.4952(9) 0.7487(7) 0.055(3) Uani 1 1 d . U . . .
O24 O 0.9831(12) 0.5030(9) 0.8108(7) 0.053(3) Uani 1 1 d . U . . .
N11 N 0.5453(11) 0.6554(8) 0.7958(6) 0.039(2) Uani 1 1 d D U . . .
N12 N 0.6011(13) 0.6322(9) 0.8683(7) 0.043(3) Uani 1 1 d . U . . .
N13 N 0.8489(12) 0.4798(10) 0.9509(7) 0.045(3) Uani 1 1 d . U . . .
N14 N 0.817(2) 0.5466(15) 1.0692(11) 0.077(5) Uani 1 1 d . U . . .
N15 N 0.9480(10) 0.3388(8) 0.7628(7) 0.038(2) Uani 1 1 d . U . . .
N16 N 0.8902(12) 0.3605(9) 0.6909(7) 0.039(3) Uani 1 1 d . U . . .
N17 N 0.6333(11) 0.5139(9) 0.6070(7) 0.039(2) Uani 1 1 d . U . . .
N18 N 0.6671(15) 0.4410(12) 0.4960(9) 0.057(4) Uani 1 1 d . U . . .
N19 N 0.3841(13) 0.4006(10) 0.8152(9) 0.051(3) Uani 1 1 d . U . . .
N20 N 1.1034(13) 0.6000(10) 0.7554(8) 0.050(3) Uani 1 1 d . U . . .
C61 C 0.2891(16) 0.8015(15) 0.4554(9) 0.058(5) Uani 1 1 d . U . . .
H61A H 0.311339 0.773077 0.418491 0.087 Uiso 1 1 calc R U . . .
H61B H 0.304735 0.861196 0.435587 0.087 Uiso 1 1 calc R U . . .
H61C H 0.204287 0.800006 0.465029 0.087 Uiso 1 1 calc R U . . .
C62 C 0.3405(12) 0.7866(9) 0.5814(8) 0.034(3) Uani 1 1 d . U . . .
C63 C 0.2543(15) 0.8540(10) 0.5805(9) 0.041(3) Uani 1 1 d . U . . .
H63 H 0.205607 0.883110 0.536254 0.050 Uiso 1 1 calc R U . . .
C64 C 0.2378(16) 0.8800(12) 0.6441(10) 0.050(4) Uani 1 1 d . U . . .
H64 H 0.180102 0.927107 0.642790 0.060 Uiso 1 1 calc R U . . .
C65 C 0.3082(15) 0.8349(11) 0.7090(9) 0.045(3) Uani 1 1 d . U . . .
H65 H 0.298698 0.852599 0.751865 0.054 Uiso 1 1 calc R U . . .
C66 C 0.3949(13) 0.7624(9) 0.7131(7) 0.037(3) Uani 1 1 d D U . . .
C67 C 0.4095(13) 0.7388(10) 0.6472(8) 0.037(3) Uani 1 1 d . U . . .
C68 C 0.4623(12) 0.7202(9) 0.7832(8) 0.036(3) Uani 1 1 d D U . . .
H68 H 0.444551 0.741517 0.823347 0.044 Uiso 1 1 calc R U . . .
C69 C 0.6819(14) 0.5685(10) 0.8777(8) 0.037(3) Uani 1 1 d . U . . .
C70 C 0.7594(15) 0.5417(10) 0.9474(8) 0.041(3) Uani 1 1 d . U . . .
C71 C 0.7455(18) 0.5740(11) 1.0067(8) 0.052(4) Uani 1 1 d . U . . .
H71 H 0.681720 0.618307 1.002614 0.063 Uiso 1 1 calc R U . . .
C72 C 0.9029(19) 0.4855(17) 1.0714(11) 0.070(6) Uani 1 1 d . U . . .
H72 H 0.956496 0.465047 1.114092 0.083 Uiso 1 1 calc R U . . .
C73 C 0.9219(19) 0.4473(14) 1.0132(11) 0.060(4) Uani 1 1 d . U . . .
H73 H 0.983347 0.401087 1.018574 0.072 Uiso 1 1 calc R U . . .
C74 C 1.224(2) 0.2043(16) 1.0955(12) 0.073(6) Uani 1 1 d . U . . .
H74A H 1.305370 0.207876 1.078452 0.110 Uiso 1 1 calc R U . . .
H74B H 1.212689 0.143981 1.119022 0.110 Uiso 1 1 calc R U . . .
H74C H 1.209697 0.234080 1.132204 0.110 Uiso 1 1 calc R U . . .
C75 C 1.1624(15) 0.2119(11) 0.9734(9) 0.049(3) Uani 1 1 d . U . . .
C76 C 1.2403(17) 0.1430(14) 0.9722(12) 0.062(5) Uani 1 1 d . U . . .
H76 H 1.285210 0.108987 1.016831 0.074 Uiso 1 1 calc R U . . .
C77 C 1.2552(16) 0.1222(11) 0.9095(12) 0.056(4) Uani 1 1 d . U . . .
H77 H 1.312827 0.075526 0.909644 0.067 Uiso 1 1 calc R U . . .
C78 C 1.1888(15) 0.1672(11) 0.8462(11) 0.051(3) Uani 1 1 d . U . . .
H78 H 1.200769 0.151404 0.802476 0.061 Uiso 1 1 calc R U . . .
C79 C 1.1043(13) 0.2352(10) 0.8431(10) 0.045(3) Uani 1 1 d . U . . .
C80 C 1.0831(14) 0.2587(10) 0.9063(9) 0.045(3) Uani 1 1 d . U . . .
C81 C 1.0356(15) 0.2772(11) 0.7755(10) 0.047(3) Uani 1 1 d . U . . .
H81 H 1.056147 0.258033 0.734391 0.057 Uiso 1 1 calc R U . . .
C82 C 0.8031(12) 0.4244(10) 0.6803(7) 0.034(3) Uani 1 1 d . U . . .
C83 C 0.7232(12) 0.4507(10) 0.6127(8) 0.037(3) Uani 1 1 d . U . . .
C84 C 0.7417(16) 0.4140(13) 0.5555(9) 0.054(4) Uani 1 1 d . U . . .
H84 H 0.806716 0.370615 0.559536 0.064 Uiso 1 1 calc R U . . .
C85 C 0.5779(17) 0.5042(13) 0.4922(10) 0.055(4) Uani 1 1 d . U . . .
H85 H 0.525099 0.525942 0.449141 0.066 Uiso 1 1 calc R U . . .
C86 C 0.5623(15) 0.5368(10) 0.5477(9) 0.045(3) Uani 1 1 d . U . . .
H86 H 0.495670 0.578958 0.543728 0.054 Uiso 1 1 calc R U . . .
C87 C 0.7817(17) 0.7159(12) 0.5660(12) 0.064(4) Uani 1 1 d . U . . .
C88 C 0.804(2) 0.7559(16) 0.4833(14) 0.082(4) Uani 1 1 d . U . . .
C89 C 0.929(2) 0.7637(18) 0.4772(16) 0.095(5) Uani 1 1 d . U . . .
H89A H 0.952381 0.778382 0.424169 0.114 Uiso 1 1 calc R U . . .
H89B H 0.977836 0.709877 0.507935 0.114 Uiso 1 1 calc R U . . .
C90 C 0.942(2) 0.8388(17) 0.5084(14) 0.082(5) Uani 1 1 d . U . . .
H90A H 0.999328 0.819899 0.552150 0.098 Uiso 1 1 calc R U . . .
H90B H 0.968047 0.888799 0.468962 0.098 Uiso 1 1 calc R U . . .
C91 C 0.814(2) 0.8599(14) 0.5315(13) 0.077(4) Uani 1 1 d . U . . .
H91 H 0.797559 0.916047 0.540309 0.093 Uiso 1 1 calc R U . . .
C92 C 0.784(2) 0.7824(16) 0.5967(14) 0.072(4) Uani 1 1 d . U . . .
C93 C 0.737(2) 0.8519(16) 0.4677(14) 0.084(4) Uani 1 1 d . U . . .
C94 C 0.759(3) 0.9146(19) 0.3880(16) 0.106(7) Uani 1 1 d . U . . .
H94A H 0.718352 0.899116 0.349681 0.159 Uiso 1 1 calc R U . . .
H94B H 0.844768 0.910672 0.379598 0.159 Uiso 1 1 calc R U . . .
H94C H 0.728341 0.973381 0.384538 0.159 Uiso 1 1 calc R U . . .
C95 C 0.615(2) 0.868(2) 0.4912(18) 0.102(6) Uani 1 1 d . U . . .
H95A H 0.611465 0.909266 0.517687 0.153 Uiso 1 1 calc R U . . .
H95B H 0.591720 0.813692 0.524802 0.153 Uiso 1 1 calc R U . . .
H95C H 0.560809 0.890230 0.446660 0.153 Uiso 1 1 calc R U . . .
C96 C 0.728(4) 0.720(3) 0.431(2) 0.135(9) Uani 1 1 d . U . . .
H96A H 0.691271 0.670554 0.463249 0.202 Uiso 1 1 calc R U . . .
H96B H 0.780208 0.701733 0.396406 0.202 Uiso 1 1 calc R U . . .
H96C H 0.665057 0.764904 0.402526 0.202 Uiso 1 1 calc R U . . .
C97 C 0.794(3) 0.7507(18) 0.6752(16) 0.098(5) Uani 1 1 d D U . . .
C98 C 0.8599(10) 0.8085(7) 0.7044(6) 0.123(5) Uani 1 1 d DG U . . .
F15 F 0.9312(11) 0.8599(9) 0.6606(7) 0.161(8) Uani 1 1 d DG U . . .
F16 F 0.9223(11) 0.7601(8) 0.7733(8) 0.143(6) Uani 1 1 d DG U . . .
F17 F 0.6922(11) 0.9018(8) 0.6542(6) 0.150 Uani 1 1 d DG U . . .
F18 F 0.6782(10) 0.8051(8) 0.7645(7) 0.150 Uani 1 1 d DG U . . .
F19 F 0.6708(11) 0.9638(8) 0.7673(7) 0.150 Uani 1 1 d DG U . . .
F20 F 0.8503(11) 0.9831(7) 0.7176(7) 0.150 Uani 1 1 d DG U . . .
F21 F 0.8288(11) 0.8786(8) 0.8321(6) 0.150 Uani 1 1 d DG U . . .
C99 C 0.7463(8) 0.8575(6) 0.7204(5) 0.165 Uani 1 1 d DG U . . .
C100 C 0.7866(9) 0.9186(6) 0.7608(5) 0.165 Uani 1 1 d DG U . . .
C101 C 0.7165(16) 0.2368(10) 0.8709(10) 0.051(3) Uani 1 1 d . U . . .
C102 C 0.6964(14) 0.1617(10) 0.8458(10) 0.053(3) Uani 1 1 d . U . . .
C103 C 0.5643(15) 0.1478(12) 0.8631(14) 0.073(5) Uani 1 1 d . U . . .
H10A H 0.539153 0.105324 0.842183 0.087 Uiso 1 1 calc R U . . .
H10B H 0.510024 0.202290 0.842727 0.087 Uiso 1 1 calc R U . . .
C104 C 0.568(2) 0.1127(14) 0.9532(15) 0.087(6) Uani 1 1 d . U . . .
H10C H 0.515222 0.151352 0.973418 0.105 Uiso 1 1 calc R U . . .
H10D H 0.544393 0.054327 0.972874 0.105 Uiso 1 1 calc R U . . .
C105 C 0.6948(19) 0.1123(11) 0.9716(10) 0.066(4) Uani 1 1 d . U . . .
H105 H 0.722369 0.075675 1.023993 0.079 Uiso 1 1 calc R U . . .
C106 C 0.713(2) 0.2079(12) 0.9508(11) 0.069(5) Uani 1 1 d . U . . .
C107 C 0.7575(14) 0.0862(11) 0.9106(9) 0.053(3) Uani 1 1 d . U . . .
C108 C 0.8923(15) 0.0893(11) 0.9151(14) 0.071(5) Uani 1 1 d . U . . .
H10E H 0.923959 0.101283 0.864645 0.107 Uiso 1 1 calc R U . . .
H10F H 0.931824 0.033985 0.948511 0.107 Uiso 1 1 calc R U . . .
H10G H 0.906960 0.134650 0.934845 0.107 Uiso 1 1 calc R U . . .
C109 C 0.7464(17) 0.0000(11) 0.9066(13) 0.068(5) Uani 1 1 d . U . . .
H10H H 0.666465 -0.014314 0.920752 0.103 Uiso 1 1 calc R U . . .
H10I H 0.805692 -0.042791 0.941237 0.103 Uiso 1 1 calc R U . . .
H10J H 0.759635 0.000310 0.855090 0.103 Uiso 1 1 calc R U . . .
C110 C 0.726(2) 0.1731(15) 0.7660(11) 0.076(5) Uani 1 1 d . U . . .
H11A H 0.749106 0.230312 0.741994 0.114 Uiso 1 1 calc R U . . .
H11B H 0.656088 0.166967 0.738797 0.114 Uiso 1 1 calc R U . . .
H11C H 0.791843 0.129542 0.764938 0.114 Uiso 1 1 calc R U . . .
C111 C 0.743(2) 0.2601(15) 0.9943(13) 0.075(4) Uani 1 1 d . U . . .
C112 C 0.762(2) 0.2208(15) 1.0832(13) 0.081(4) Uani 1 1 d . U . . .
C113 C 0.664(3) 0.243(2) 1.1225(17) 0.103(5) Uani 1 1 d . U . . .
C114 C 0.597(2) 0.3192(16) 1.0944(13) 0.101(6) Uani 1 1 d D U . . .
C115 C 1.0144(15) 0.5559(11) 0.7553(9) 0.047(3) Uani 1 1 d . U . . .
H115 H 0.972538 0.566399 0.708876 0.057 Uiso 1 1 calc R U . . .
C116 C 1.176(2) 0.5890(15) 0.8164(13) 0.077(6) Uani 1 1 d . U . . .
H11D H 1.132295 0.612828 0.851413 0.115 Uiso 1 1 calc R U . . .
H11E H 1.245589 0.618599 0.799914 0.115 Uiso 1 1 calc R U . . .
H11F H 1.201747 0.527702 0.841706 0.115 Uiso 1 1 calc R U . . .
C117 C 1.133(2) 0.6649(16) 0.6834(12) 0.072(6) Uani 1 1 d . U . . .
H11G H 1.178802 0.635769 0.652790 0.108 Uiso 1 1 calc R U . . .
H11H H 1.180109 0.704835 0.694598 0.108 Uiso 1 1 calc R U . . .
H11I H 1.059238 0.696685 0.655612 0.108 Uiso 1 1 calc R U . . .
C118 C 0.4743(15) 0.4428(11) 0.8062(10) 0.047(3) Uani 1 1 d . U . . .
H118 H 0.524789 0.431473 0.849465 0.056 Uiso 1 1 calc R U . . .
C119 C 0.303(3) 0.411(2) 0.7504(15) 0.096(8) Uani 1 1 d . U . . .
H11J H 0.222213 0.432088 0.760452 0.144 Uiso 1 1 calc R U . . .
H11K H 0.303396 0.355826 0.742809 0.144 Uiso 1 1 calc R U . . .
H11L H 0.329942 0.452574 0.704945 0.144 Uiso 1 1 calc R U . . .
C120 C 0.355(3) 0.3441(17) 0.8858(13) 0.084(7) Uani 1 1 d . U . . .
H12A H 0.366146 0.285198 0.884906 0.126 Uiso 1 1 calc R U . . .
H12B H 0.272543 0.359964 0.895872 0.126 Uiso 1 1 calc R U . . .
H12C H 0.407909 0.347849 0.925370 0.126 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.8874(7) . ?
Dy1 O2 2.154(12) . ?
Dy1 O3 2.313(10) . ?
Dy1 O6 2.331(10) . ?
Dy1 O7 2.384(10) . ?
Dy1 O8 2.343(11) . ?
Dy1 O11 2.364(14) . ?
Dy1 N1 2.507(12) . ?
Dy1 N7 2.532(13) . ?
Dy2 O3 2.338(11) . ?
Dy2 O5 2.171(12) . ?
Dy2 O6 2.322(11) . ?
Dy2 O9 2.392(12) . ?
Dy2 O10 2.304(11) . ?
Dy2 O12 2.384(13) . ?
Dy2 N3 2.615(14) . ?
Dy2 N5 2.518(14) . ?
F1 C38 1.36(2) . ?
F2 C38 1.38(2) . ?
F3 C39 1.33(2) . ?
F4 C39 1.387(18) . ?
F5 C40 1.29(2) . ?
F6 C40 1.31(2) . ?
F7 C40 1.30(3) . ?
F8 C52 1.39(2) . ?
F9 C52 1.33(2) . ?
F10 C53 1.30(2) . ?
F11 C53 1.36(3) . ?
F12 C54 1.26(3) . ?
F13 C54 1.38(3) . ?
F14 C54 1.26(3) . ?
O1 C1 1.44(2) . ?
O1 C2 1.365(19) . ?
O2 C7 1.290(18) . ?
O3 C9 1.338(18) . ?
O4 C14 1.43(2) . ?
O4 C15 1.36(2) . ?
O5 C20 1.33(2) . ?
O6 C22 1.315(18) . ?
O7 C27 1.279(19) . ?
O8 C37 1.23(2) . ?
O9 C41 1.26(2) . ?
O10 C51 1.26(2) . ?
O11 C55 1.14(3) . ?
O12 C58 1.25(2) . ?
N1 N2 1.419(16) . ?
N1 C8 1.264(19) . ?
N2 C9 1.28(2) . ?
N3 C10 1.34(2) . ?
N3 C13 1.31(2) . ?
N4 C11 1.32(2) . ?
N4 C12 1.35(3) . ?
N5 N6 1.42(2) . ?
N5 C21 1.26(2) . ?
N6 C22 1.29(2) . ?
N7 C23 1.36(2) . ?
N7 C26 1.36(2) . ?
N8 C24 1.29(3) . ?
N8 C25 1.32(3) . ?
N9 C55 1.32(3) . ?
N9 C56 1.53(3) . ?
N9 C57 1.39(3) . ?
N10 C58 1.33(2) . ?
N10 C59 1.51(3) . ?
N10 C60 1.42(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.38(2) . ?
C2 C7 1.42(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.33(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.44(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.38(2) . ?
C6 C7 1.42(2) . ?
C6 C8 1.46(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.49(2) . ?
C10 C11 1.40(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.33(3) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.41(2) . ?
C15 C20 1.438(19) . ?
C16 H16 0.9500 . ?
C16 C17 1.46(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.33(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.42(2) . ?
C19 C20 1.40(2) . ?
C19 C21 1.47(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.44(2) . ?
C23 C24 1.41(2) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.41(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.48(2) . ?
C27 C32 1.42(2) . ?
C28 C29 1.59(2) . ?
C28 C33 1.57(2) . ?
C28 C36 1.47(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.55(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.49(2) . ?
C31 H31 1.0000 . ?
C31 C32 1.55(2) . ?
C31 C33 1.56(2) . ?
C32 C37 1.36(2) . ?
C33 C34 1.53(2) . ?
C33 C35 1.55(2) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.557(19) . ?
C38 C39 1.54(3) . ?
C39 C40 1.50(3) . ?
C41 C42 1.52(2) . ?
C41 C46 1.42(2) . ?
C42 C43 1.53(3) . ?
C42 C47 1.52(3) . ?
C42 C50 1.50(3) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.53(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C45 1.56(2) . ?
C45 H45 1.0000 . ?
C45 C46 1.52(2) . ?
C45 C47 1.56(3) . ?
C46 C51 1.38(2) . ?
C47 C48 1.51(2) . ?
C47 C49 1.59(3) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.533(13) . ?
C52 C53 1.56(3) . ?
C53 C54 1.56(3) . ?
C55 H55 0.9500 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58 0.9500 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
Dy3 Dy4 3.9064(7) . ?
Dy3 O14 2.137(11) . ?
Dy3 O15 2.326(10) . ?
Dy3 O18 2.326(10) . ?
Dy3 O19 2.386(13) . ?
Dy3 O20 2.305(14) . ?
Dy3 O23 2.370(13) . ?
Dy3 N11 2.479(12) . ?
Dy3 N17 2.609(13) . ?
Dy4 O15 2.350(11) . ?
Dy4 O17 2.202(13) . ?
Dy4 O18 2.355(10) . ?
Dy4 O21 2.381(12) . ?
Dy4 O22 2.349(13) . ?
Dy4 O24 2.322(12) . ?
Dy4 N13 2.556(14) . ?
Dy4 N15 2.507(12) . ?
F22 C112 1.43(3) . ?
F23 C112 1.23(3) . ?
F24 C113 1.75(4) . ?
F25 C113 1.34(3) . ?
F26 C114 1.35(2) . ?
F27 C114 1.30(2) . ?
F28 C114 1.49(3) . ?
O13 C61 1.395(19) . ?
O13 C62 1.341(18) . ?
O14 C67 1.328(18) . ?
O15 C69 1.295(18) . ?
O16 C74 1.43(2) . ?
O16 C75 1.39(2) . ?
O17 C80 1.28(2) . ?
O18 C82 1.317(18) . ?
O19 C87 1.21(2) . ?
O20 C97 1.24(3) . ?
O21 C101 1.227(19) . ?
O22 C111 1.23(3) . ?
O23 C118 1.21(2) . ?
O24 C115 1.21(2) . ?
N11 N12 1.418(17) . ?
N11 C68 1.298(16) . ?
N12 C69 1.28(2) . ?
N13 C70 1.34(2) . ?
N13 C73 1.35(2) . ?
N14 C71 1.34(2) . ?
N14 C72 1.31(3) . ?
N15 N16 1.421(18) . ?
N15 C81 1.30(2) . ?
N16 C82 1.32(2) . ?
N17 C83 1.35(2) . ?
N17 C86 1.30(2) . ?
N18 C84 1.32(2) . ?
N18 C85 1.35(2) . ?
N19 C118 1.29(2) . ?
N19 C119 1.48(3) . ?
N19 C120 1.42(3) . ?
N20 C115 1.32(2) . ?
N20 C116 1.36(2) . ?
N20 C117 1.49(2) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C63 1.39(2) . ?
C62 C67 1.41(2) . ?
C63 H63 0.9500 . ?
C63 C64 1.41(2) . ?
C64 H64 0.9500 . ?
C64 C65 1.39(2) . ?
C65 H65 0.9500 . ?
C65 C66 1.44(2) . ?
C66 C67 1.424(19) . ?
C66 C68 1.442(17) . ?
C68 H68 0.9500 . ?
C69 C70 1.49(2) . ?
C70 C71 1.39(2) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C72 C73 1.44(3) . ?
C73 H73 0.9500 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.36(3) . ?
C75 C80 1.48(2) . ?
C76 H76 0.9500 . ?
C76 C77 1.34(3) . ?
C77 H77 0.9500 . ?
C77 C78 1.35(3) . ?
C78 H78 0.9500 . ?
C78 C79 1.38(2) . ?
C79 C80 1.39(2) . ?
C79 C81 1.41(2) . ?
C81 H81 0.9500 . ?
C82 C83 1.475(19) . ?
C83 C84 1.41(2) . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C85 C86 1.33(2) . ?
C86 H86 0.9500 . ?
C87 C88 1.51(3) . ?
C87 C92 1.42(3) . ?
C88 C89 1.44(4) . ?
C88 C93 1.61(4) . ?
C88 C96 1.61(4) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.58(4) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C90 C91 1.55(3) . ?
C91 H91 1.0000 . ?
C91 C92 1.53(3) . ?
C91 C93 1.54(3) . ?
C92 C97 1.39(4) . ?
C93 C94 1.56(3) . ?
C93 C95 1.47(4) . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.528(14) . ?
C98 F15 1.330(5) . ?
C98 F16 1.417(5) . ?
C98 C99 1.521(6) . ?
F17 C99 1.325(5) . ?
F18 C99 1.316(5) . ?
F19 C100 1.456(5) . ?
F20 C100 1.396(5) . ?
F21 C100 1.344(5) . ?
C99 C100 1.571(6) . ?
C101 C102 1.52(2) . ?
C101 C106 1.42(3) . ?
C102 C103 1.56(2) . ?
C102 C107 1.52(2) . ?
C102 C110 1.49(3) . ?
C103 H10A 0.9900 . ?
C103 H10B 0.9900 . ?
C103 C104 1.60(3) . ?
C104 H10C 0.9900 . ?
C104 H10D 0.9900 . ?
C104 C105 1.48(3) . ?
C105 H105 1.0000 . ?
C105 C106 1.55(2) . ?
C105 C107 1.51(2) . ?
C106 C111 1.45(3) . ?
C107 C108 1.54(2) . ?
C107 C109 1.49(2) . ?
C108 H10E 0.9800 . ?
C108 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C109 H10H 0.9800 . ?
C109 H10I 0.9800 . ?
C109 H10J 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 C112 1.59(3) . ?
C112 C113 1.41(4) . ?
C113 C114 1.33(4) . ?
C115 H115 0.9500 . ?
C116 H11D 0.9800 . ?
C116 H11E 0.9800 . ?
C116 H11F 0.9800 . ?
C117 H11G 0.9800 . ?
C117 H11H 0.9800 . ?
C117 H11I 0.9800 . ?
C118 H118 0.9500 . ?
C119 H11J 0.9800 . ?
C119 H11K 0.9800 . ?
C119 H11L 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 Dy2 161.1(4) . . ?
O2 Dy1 O3 135.3(4) . . ?
O2 Dy1 O6 149.8(5) . . ?
O2 Dy1 O7 100.8(5) . . ?
O2 Dy1 O8 89.1(5) . . ?
O2 Dy1 O11 82.7(5) . . ?
O2 Dy1 N1 72.7(4) . . ?
O2 Dy1 N7 86.8(5) . . ?
O3 Dy1 Dy2 33.5(3) . . ?
O3 Dy1 O6 66.8(3) . . ?
O3 Dy1 O7 75.4(4) . . ?
O3 Dy1 O8 128.6(5) . . ?
O3 Dy1 O11 79.0(5) . . ?
O3 Dy1 N1 64.5(4) . . ?
O3 Dy1 N7 126.8(4) . . ?
O6 Dy1 Dy2 33.3(3) . . ?
O6 Dy1 O7 105.8(4) . . ?
O6 Dy1 O8 86.4(4) . . ?
O6 Dy1 O11 82.9(5) . . ?
O6 Dy1 N1 130.8(4) . . ?
O6 Dy1 N7 64.0(4) . . ?
O7 Dy1 Dy2 90.2(2) . . ?
O7 Dy1 N1 68.1(4) . . ?
O7 Dy1 N7 136.9(4) . . ?
O8 Dy1 Dy2 109.1(3) . . ?
O8 Dy1 O7 71.0(4) . . ?
O8 Dy1 O11 142.4(5) . . ?
O8 Dy1 N1 130.5(4) . . ?
O8 Dy1 N7 66.8(4) . . ?
O11 Dy1 Dy2 79.8(4) . . ?
O11 Dy1 O7 146.6(4) . . ?
O11 Dy1 N1 81.6(4) . . ?
O11 Dy1 N7 76.2(5) . . ?
N1 Dy1 Dy2 97.8(3) . . ?
N1 Dy1 N7 151.5(4) . . ?
N7 Dy1 Dy2 95.6(3) . . ?
O3 Dy2 Dy1 33.1(2) . . ?
O3 Dy2 O9 83.1(4) . . ?
O3 Dy2 O12 84.1(5) . . ?
O3 Dy2 N3 64.3(4) . . ?
O3 Dy2 N5 130.2(4) . . ?
O5 Dy2 Dy1 162.8(3) . . ?
O5 Dy2 O3 149.7(4) . . ?
O5 Dy2 O6 137.6(5) . . ?
O5 Dy2 O9 88.2(5) . . ?
O5 Dy2 O10 96.6(4) . . ?
O5 Dy2 O12 83.4(5) . . ?
O5 Dy2 N3 85.7(5) . . ?
O5 Dy2 N5 74.6(5) . . ?
O6 Dy2 Dy1 33.4(3) . . ?
O6 Dy2 O3 66.5(3) . . ?
O6 Dy2 O9 128.3(4) . . ?
O6 Dy2 O12 80.7(4) . . ?
O6 Dy2 N3 126.2(4) . . ?
O6 Dy2 N5 64.3(4) . . ?
O9 Dy2 Dy1 107.7(3) . . ?
O9 Dy2 N3 64.9(4) . . ?
O9 Dy2 N5 135.3(4) . . ?
O10 Dy2 Dy1 94.9(3) . . ?
O10 Dy2 O3 107.5(4) . . ?
O10 Dy2 O6 79.9(4) . . ?
O10 Dy2 O9 70.4(4) . . ?
O10 Dy2 O12 150.9(5) . . ?
O10 Dy2 N3 135.2(4) . . ?
O10 Dy2 N5 71.1(4) . . ?
O12 Dy2 Dy1 80.3(3) . . ?
O12 Dy2 O9 138.5(4) . . ?
O12 Dy2 N3 73.9(4) . . ?
O12 Dy2 N5 81.0(5) . . ?
N3 Dy2 Dy1 95.0(3) . . ?
N5 Dy2 Dy1 97.3(3) . . ?
N5 Dy2 N3 149.7(5) . . ?
C2 O1 C1 119.5(14) . . ?
C7 O2 Dy1 143.1(10) . . ?
Dy1 O3 Dy2 113.4(4) . . ?
C9 O3 Dy1 119.0(9) . . ?
C9 O3 Dy2 126.5(9) . . ?
C15 O4 C14 116.5(16) . . ?
C20 O5 Dy2 139.3(11) . . ?
Dy2 O6 Dy1 113.3(4) . . ?
C22 O6 Dy1 126.2(10) . . ?
C22 O6 Dy2 120.1(9) . . ?
C27 O7 Dy1 127.5(9) . . ?
C37 O8 Dy1 132.7(10) . . ?
C41 O9 Dy2 130.0(11) . . ?
C51 O10 Dy2 133.7(10) . . ?
C55 O11 Dy1 146.7(16) . . ?
C58 O12 Dy2 137.6(12) . . ?
N2 N1 Dy1 115.9(8) . . ?
C8 N1 Dy1 130.1(10) . . ?
C8 N1 N2 112.8(12) . . ?
C9 N2 N1 111.5(12) . . ?
C10 N3 Dy2 116.0(9) . . ?
C13 N3 Dy2 125.9(13) . . ?
C13 N3 C10 116.3(15) . . ?
C11 N4 C12 115.1(18) . . ?
N6 N5 Dy2 115.8(9) . . ?
C21 N5 Dy2 128.9(13) . . ?
C21 N5 N6 112.6(15) . . ?
C22 N6 N5 111.5(13) . . ?
C23 N7 Dy1 116.5(10) . . ?
C23 N7 C26 118.1(15) . . ?
C26 N7 Dy1 123.9(12) . . ?
C24 N8 C25 118.1(18) . . ?
C55 N9 C56 129(2) . . ?
C55 N9 C57 114(2) . . ?
C57 N9 C56 115.1(19) . . ?
C58 N10 C59 119.5(17) . . ?
C58 N10 C60 123.0(18) . . ?
C60 N10 C59 117.5(17) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 125.4(14) . . ?
O1 C2 C7 113.8(13) . . ?
C3 C2 C7 120.8(15) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 C2 122.3(16) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.7(16) . . ?
C5 C4 H4 120.7 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(16) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C7 120.0(14) . . ?
C5 C6 C8 117.5(14) . . ?
C7 C6 C8 122.5(13) . . ?
O2 C7 C2 119.6(14) . . ?
O2 C7 C6 122.9(13) . . ?
C2 C7 C6 117.5(13) . . ?
N1 C8 C6 125.7(13) . . ?
N1 C8 H8 117.1 . . ?
C6 C8 H8 117.1 . . ?
O3 C9 C10 115.5(14) . . ?
N2 C9 O3 124.9(13) . . ?
N2 C9 C10 119.6(13) . . ?
N3 C10 C9 115.8(13) . . ?
N3 C10 C11 120.2(14) . . ?
C11 C10 C9 124.0(15) . . ?
N4 C11 C10 122.3(18) . . ?
N4 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
N4 C12 H12 118.7 . . ?
C13 C12 N4 122.6(18) . . ?
C13 C12 H12 118.7 . . ?
N3 C13 C12 123.4(19) . . ?
N3 C13 H13 118.3 . . ?
C12 C13 H13 118.3 . . ?
O4 C14 H14A 109.5 . . ?
O4 C14 H14B 109.5 . . ?
O4 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O4 C15 C16 126.3(15) . . ?
O4 C15 C20 115.3(15) . . ?
C16 C15 C20 118.3(18) . . ?
C15 C16 H16 120.2 . . ?
C15 C16 C17 120(2) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 119.0 . . ?
C18 C17 C16 122(2) . . ?
C18 C17 H17 119.0 . . ?
C17 C18 H18 120.8 . . ?
C17 C18 C19 118(2) . . ?
C19 C18 H18 120.8 . . ?
C18 C19 C21 114.2(16) . . ?
C20 C19 C18 122.7(17) . . ?
C20 C19 C21 123.0(16) . . ?
O5 C20 C15 115.4(15) . . ?
O5 C20 C19 125.8(15) . . ?
C19 C20 C15 118.8(16) . . ?
N5 C21 C19 125.7(18) . . ?
N5 C21 H21 117.2 . . ?
C19 C21 H21 117.2 . . ?
O6 C22 C23 115.2(14) . . ?
N6 C22 O6 125.0(15) . . ?
N6 C22 C23 119.8(14) . . ?
N7 C23 C22 115.3(13) . . ?
N7 C23 C24 118.9(16) . . ?
C24 C23 C22 125.7(16) . . ?
N8 C24 C23 123.4(19) . . ?
N8 C24 H24 118.3 . . ?
C23 C24 H24 118.3 . . ?
N8 C25 H25 118.9 . . ?
N8 C25 C26 122.2(19) . . ?
C26 C25 H25 118.9 . . ?
N7 C26 C25 119.0(19) . . ?
N7 C26 H26 120.5 . . ?
C25 C26 H26 120.5 . . ?
O7 C27 C28 122.9(13) . . ?
O7 C27 C32 125.5(14) . . ?
C32 C27 C28 111.5(14) . . ?
C27 C28 C29 102.3(14) . . ?
C27 C28 C33 97.9(12) . . ?
C33 C28 C29 101.1(13) . . ?
C36 C28 C27 117.7(14) . . ?
C36 C28 C29 116.8(14) . . ?
C36 C28 C33 117.8(15) . . ?
C28 C29 H29A 111.2 . . ?
C28 C29 H29B 111.2 . . ?
H29A C29 H29B 109.1 . . ?
C30 C29 C28 102.7(14) . . ?
C30 C29 H29A 111.2 . . ?
C30 C29 H29B 111.2 . . ?
C29 C30 H30A 110.8 . . ?
C29 C30 H30B 110.8 . . ?
H30A C30 H30B 108.8 . . ?
C31 C30 C29 104.9(13) . . ?
C31 C30 H30A 110.8 . . ?
C31 C30 H30B 110.8 . . ?
C30 C31 H31 115.1 . . ?
C30 C31 C32 107.2(14) . . ?
C30 C31 C33 102.2(13) . . ?
C32 C31 H31 115.1 . . ?
C32 C31 C33 100.5(11) . . ?
C33 C31 H31 115.1 . . ?
C27 C32 C31 102.1(13) . . ?
C37 C32 C27 121.7(15) . . ?
C37 C32 C31 136.1(13) . . ?
C31 C33 C28 94.0(12) . . ?
C34 C33 C28 114.4(13) . . ?
C34 C33 C31 114.1(12) . . ?
C34 C33 C35 108.2(15) . . ?
C35 C33 C28 111.3(12) . . ?
C35 C33 C31 114.4(12) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C28 C36 H36A 109.5 . . ?
C28 C36 H36B 109.5 . . ?
C28 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O8 C37 C32 127.0(13) . . ?
O8 C37 C38 114.4(14) . . ?
C32 C37 C38 118.5(14) . . ?
F1 C38 F2 105.7(15) . . ?
F1 C38 C37 109.2(13) . . ?
F1 C38 C39 105.8(14) . . ?
F2 C38 C37 113.8(14) . . ?
F2 C38 C39 105.1(13) . . ?
C39 C38 C37 116.4(15) . . ?
F3 C39 F4 106.8(14) . . ?
F3 C39 C38 108.4(14) . . ?
F3 C39 C40 108.4(17) . . ?
F4 C39 C38 107.5(15) . . ?
F4 C39 C40 106.5(14) . . ?
C40 C39 C38 118.6(14) . . ?
F5 C40 F6 107.1(16) . . ?
F5 C40 F7 109.5(18) . . ?
F5 C40 C39 110.3(16) . . ?
F6 C40 C39 110.5(16) . . ?
F7 C40 F6 108.4(17) . . ?
F7 C40 C39 110.9(17) . . ?
O9 C41 C42 126.9(16) . . ?
O9 C41 C46 124.9(16) . . ?
C46 C41 C42 108.2(15) . . ?
C41 C42 C43 102.5(17) . . ?
C47 C42 C41 99.5(16) . . ?
C47 C42 C43 102.6(16) . . ?
C50 C42 C41 113.1(17) . . ?
C50 C42 C43 121(2) . . ?
C50 C42 C47 115(2) . . ?
C42 C43 H43A 110.6 . . ?
C42 C43 H43B 110.6 . . ?
C42 C43 C44 105.6(17) . . ?
H43A C43 H43B 108.7 . . ?
C44 C43 H43A 110.6 . . ?
C44 C43 H43B 110.6 . . ?
C43 C44 H44A 111.5 . . ?
C43 C44 H44B 111.5 . . ?
C43 C44 C45 101.4(15) . . ?
H44A C44 H44B 109.3 . . ?
C45 C44 H44A 111.5 . . ?
C45 C44 H44B 111.5 . . ?
C44 C45 H45 115.6 . . ?
C44 C45 C47 100.2(15) . . ?
C46 C45 C44 106.3(13) . . ?
C46 C45 H45 115.6 . . ?
C46 C45 C47 101.5(13) . . ?
C47 C45 H45 115.6 . . ?
C41 C46 C45 103.7(14) . . ?
C51 C46 C41 120.8(15) . . ?
C51 C46 C45 134.9(16) . . ?
C42 C47 C45 94.4(14) . . ?
C42 C47 C49 116.5(17) . . ?
C45 C47 C49 108.1(18) . . ?
C48 C47 C42 115.8(19) . . ?
C48 C47 C45 114.8(15) . . ?
C48 C47 C49 106.9(16) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C42 C50 H50A 109.5 . . ?
C42 C50 H50B 109.5 . . ?
C42 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O10 C51 C46 125.7(14) . . ?
O10 C51 C52 115.2(14) . . ?
C46 C51 C52 119.0(15) . . ?
F8 C52 C51 110.0(15) . . ?
F8 C52 C53 103.3(17) . . ?
F9 C52 F8 107.1(18) . . ?
F9 C52 C51 113.8(16) . . ?
F9 C52 C53 108.7(16) . . ?
C51 C52 C53 113.2(18) . . ?
F10 C53 F11 108(2) . . ?
F10 C53 C52 111.6(16) . . ?
F10 C53 C54 106.6(17) . . ?
F11 C53 C52 106.4(16) . . ?
F11 C53 C54 109.7(18) . . ?
C54 C53 C52 114(2) . . ?
F12 C54 F13 104(2) . . ?
F12 C54 F14 114(3) . . ?
F12 C54 C53 116(2) . . ?
F13 C54 C53 105(2) . . ?
F14 C54 F13 104(2) . . ?
F14 C54 C53 111(2) . . ?
O11 C55 N9 131(2) . . ?
O11 C55 H55 114.6 . . ?
N9 C55 H55 114.6 . . ?
N9 C56 H56A 109.5 . . ?
N9 C56 H56B 109.5 . . ?
N9 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
N9 C57 H57A 109.5 . . ?
N9 C57 H57B 109.5 . . ?
N9 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
O12 C58 N10 118.9(18) . . ?
O12 C58 H58 120.5 . . ?
N10 C58 H58 120.5 . . ?
N10 C59 H59A 109.5 . . ?
N10 C59 H59B 109.5 . . ?
N10 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
N10 C60 H60A 109.5 . . ?
N10 C60 H60B 109.5 . . ?
N10 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O14 Dy3 Dy4 164.5(3) . . ?
O14 Dy3 O15 137.0(4) . . ?
O14 Dy3 O18 150.1(4) . . ?
O14 Dy3 O19 88.3(4) . . ?
O14 Dy3 O20 101.5(5) . . ?
O14 Dy3 O23 84.1(5) . . ?
O14 Dy3 N11 74.8(4) . . ?
O14 Dy3 N17 86.1(4) . . ?
O15 Dy3 Dy4 33.5(3) . . ?
O15 Dy3 O18 67.2(3) . . ?
O15 Dy3 O19 128.9(4) . . ?
O15 Dy3 O23 79.4(4) . . ?
O15 Dy3 N11 63.7(4) . . ?
O15 Dy3 N17 125.8(4) . . ?
O18 Dy3 Dy4 33.7(2) . . ?
O18 Dy3 O19 82.3(4) . . ?
O18 Dy3 O23 84.6(4) . . ?
O18 Dy3 N11 130.6(4) . . ?
O18 Dy3 N17 64.1(4) . . ?
O19 Dy3 Dy4 106.5(3) . . ?
O19 Dy3 N11 134.3(4) . . ?
O19 Dy3 N17 65.6(4) . . ?
O20 Dy3 Dy4 88.4(4) . . ?
O20 Dy3 O15 77.7(5) . . ?
O20 Dy3 O18 101.5(5) . . ?
O20 Dy3 O19 69.1(5) . . ?
O20 Dy3 O23 151.7(5) . . ?
O20 Dy3 N11 73.1(5) . . ?
O20 Dy3 N17 133.7(5) . . ?
O23 Dy3 Dy4 81.6(4) . . ?
O23 Dy3 O19 139.1(5) . . ?
O23 Dy3 N11 81.9(4) . . ?
O23 Dy3 N17 73.9(4) . . ?
N11 Dy3 Dy4 97.2(3) . . ?
N11 Dy3 N17 150.6(4) . . ?
N17 Dy3 Dy4 95.6(3) . . ?
O15 Dy4 Dy3 33.1(2) . . ?
O15 Dy4 O18 66.3(3) . . ?
O15 Dy4 O21 100.3(4) . . ?
O15 Dy4 N13 64.3(4) . . ?
O15 Dy4 N15 130.9(4) . . ?
O17 Dy4 Dy3 160.8(4) . . ?
O17 Dy4 O15 151.7(5) . . ?
O17 Dy4 O18 135.3(4) . . ?
O17 Dy4 O21 103.7(5) . . ?
O17 Dy4 O22 82.3(6) . . ?
O17 Dy4 O24 82.1(5) . . ?
O17 Dy4 N13 88.0(5) . . ?
O17 Dy4 N15 72.4(4) . . ?
O18 Dy4 Dy3 33.2(2) . . ?
O18 Dy4 O21 73.7(4) . . ?
O18 Dy4 N13 126.4(4) . . ?
O18 Dy4 N15 64.8(4) . . ?
O21 Dy4 Dy3 87.6(3) . . ?
O21 Dy4 N13 134.4(4) . . ?
O21 Dy4 N15 69.9(4) . . ?
O22 Dy4 Dy3 116.2(4) . . ?
O22 Dy4 O15 90.8(5) . . ?
O22 Dy4 O18 134.7(5) . . ?
O22 Dy4 O21 72.8(5) . . ?
O22 Dy4 N13 65.3(5) . . ?
O22 Dy4 N15 127.5(5) . . ?
O24 Dy4 Dy3 80.4(3) . . ?
O24 Dy4 O15 84.8(5) . . ?
O24 Dy4 O18 81.1(4) . . ?
O24 Dy4 O21 149.4(4) . . ?
O24 Dy4 O22 137.7(5) . . ?
O24 Dy4 N13 75.1(5) . . ?
O24 Dy4 N15 83.8(5) . . ?
N13 Dy4 Dy3 95.0(3) . . ?
N15 Dy4 Dy3 97.8(3) . . ?
N15 Dy4 N13 153.0(4) . . ?
C62 O13 C61 120.2(13) . . ?
C67 O14 Dy3 142.7(10) . . ?
Dy3 O15 Dy4 113.3(4) . . ?
C69 O15 Dy3 118.9(9) . . ?
C69 O15 Dy4 126.0(9) . . ?
C75 O16 C74 114.1(16) . . ?
C80 O17 Dy4 140.4(12) . . ?
Dy3 O18 Dy4 113.1(4) . . ?
C82 O18 Dy3 127.8(9) . . ?
C82 O18 Dy4 118.0(9) . . ?
C87 O19 Dy3 129.8(13) . . ?
C97 O20 Dy3 128.4(13) . . ?
C101 O21 Dy4 126.5(12) . . ?
C111 O22 Dy4 130.8(14) . . ?
C118 O23 Dy3 140.0(12) . . ?
C115 O24 Dy4 143.1(13) . . ?
N12 N11 Dy3 117.3(9) . . ?
C68 N11 Dy3 129.2(9) . . ?
C68 N11 N12 112.0(12) . . ?
C69 N12 N11 109.4(12) . . ?
C70 N13 Dy4 118.0(10) . . ?
C70 N13 C73 119.4(15) . . ?
C73 N13 Dy4 121.3(13) . . ?
C72 N14 C71 114.9(17) . . ?
N16 N15 Dy4 116.6(8) . . ?
C81 N15 Dy4 129.2(11) . . ?
C81 N15 N16 113.3(13) . . ?
C82 N16 N15 110.9(12) . . ?
C83 N17 Dy3 115.2(9) . . ?
C86 N17 Dy3 127.4(11) . . ?
C86 N17 C83 116.6(13) . . ?
C84 N18 C85 118.1(16) . . ?
C118 N19 C119 120.4(17) . . ?
C118 N19 C120 123.2(19) . . ?
C120 N19 C119 116.4(19) . . ?
C115 N20 C116 125.0(17) . . ?
C115 N20 C117 119.2(15) . . ?
C116 N20 C117 115.7(17) . . ?
O13 C61 H61A 109.5 . . ?
O13 C61 H61B 109.5 . . ?
O13 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O13 C62 C63 122.4(13) . . ?
O13 C62 C67 116.4(13) . . ?
C63 C62 C67 121.0(13) . . ?
C62 C63 H63 119.4 . . ?
C62 C63 C64 121.2(15) . . ?
C64 C63 H63 119.4 . . ?
C63 C64 H64 120.8 . . ?
C65 C64 C63 118.3(15) . . ?
C65 C64 H64 120.8 . . ?
C64 C65 H65 119.0 . . ?
C64 C65 C66 122.1(14) . . ?
C66 C65 H65 119.0 . . ?
C65 C66 C68 117.4(13) . . ?
C67 C66 C65 117.7(13) . . ?
C67 C66 C68 124.9(13) . . ?
O14 C67 C62 118.2(13) . . ?
O14 C67 C66 121.9(13) . . ?
C62 C67 C66 119.6(13) . . ?
N11 C68 C66 125.3(13) . . ?
N11 C68 H68 117.3 . . ?
C66 C68 H68 117.3 . . ?
O15 C69 C70 116.6(13) . . ?
N12 C69 O15 126.6(14) . . ?
N12 C69 C70 116.8(13) . . ?
N13 C70 C69 114.0(13) . . ?
N13 C70 C71 119.6(15) . . ?
C71 C70 C69 126.4(15) . . ?
N14 C71 C70 124.2(17) . . ?
N14 C71 H71 117.9 . . ?
C70 C71 H71 117.9 . . ?
N14 C72 H72 117.8 . . ?
N14 C72 C73 124.4(18) . . ?
C73 C72 H72 117.8 . . ?
N13 C73 C72 117(2) . . ?
N13 C73 H73 121.3 . . ?
C72 C73 H73 121.3 . . ?
O16 C74 H74A 109.5 . . ?
O16 C74 H74B 109.5 . . ?
O16 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
O16 C75 C80 113.0(15) . . ?
C76 C75 O16 128.2(16) . . ?
C76 C75 C80 118.8(18) . . ?
C75 C76 H76 119.1 . . ?
C77 C76 C75 121.7(18) . . ?
C77 C76 H76 119.1 . . ?
C76 C77 H77 119.8 . . ?
C76 C77 C78 120.3(18) . . ?
C78 C77 H77 119.8 . . ?
C77 C78 H78 119.0 . . ?
C77 C78 C79 122.1(19) . . ?
C79 C78 H78 119.0 . . ?
C78 C79 C80 120.3(16) . . ?
C78 C79 C81 118.6(17) . . ?
C80 C79 C81 121.0(15) . . ?
O17 C80 C75 116.5(16) . . ?
O17 C80 C79 126.9(15) . . ?
C79 C80 C75 116.4(15) . . ?
N15 C81 C79 127.8(16) . . ?
N15 C81 H81 116.1 . . ?
C79 C81 H81 116.1 . . ?
O18 C82 N16 125.5(13) . . ?
O18 C82 C83 114.8(13) . . ?
N16 C82 C83 119.6(13) . . ?
N17 C83 C82 116.5(13) . . ?
N17 C83 C84 121.3(14) . . ?
C84 C83 C82 122.1(14) . . ?
N18 C84 C83 119.0(16) . . ?
N18 C84 H84 120.5 . . ?
C83 C84 H84 120.5 . . ?
N18 C85 H85 119.3 . . ?
C86 C85 N18 121.3(17) . . ?
C86 C85 H85 119.3 . . ?
N17 C86 C85 123.5(17) . . ?
N17 C86 H86 118.2 . . ?
C85 C86 H86 118.2 . . ?
O19 C87 C88 127(2) . . ?
O19 C87 C92 127(2) . . ?
C92 C87 C88 105.4(18) . . ?
C87 C88 C93 100.1(19) . . ?
C87 C88 C96 112(2) . . ?
C89 C88 C87 107(2) . . ?
C89 C88 C93 106(2) . . ?
C89 C88 C96 125(3) . . ?
C93 C88 C96 103(2) . . ?
C88 C89 H89A 111.1 . . ?
C88 C89 H89B 111.1 . . ?
C88 C89 C90 103(2) . . ?
H89A C89 H89B 109.1 . . ?
C90 C89 H89A 111.1 . . ?
C90 C89 H89B 111.1 . . ?
C89 C90 H90A 111.4 . . ?
C89 C90 H90B 111.4 . . ?
H90A C90 H90B 109.3 . . ?
C91 C90 C89 101.9(19) . . ?
C91 C90 H90A 111.4 . . ?
C91 C90 H90B 111.4 . . ?
C90 C91 H91 114.7 . . ?
C92 C91 C90 108.6(19) . . ?
C92 C91 H91 114.7 . . ?
C92 C91 C93 99.6(18) . . ?
C93 C91 C90 103(2) . . ?
C93 C91 H91 114.7 . . ?
C87 C92 C91 105(2) . . ?
C97 C92 C87 112(2) . . ?
C97 C92 C91 139(2) . . ?
C91 C93 C88 89.8(18) . . ?
C91 C93 C94 114(2) . . ?
C94 C93 C88 113(2) . . ?
C95 C93 C88 121(2) . . ?
C95 C93 C91 103(2) . . ?
C95 C93 C94 113(2) . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C93 C95 H95A 109.5 . . ?
C93 C95 H95B 109.5 . . ?
C93 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C88 C96 H96A 109.5 . . ?
C88 C96 H96B 109.5 . . ?
C88 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
O20 C97 C92 132.5(18) . . ?
O20 C97 C98 117(2) . . ?
C92 C97 C98 110(2) . . ?
F15 C98 C97 121.2(13) . . ?
F15 C98 F16 108.6 . . ?
F15 C98 C99 112.7 . . ?
F16 C98 C97 110.3(13) . . ?
F16 C98 C99 109.2 . . ?
C99 C98 C97 93.8(14) . . ?
C98 C99 C100 106.1 . . ?
F17 C99 C98 106.5 . . ?
F17 C99 C100 111.2 . . ?
F18 C99 C98 111.3 . . ?
F18 C99 F17 111.6 . . ?
F18 C99 C100 109.9 . . ?
F19 C100 C99 99.2 . . ?
F20 C100 F19 104.3 . . ?
F20 C100 C99 116.0 . . ?
F21 C100 F19 104.9 . . ?
F21 C100 F20 115.1 . . ?
F21 C100 C99 114.5 . . ?
O21 C101 C102 125.2(16) . . ?
O21 C101 C106 127.8(17) . . ?
C106 C101 C102 106.9(14) . . ?
C101 C102 C103 105.3(15) . . ?
C101 C102 C107 101.4(15) . . ?
C107 C102 C103 98.9(13) . . ?
C110 C102 C101 114.3(14) . . ?
C110 C102 C103 113.6(17) . . ?
C110 C102 C107 121.1(16) . . ?
C102 C103 H10A 111.3 . . ?
C102 C103 H10B 111.3 . . ?
C102 C103 C104 102.4(15) . . ?
H10A C103 H10B 109.2 . . ?
C104 C103 H10A 111.3 . . ?
C104 C103 H10B 111.3 . . ?
C103 C104 H10C 111.4 . . ?
C103 C104 H10D 111.4 . . ?
H10C C104 H10D 109.3 . . ?
C105 C104 C103 101.7(14) . . ?
C105 C104 H10C 111.4 . . ?
C105 C104 H10D 111.4 . . ?
C104 C105 H105 114.6 . . ?
C104 C105 C106 105.7(18) . . ?
C104 C105 C107 102.8(18) . . ?
C106 C105 H105 114.6 . . ?
C107 C105 H105 114.6 . . ?
C107 C105 C106 103.0(13) . . ?
C101 C106 C105 103.8(16) . . ?
C101 C106 C111 121.7(16) . . ?
C111 C106 C105 133.7(18) . . ?
C102 C107 C108 111.3(13) . . ?
C105 C107 C102 95.2(14) . . ?
C105 C107 C108 111.5(17) . . ?
C109 C107 C102 115.4(16) . . ?
C109 C107 C105 118.4(14) . . ?
C109 C107 C108 105.1(14) . . ?
C107 C108 H10E 109.5 . . ?
C107 C108 H10F 109.5 . . ?
C107 C108 H10G 109.5 . . ?
H10E C108 H10F 109.5 . . ?
H10E C108 H10G 109.5 . . ?
H10F C108 H10G 109.5 . . ?
C107 C109 H10H 109.5 . . ?
C107 C109 H10I 109.5 . . ?
C107 C109 H10J 109.5 . . ?
H10H C109 H10I 109.5 . . ?
H10H C109 H10J 109.5 . . ?
H10I C109 H10J 109.5 . . ?
C102 C110 H11A 109.5 . . ?
C102 C110 H11B 109.5 . . ?
C102 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O22 C111 C106 124(2) . . ?
O22 C111 C112 115(2) . . ?
C106 C111 C112 121(2) . . ?
F22 C112 C111 111.4(19) . . ?
F23 C112 F22 97(2) . . ?
F23 C112 C111 116(2) . . ?
F23 C112 C113 119(2) . . ?
C113 C112 F22 97(2) . . ?
C113 C112 C111 114(2) . . ?
F25 C113 F24 113(2) . . ?
F25 C113 C112 115(3) . . ?
C112 C113 F24 96(2) . . ?
C114 C113 F24 93(2) . . ?
C114 C113 F25 115(3) . . ?
C114 C113 C112 121(3) . . ?
F26 C114 F28 97(3) . . ?
F27 C114 F26 102(2) . . ?
F27 C114 F28 101(2) . . ?
F27 C114 C113 125(3) . . ?
C113 C114 F26 113(3) . . ?
C113 C114 F28 115(2) . . ?
O24 C115 N20 123.9(17) . . ?
O24 C115 H115 118.0 . . ?
N20 C115 H115 118.0 . . ?
N20 C116 H11D 109.5 . . ?
N20 C116 H11E 109.5 . . ?
N20 C116 H11F 109.5 . . ?
H11D C116 H11E 109.5 . . ?
H11D C116 H11F 109.5 . . ?
H11E C116 H11F 109.5 . . ?
N20 C117 H11G 109.5 . . ?
N20 C117 H11H 109.5 . . ?
N20 C117 H11I 109.5 . . ?
H11G C117 H11H 109.5 . . ?
H11G C117 H11I 109.5 . . ?
H11H C117 H11I 109.5 . . ?
O23 C118 N19 127.2(18) . . ?
O23 C118 H118 116.4 . . ?
N19 C118 H118 116.4 . . ?
N19 C119 H11J 109.5 . . ?
N19 C119 H11K 109.5 . . ?
N19 C119 H11L 109.5 . . ?
H11J C119 H11K 109.5 . . ?
H11J C119 H11L 109.5 . . ?
H11K C119 H11L 109.5 . . ?
N19 C120 H12A 109.5 . . ?
N19 C120 H12B 109.5 . . ?
N19 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 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
Dy1 O2 C7 C2 -163.2(14) . . . . ?
Dy1 O2 C7 C6 18(3) . . . . ?
Dy1 O3 C9 N2 -21(2) . . . . ?
Dy1 O3 C9 C10 157.1(10) . . . . ?
Dy1 O6 C22 N6 -169.9(12) . . . . ?
Dy1 O6 C22 C23 9.2(19) . . . . ?
Dy1 O7 C27 C28 -151.7(12) . . . . ?
Dy1 O7 C27 C32 33(2) . . . . ?
Dy1 O8 C37 C32 -23(3) . . . . ?
Dy1 O8 C37 C38 159.6(12) . . . . ?
Dy1 O11 C55 N9 176.3(15) . . . . ?
Dy1 N1 N2 C9 10.3(15) . . . . ?
Dy1 N1 C8 C6 -4(2) . . . . ?
Dy1 N7 C23 C22 -16.0(17) . . . . ?
Dy1 N7 C23 C24 165.6(13) . . . . ?
Dy1 N7 C26 C25 -162.3(14) . . . . ?
Dy2 O3 C9 N2 171.7(12) . . . . ?
Dy2 O3 C9 C10 -9.8(19) . . . . ?
Dy2 O5 C20 C15 166.3(13) . . . . ?
Dy2 O5 C20 C19 -13(3) . . . . ?
Dy2 O6 C22 N6 18(2) . . . . ?
Dy2 O6 C22 C23 -163.2(10) . . . . ?
Dy2 O9 C41 C42 -154.8(15) . . . . ?
Dy2 O9 C41 C46 26(3) . . . . ?
Dy2 O10 C51 C46 -20(3) . . . . ?
Dy2 O10 C51 C52 161.1(13) . . . . ?
Dy2 O12 C58 N10 173.4(13) . . . . ?
Dy2 N3 C10 C9 11.5(17) . . . . ?
Dy2 N3 C10 C11 -166.9(12) . . . . ?
Dy2 N3 C13 C12 167.7(16) . . . . ?
Dy2 N5 N6 C22 -11.4(17) . . . . ?
Dy2 N5 C21 C19 17(3) . . . . ?
F1 C38 C39 F3 -63.7(17) . . . . ?
F1 C38 C39 F4 51.4(17) . . . . ?
F1 C38 C39 C40 172.2(15) . . . . ?
F2 C38 C39 F3 -175.2(14) . . . . ?
F2 C38 C39 F4 -60.1(17) . . . . ?
F2 C38 C39 C40 60.7(19) . . . . ?
F3 C39 C40 F5 -64.8(19) . . . . ?
F3 C39 C40 F6 53(2) . . . . ?
F3 C39 C40 F7 173.7(15) . . . . ?
F4 C39 C40 F5 -179.4(16) . . . . ?
F4 C39 C40 F6 -61(2) . . . . ?
F4 C39 C40 F7 59.1(19) . . . . ?
F8 C52 C53 F10 -64(2) . . . . ?
F8 C52 C53 F11 177.7(16) . . . . ?
F8 C52 C53 C54 56(2) . . . . ?
F9 C52 C53 F10 -178.0(19) . . . . ?
F9 C52 C53 F11 64(2) . . . . ?
F9 C52 C53 C54 -57(2) . . . . ?
F10 C53 C54 F12 56(3) . . . . ?
F10 C53 C54 F13 -59(3) . . . . ?
F10 C53 C54 F14 -171(2) . . . . ?
F11 C53 C54 F12 173(2) . . . . ?
F11 C53 C54 F13 58(2) . . . . ?
F11 C53 C54 F14 -54(3) . . . . ?
O1 C2 C3 C4 177.3(18) . . . . ?
O1 C2 C7 O2 -1(2) . . . . ?
O1 C2 C7 C6 177.9(13) . . . . ?
O3 C9 C10 N3 -3(2) . . . . ?
O3 C9 C10 C11 175.7(15) . . . . ?
O4 C15 C16 C17 171(2) . . . . ?
O4 C15 C20 O5 8(2) . . . . ?
O4 C15 C20 C19 -173.4(16) . . . . ?
O6 C22 C23 N7 6(2) . . . . ?
O6 C22 C23 C24 -175.9(16) . . . . ?
O7 C27 C28 C29 -107.3(17) . . . . ?
O7 C27 C28 C33 149.4(15) . . . . ?
O7 C27 C28 C36 22(2) . . . . ?
O7 C27 C32 C31 176.2(15) . . . . ?
O7 C27 C32 C37 -1(3) . . . . ?
O8 C37 C38 F1 39(2) . . . . ?
O8 C37 C38 F2 156.4(15) . . . . ?
O8 C37 C38 C39 -81.1(19) . . . . ?
O9 C41 C42 C43 -111(2) . . . . ?
O9 C41 C42 C47 144(2) . . . . ?
O9 C41 C42 C50 21(3) . . . . ?
O9 C41 C46 C45 -178.0(18) . . . . ?
O9 C41 C46 C51 9(3) . . . . ?
O10 C51 C52 F8 30(2) . . . . ?
O10 C51 C52 F9 149.9(18) . . . . ?
O10 C51 C52 C53 -85(2) . . . . ?
N1 N2 C9 O3 6(2) . . . . ?
N1 N2 C9 C10 -172.3(12) . . . . ?
N2 N1 C8 C6 -171.2(13) . . . . ?
N2 C9 C10 N3 176.0(14) . . . . ?
N2 C9 C10 C11 -6(2) . . . . ?
N3 C10 C11 N4 0(3) . . . . ?
N4 C12 C13 N3 -5(4) . . . . ?
N5 N6 C22 O6 -3(2) . . . . ?
N5 N6 C22 C23 177.9(13) . . . . ?
N6 N5 C21 C19 177.4(17) . . . . ?
N6 C22 C23 N7 -175.1(15) . . . . ?
N6 C22 C23 C24 3(3) . . . . ?
N7 C23 C24 N8 2(3) . . . . ?
N8 C25 C26 N7 -6(3) . . . . ?
C1 O1 C2 C3 1(3) . . . . ?
C1 O1 C2 C7 179.4(16) . . . . ?
C2 C3 C4 C5 6(3) . . . . ?
C3 C2 C7 O2 177.6(16) . . . . ?
C3 C2 C7 C6 -3(2) . . . . ?
C3 C4 C5 C6 -6(3) . . . . ?
C4 C5 C6 C7 1(2) . . . . ?
C4 C5 C6 C8 -179.3(15) . . . . ?
C5 C6 C7 O2 -177.6(15) . . . . ?
C5 C6 C7 C2 3(2) . . . . ?
C5 C6 C8 N1 173.4(15) . . . . ?
C7 C2 C3 C4 -1(3) . . . . ?
C7 C6 C8 N1 -7(2) . . . . ?
C8 N1 N2 C9 179.5(13) . . . . ?
C8 C6 C7 O2 3(2) . . . . ?
C8 C6 C7 C2 -176.4(13) . . . . ?
C9 C10 C11 N4 -178.3(18) . . . . ?
C10 N3 C13 C12 4(3) . . . . ?
C11 N4 C12 C13 3(3) . . . . ?
C12 N4 C11 C10 -1(3) . . . . ?
C13 N3 C10 C9 177.3(15) . . . . ?
C13 N3 C10 C11 -1(2) . . . . ?
C14 O4 C15 C16 6(3) . . . . ?
C14 O4 C15 C20 -177.1(17) . . . . ?
C15 C16 C17 C18 5(4) . . . . ?
C16 C15 C20 O5 -175.4(17) . . . . ?
C16 C15 C20 C19 4(3) . . . . ?
C16 C17 C18 C19 -1(4) . . . . ?
C17 C18 C19 C20 -1(3) . . . . ?
C17 C18 C19 C21 175(2) . . . . ?
C18 C19 C20 O5 179.0(19) . . . . ?
C18 C19 C20 C15 0(3) . . . . ?
C18 C19 C21 N5 176.3(19) . . . . ?
C20 C15 C16 C17 -6(3) . . . . ?
C20 C19 C21 N5 -7(3) . . . . ?
C21 N5 N6 C22 -174.3(15) . . . . ?
C21 C19 C20 O5 3(3) . . . . ?
C21 C19 C20 C15 -176.4(17) . . . . ?
C22 C23 C24 N8 -176.5(19) . . . . ?
C23 N7 C26 C25 3(3) . . . . ?
C24 N8 C25 C26 7(3) . . . . ?
C25 N8 C24 C23 -5(3) . . . . ?
C26 N7 C23 C22 177.6(14) . . . . ?
C26 N7 C23 C24 -1(2) . . . . ?
C27 C28 C29 C30 -70.2(18) . . . . ?
C27 C28 C33 C31 52.3(13) . . . . ?
C27 C28 C33 C34 171.1(14) . . . . ?
C27 C28 C33 C35 -65.8(15) . . . . ?
C27 C32 C37 O8 -6(3) . . . . ?
C27 C32 C37 C38 171.9(16) . . . . ?
C28 C27 C32 C31 0.7(18) . . . . ?
C28 C27 C32 C37 -176.6(15) . . . . ?
C28 C29 C30 C31 5(2) . . . . ?
C29 C28 C33 C31 -52.0(13) . . . . ?
C29 C28 C33 C34 66.8(17) . . . . ?
C29 C28 C33 C35 -170.1(13) . . . . ?
C29 C30 C31 C32 65.8(18) . . . . ?
C29 C30 C31 C33 -39.3(18) . . . . ?
C30 C31 C32 C27 -72.1(16) . . . . ?
C30 C31 C32 C37 105(2) . . . . ?
C30 C31 C33 C28 56.8(13) . . . . ?
C30 C31 C33 C34 -62.2(17) . . . . ?
C30 C31 C33 C35 172.4(13) . . . . ?
C31 C32 C37 O8 178.1(18) . . . . ?
C31 C32 C37 C38 -4(3) . . . . ?
C32 C27 C28 C29 68.3(17) . . . . ?
C32 C27 C28 C33 -35.0(17) . . . . ?
C32 C27 C28 C36 -162.2(15) . . . . ?
C32 C31 C33 C28 -53.5(13) . . . . ?
C32 C31 C33 C34 -172.5(14) . . . . ?
C32 C31 C33 C35 62.1(16) . . . . ?
C32 C37 C38 F1 -139.3(16) . . . . ?
C32 C37 C38 F2 -21(2) . . . . ?
C32 C37 C38 C39 101.1(19) . . . . ?
C33 C28 C29 C30 30.5(17) . . . . ?
C33 C31 C32 C27 34.3(15) . . . . ?
C33 C31 C32 C37 -149(2) . . . . ?
C36 C28 C29 C30 159.7(16) . . . . ?
C36 C28 C33 C31 179.4(13) . . . . ?
C36 C28 C33 C34 -61.8(19) . . . . ?
C36 C28 C33 C35 61.3(17) . . . . ?
C37 C38 C39 F3 58(2) . . . . ?
C37 C38 C39 F4 172.9(14) . . . . ?
C37 C38 C39 C40 -66(2) . . . . ?
C38 C39 C40 F5 59(2) . . . . ?
C38 C39 C40 F6 177.5(15) . . . . ?
C38 C39 C40 F7 -62(2) . . . . ?
C41 C42 C43 C44 -72.8(19) . . . . ?
C41 C42 C47 C45 52.2(16) . . . . ?
C41 C42 C47 C48 172.5(17) . . . . ?
C41 C42 C47 C49 -61(2) . . . . ?
C41 C46 C51 O10 -14(3) . . . . ?
C41 C46 C51 C52 165.1(18) . . . . ?
C42 C41 C46 C45 2.6(19) . . . . ?
C42 C41 C46 C51 -170.0(17) . . . . ?
C42 C43 C44 C45 6.5(19) . . . . ?
C43 C42 C47 C45 -53.0(16) . . . . ?
C43 C42 C47 C48 67(2) . . . . ?
C43 C42 C47 C49 -165.8(18) . . . . ?
C43 C44 C45 C46 65.8(18) . . . . ?
C43 C44 C45 C47 -39.5(16) . . . . ?
C44 C45 C46 C41 -72.9(17) . . . . ?
C44 C45 C46 C51 98(2) . . . . ?
C44 C45 C47 C42 57.0(15) . . . . ?
C44 C45 C47 C48 -64(2) . . . . ?
C44 C45 C47 C49 176.7(14) . . . . ?
C45 C46 C51 O10 176.5(17) . . . . ?
C45 C46 C51 C52 -5(3) . . . . ?
C46 C41 C42 C43 69(2) . . . . ?
C46 C41 C42 C47 -37(2) . . . . ?
C46 C41 C42 C50 -159(2) . . . . ?
C46 C45 C47 C42 -52.1(15) . . . . ?
C46 C45 C47 C48 -173.2(18) . . . . ?
C46 C45 C47 C49 67.6(17) . . . . ?
C46 C51 C52 F8 -149.2(17) . . . . ?
C46 C51 C52 F9 -29(3) . . . . ?
C46 C51 C52 C53 96(2) . . . . ?
C47 C42 C43 C44 30(2) . . . . ?
C47 C45 C46 C41 31.4(17) . . . . ?
C47 C45 C46 C51 -157.7(19) . . . . ?
C50 C42 C43 C44 160(2) . . . . ?
C50 C42 C47 C45 173.3(18) . . . . ?
C50 C42 C47 C48 -66(2) . . . . ?
C50 C42 C47 C49 61(3) . . . . ?
C51 C52 C53 F10 55(3) . . . . ?
C51 C52 C53 F11 -63(2) . . . . ?
C51 C52 C53 C54 175.4(17) . . . . ?
C52 C53 C54 F12 -68(3) . . . . ?
C52 C53 C54 F13 177.1(18) . . . . ?
C52 C53 C54 F14 65(3) . . . . ?
C56 N9 C55 O11 17(4) . . . . ?
C57 N9 C55 O11 -179(3) . . . . ?
C59 N10 C58 O12 -178.4(17) . . . . ?
C60 N10 C58 O12 2(3) . . . . ?
Dy3 O14 C67 C62 170.2(12) . . . . ?
Dy3 O14 C67 C66 -3(3) . . . . ?
Dy3 O15 C69 N12 20(2) . . . . ?
Dy3 O15 C69 C70 -157.4(10) . . . . ?
Dy3 O18 C82 N16 171.6(11) . . . . ?
Dy3 O18 C82 C83 -9.2(17) . . . . ?
Dy3 O19 C87 C88 -149.4(17) . . . . ?
Dy3 O19 C87 C92 25(3) . . . . ?
Dy3 O20 C97 C92 -12(5) . . . . ?
Dy3 O20 C97 C98 171.1(12) . . . . ?
Dy3 O23 C118 N19 175.4(13) . . . . ?
Dy3 N11 N12 C69 -12.4(17) . . . . ?
Dy3 N11 C68 C66 10(2) . . . . ?
Dy3 N17 C83 C82 9.7(16) . . . . ?
Dy3 N17 C83 C84 -168.0(12) . . . . ?
Dy3 N17 C86 C85 165.9(14) . . . . ?
Dy4 O15 C69 N12 -176.3(13) . . . . ?
Dy4 O15 C69 C70 6.6(19) . . . . ?
Dy4 O17 C80 C75 -166.0(13) . . . . ?
Dy4 O17 C80 C79 20(3) . . . . ?
Dy4 O18 C82 N16 -21.0(19) . . . . ?
Dy4 O18 C82 C83 158.2(9) . . . . ?
Dy4 O21 C101 C102 -147.2(13) . . . . ?
Dy4 O21 C101 C106 36(3) . . . . ?
Dy4 O22 C111 C106 -33(4) . . . . ?
Dy4 O22 C111 C112 142.8(17) . . . . ?
Dy4 O24 C115 N20 -178.5(14) . . . . ?
Dy4 N13 C70 C69 -10.0(17) . . . . ?
Dy4 N13 C70 C71 169.4(13) . . . . ?
Dy4 N13 C73 C72 -170.1(16) . . . . ?
Dy4 N15 N16 C82 10.9(15) . . . . ?
Dy4 N15 C81 C79 -5(2) . . . . ?
F22 C112 C113 F24 -178.7(17) . . . . ?
F22 C112 C113 F25 -60(3) . . . . ?
F22 C112 C113 C114 84(3) . . . . ?
F23 C112 C113 F24 -77(3) . . . . ?
F23 C112 C113 F25 41(4) . . . . ?
F23 C112 C113 C114 -174(3) . . . . ?
F24 C113 C114 F26 -167(2) . . . . ?
F24 C113 C114 F27 -43(3) . . . . ?
F24 C113 C114 F28 83(3) . . . . ?
F25 C113 C114 F26 76(4) . . . . ?
F25 C113 C114 F27 -160(3) . . . . ?
F25 C113 C114 F28 -35(4) . . . . ?
O13 C62 C63 C64 178.1(15) . . . . ?
O13 C62 C67 O14 9(2) . . . . ?
O13 C62 C67 C66 -177.8(14) . . . . ?
O15 C69 C70 N13 3(2) . . . . ?
O15 C69 C70 C71 -176.2(16) . . . . ?
O16 C75 C76 C77 -176.5(18) . . . . ?
O16 C75 C80 O17 1(2) . . . . ?
O16 C75 C80 C79 175.1(14) . . . . ?
O18 C82 C83 N17 -1.9(19) . . . . ?
O18 C82 C83 C84 175.9(15) . . . . ?
O19 C87 C88 C89 -108(3) . . . . ?
O19 C87 C88 C93 142(2) . . . . ?
O19 C87 C88 C96 32(3) . . . . ?
O19 C87 C92 C91 -179(2) . . . . ?
O19 C87 C92 C97 19(4) . . . . ?
O20 C97 C98 F15 155(2) . . . . ?
O20 C97 C98 F16 27(3) . . . . ?
O20 C97 C98 C99 -85(3) . . . . ?
O21 C101 C102 C103 -109(2) . . . . ?
O21 C101 C102 C107 148.6(17) . . . . ?
O21 C101 C102 C110 17(3) . . . . ?
O21 C101 C106 C105 179.4(19) . . . . ?
O21 C101 C106 C111 -10(4) . . . . ?
O22 C111 C112 F22 -27(3) . . . . ?
O22 C111 C112 F23 -135(3) . . . . ?
O22 C111 C112 C113 82(3) . . . . ?
N11 N12 C69 O15 -4(2) . . . . ?
N11 N12 C69 C70 173.2(12) . . . . ?
N12 N11 C68 C66 175.6(14) . . . . ?
N12 C69 C70 N13 -174.3(15) . . . . ?
N12 C69 C70 C71 6(2) . . . . ?
N13 C70 C71 N14 -1(3) . . . . ?
N14 C72 C73 N13 3(4) . . . . ?
N15 N16 C82 O18 6(2) . . . . ?
N15 N16 C82 C83 -173.3(12) . . . . ?
N16 N15 C81 C79 -173.8(15) . . . . ?
N16 C82 C83 N17 177.4(13) . . . . ?
N16 C82 C83 C84 -5(2) . . . . ?
N17 C83 C84 N18 -2(3) . . . . ?
N18 C85 C86 N17 3(3) . . . . ?
C61 O13 C62 C63 4(2) . . . . ?
C61 O13 C62 C67 178.6(15) . . . . ?
C62 C63 C64 C65 -2(3) . . . . ?
C63 C62 C67 O14 -176.7(14) . . . . ?
C63 C62 C67 C66 -3(2) . . . . ?
C63 C64 C65 C66 -1(3) . . . . ?
C64 C65 C66 C67 2(3) . . . . ?
C64 C65 C66 C68 -179.6(16) . . . . ?
C65 C66 C67 O14 173.8(15) . . . . ?
C65 C66 C67 C62 0(2) . . . . ?
C65 C66 C68 N11 -178.4(15) . . . . ?
C67 C62 C63 C64 4(2) . . . . ?
C67 C66 C68 N11 0(3) . . . . ?
C68 N11 N12 C69 -179.8(14) . . . . ?
C68 C66 C67 O14 -5(2) . . . . ?
C68 C66 C67 C62 -178.3(14) . . . . ?
C69 C70 C71 N14 178.7(19) . . . . ?
C70 N13 C73 C72 -4(3) . . . . ?
C71 N14 C72 C73 -1(4) . . . . ?
C72 N14 C71 C70 0(4) . . . . ?
C73 N13 C70 C69 -176.9(15) . . . . ?
C73 N13 C70 C71 3(3) . . . . ?
C74 O16 C75 C76 8(3) . . . . ?
C74 O16 C75 C80 -174.9(16) . . . . ?
C75 C76 C77 C78 -3(3) . . . . ?
C76 C75 C80 O17 177.9(17) . . . . ?
C76 C75 C80 C79 -8(2) . . . . ?
C76 C77 C78 C79 0(3) . . . . ?
C77 C78 C79 C80 -1(3) . . . . ?
C77 C78 C79 C81 -177.9(16) . . . . ?
C78 C79 C80 O17 178.8(17) . . . . ?
C78 C79 C80 C75 5(2) . . . . ?
C78 C79 C81 N15 175.8(16) . . . . ?
C80 C75 C76 C77 7(3) . . . . ?
C80 C79 C81 N15 -1(3) . . . . ?
C81 N15 N16 C82 -178.9(13) . . . . ?
C81 C79 C80 O17 -5(3) . . . . ?
C81 C79 C80 C75 -178.5(15) . . . . ?
C82 C83 C84 N18 -179.5(16) . . . . ?
C83 N17 C86 C85 -3(3) . . . . ?
C84 N18 C85 C86 -2(3) . . . . ?
C85 N18 C84 C83 2(3) . . . . ?
C86 N17 C83 C82 -179.5(14) . . . . ?
C86 N17 C83 C84 3(2) . . . . ?
C87 C88 C89 C90 -72(2) . . . . ?
C87 C88 C93 C91 55.5(19) . . . . ?
C87 C88 C93 C94 172(2) . . . . ?
C87 C88 C93 C95 -50(3) . . . . ?
C87 C92 C97 O20 -27(5) . . . . ?
C87 C92 C97 C98 150(2) . . . . ?
C88 C87 C92 C91 -3(2) . . . . ?
C88 C87 C92 C97 -165(2) . . . . ?
C88 C89 C90 C91 2(3) . . . . ?
C89 C88 C93 C91 -56(2) . . . . ?
C89 C88 C93 C94 61(3) . . . . ?
C89 C88 C93 C95 -161(3) . . . . ?
C89 C90 C91 C92 66(2) . . . . ?
C89 C90 C91 C93 -39(2) . . . . ?
C90 C91 C92 C87 -66(2) . . . . ?
C90 C91 C92 C97 88(4) . . . . ?
C90 C91 C93 C88 54.9(19) . . . . ?
C90 C91 C93 C94 -60(3) . . . . ?
C90 C91 C93 C95 177(2) . . . . ?
C91 C92 C97 O20 180(3) . . . . ?
C91 C92 C97 C98 -3(5) . . . . ?
C92 C87 C88 C89 76(2) . . . . ?
C92 C87 C88 C93 -34(2) . . . . ?
C92 C87 C88 C96 -143(2) . . . . ?
C92 C91 C93 C88 -56.8(19) . . . . ?
C92 C91 C93 C94 -172(2) . . . . ?
C92 C91 C93 C95 66(2) . . . . ?
C92 C97 C98 F15 -22(3) . . . . ?
C92 C97 C98 F16 -151(2) . . . . ?
C92 C97 C98 C99 97(2) . . . . ?
C93 C88 C89 C90 34(3) . . . . ?
C93 C91 C92 C87 41(2) . . . . ?
C93 C91 C92 C97 -165(4) . . . . ?
C96 C88 C89 C90 153(3) . . . . ?
C96 C88 C93 C91 171(2) . . . . ?
C96 C88 C93 C94 -72(3) . . . . ?
C96 C88 C93 C95 66(3) . . . . ?
C97 C98 C99 F17 -67.3(13) . . . . ?
C97 C98 C99 F18 54.6(13) . . . . ?
C97 C98 C99 C100 174.1(13) . . . . ?
C98 C99 C100 F19 176.4 . . . . ?
C98 C99 C100 F20 65.3 . . . . ?
C98 C99 C100 F21 -72.5 . . . . ?
F15 C98 C99 F17 58.9 . . . . ?
F15 C98 C99 F18 -179.2 . . . . ?
F15 C98 C99 C100 -59.7 . . . . ?
F16 C98 C99 F17 179.6 . . . . ?
F16 C98 C99 F18 -58.4 . . . . ?
F16 C98 C99 C100 61.1 . . . . ?
F17 C99 C100 F19 60.9 . . . . ?
F17 C99 C100 F20 -50.1 . . . . ?
F17 C99 C100 F21 172.1 . . . . ?
F18 C99 C100 F19 -63.2 . . . . ?
F18 C99 C100 F20 -174.2 . . . . ?
F18 C99 C100 F21 48.0 . . . . ?
C101 C102 C103 C104 -69.0(17) . . . . ?
C101 C102 C107 C105 50.7(14) . . . . ?
C101 C102 C107 C108 -64.8(18) . . . . ?
C101 C102 C107 C109 175.6(14) . . . . ?
C101 C106 C111 O22 7(4) . . . . ?
C101 C106 C111 C112 -168(2) . . . . ?
C102 C101 C106 C105 2(2) . . . . ?
C102 C101 C106 C111 173(2) . . . . ?
C102 C103 C104 C105 0(2) . . . . ?
C103 C102 C107 C105 -57.0(16) . . . . ?
C103 C102 C107 C108 -172.4(17) . . . . ?
C103 C102 C107 C109 67.9(19) . . . . ?
C103 C104 C105 C106 71.2(19) . . . . ?
C103 C104 C105 C107 -36.5(18) . . . . ?
C104 C105 C106 C101 -76(2) . . . . ?
C104 C105 C106 C111 115(3) . . . . ?
C104 C105 C107 C102 59.8(15) . . . . ?
C104 C105 C107 C108 175.1(14) . . . . ?
C104 C105 C107 C109 -63(2) . . . . ?
C105 C106 C111 O22 174(2) . . . . ?
C105 C106 C111 C112 -1(4) . . . . ?
C106 C101 C102 C103 69(2) . . . . ?
C106 C101 C102 C107 -34.1(19) . . . . ?
C106 C101 C102 C110 -166.1(18) . . . . ?
C106 C105 C107 C102 -50.0(18) . . . . ?
C106 C105 C107 C108 65(2) . . . . ?
C106 C105 C107 C109 -172.6(18) . . . . ?
C106 C111 C112 F22 149(2) . . . . ?
C106 C111 C112 F23 40(4) . . . . ?
C106 C111 C112 C113 -102(3) . . . . ?
C107 C102 C103 C104 35.5(18) . . . . ?
C107 C105 C106 C101 31(2) . . . . ?
C107 C105 C106 C111 -138(3) . . . . ?
C110 C102 C103 C104 165.2(17) . . . . ?
C110 C102 C107 C105 178.4(16) . . . . ?
C110 C102 C107 C108 63(2) . . . . ?
C110 C102 C107 C109 -57(2) . . . . ?
C111 C112 C113 F24 64(2) . . . . ?
C111 C112 C113 F25 -177(2) . . . . ?
C111 C112 C113 C114 -33(4) . . . . ?
C112 C113 C114 F26 -68(4) . . . . ?
C112 C113 C114 F27 56(4) . . . . ?
C112 C113 C114 F28 -179(3) . . . . ?
C116 N20 C115 O24 4(3) . . . . ?
C117 N20 C115 O24 -179(2) . . . . ?
C119 N19 C118 O23 2(3) . . . . ?
C120 N19 C118 O23 -176(2) . . . . ?

