# Supplementary Information (SI) 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. 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 2347435'
loop_
_audit_author_name
_audit_author_address
'Hongdao Li' 'Taiyuan Institute of Technology'
_audit_update_record             
;
2024-04-11 deposited with the CCDC.	2024-10-18 downloaded from the CCDC.
;
_audit_creation_date             2024-02-29
_audit_creation_method           
;
Olex2 1.5-ac6-017
(compiled 2024.02.01 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6920)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C79 H47 F54 Gd3 N8 O22)'
_chemical_formula_sum            'C158 H94 F108 Gd6 N16 O44'
_chemical_formula_weight         5915.99
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   21.319(4)
_cell_length_b                   24.086(4)
_cell_length_c                   25.171(5)
_cell_angle_alpha                75.925(7)
_cell_angle_beta                 78.350(7)
_cell_angle_gamma                74.502(7)
_cell_volume                     11951(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9558
_cell_measurement_temperature    193.15
_cell_measurement_theta_max      26.826
_cell_measurement_theta_min      2.362
_shelx_estimated_absorpt_T_max   0.788
_shelx_estimated_absorpt_T_min   0.714
_exptl_absorpt_coefficient_mu    1.790
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1646 before and 0.0848 after correction.
The Ratio of minimum to maximum transmission is 0.8243.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5724
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.202
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.0622
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            210286
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.977
_diffrn_ambient_temperature      193.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.6
_diffrn_source_power             0.08
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                30094
_reflns_number_total             41602
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5-ac6-017 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-017 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         1.564
_refine_diff_density_min         -1.491
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3714
_refine_ls_number_reflns         41602
_refine_ls_number_restraints     19113
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0575
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0698P)²+36.6201P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1434
_refine_ls_wR_factor_ref         0.1601
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C4-F1
 1.29 with sigma of 0.02
 C4-F4
 1.36 with sigma of 0.02
 C4-F6
 1.27 with sigma of 0.02
 C6-F8
 1.29 with sigma of 0.02
 C6-F10
 1.36 with sigma of 0.02
 C6-F12
 1.27 with sigma of 0.02
 C8-F14
 1.29 with sigma of 0.02
 C8-F16
 1.36 with sigma of 0.02
 C8-F18
 1.27 with sigma of 0.02
 C10-F20
 1.29 with sigma of 0.02
 C10-F22
 1.36 with sigma of 0.02
 C10-F24
 1.27 with sigma of 0.02
 C12-F26
 1.29 with sigma of 0.02
 C12-F28
 1.36 with sigma of 0.02
 C12-F30
 1.27 with sigma of 0.02
 C14-F32
 1.29 with sigma of 0.02
 C14-F34
 1.36 with sigma of 0.02
 C14-F36
 1.27 with sigma of 0.02
 C16-F38
 1.29 with sigma of 0.02
 C16-F40
 1.36 with sigma of 0.02
 C16-F42
 1.27 with sigma of 0.02
 C18-F44
 1.29 with sigma of 0.02
 C18-F46
 1.36 with sigma of 0.02
 C18-F48
 1.27 with sigma of 0.02
 C79-F50
 1.29 with sigma of 0.02
 C79-F52
 1.36 with sigma of 0.02
 C79-F54
 1.27 with sigma of 0.02
 C97-F56
 1.29 with sigma of 0.02
 C97-F58
 1.36 with sigma of 0.02
 C97-F60
 1.27 with sigma of 0.02
 C5-F62
 1.29 with sigma of 0.02
 C5-F64
 1.36 with sigma of 0.02
 C5-F66
 1.27 with sigma of 0.02
 C81-F68
 1.29 with sigma of 0.02
 C81-F70
 1.36 with sigma of 0.02
 C81-F72
 1.27 with sigma of 0.02
 C41-F74
 1.29 with sigma of 0.02
 C41-F76
 1.36 with sigma of 0.02
 C41-F78
 1.27 with sigma of 0.02
 C83-F80
 1.29 with sigma of 0.02
 C83-F82
 1.36 with sigma of 0.02
 C83-F84
 1.27 with sigma of 0.02
 C21-F86
 1.29 with sigma of 0.02
 C21-F88
 1.36 with sigma of 0.02
 C21-F90
 1.27 with sigma of 0.02
 C85-F92
 1.29 with sigma of 0.02
 C85-F94
 1.36 with sigma of 0.02
 C85-F96
 1.27 with sigma of 0.02
 C43-F98
 1.29 with sigma of 0.02
 C43-F100
 1.36 with sigma of 0.02
 C43-F102
 1.27 with sigma of 0.02
 C87-F104
 1.29 with sigma of 0.02
 C87-F106
 1.36 with sigma of 0.02
 C87-F108
 1.27 with sigma of 0.02
 C11-F27
 1.29 with sigma of 0.02
 C11-F55
 1.36 with sigma of 0.02
 C11-F7
 1.27 with sigma of 0.02
 C89-F57
 1.29 with sigma of 0.02
 C89-F29
 1.36 with sigma of 0.02
 C89-F59
 1.27 with sigma of 0.02
 C45-F15
 1.29 with sigma of 0.02
 C45-F61
 1.36 with sigma of 0.02
 C45-F31
 1.27 with sigma of 0.02
 C91-F63
 1.29 with sigma of 0.02
 C91-F2
 1.36 with sigma of 0.02
 C91-F65
 1.27 with sigma of 0.02
 C23-F33
 1.29 with sigma of 0.02
 C23-F67
 1.36 with sigma of 0.02
 C23-F17
 1.27 with sigma of 0.02
 C51-F69
 1.29 with sigma of 0.02
 C51-F35
 1.36 with sigma of 0.02
 C51-F71
 1.27 with sigma of 0.02
 C20-F9
 1.29 with sigma of 0.02
 C20-F73
 1.36 with sigma of 0.02
 C20-F37
 1.27 with sigma of 0.02
 C22-F75
 1.29 with sigma of 0.02
 C22-F19
 1.36 with sigma of 0.02
 C22-F77
 1.27 with sigma of 0.02
 C24-F39
 1.29 with sigma of 0.02
 C24-F79
 1.36 with sigma of 0.02
 C24-F5
 1.27 with sigma of 0.02
 C26-F81
 1.29 with sigma of 0.02
 C26-F41
 1.36 with sigma of 0.02
 C26-F83
 1.27 with sigma of 0.02
 C64-F21
 1.29 with sigma of 0.02
 C64-F85
 1.36 with sigma of 0.02
 C64-F43
 1.27 with sigma of 0.02
 C28-F87
 1.29 with sigma of 0.02
 C28-F11
 1.36 with sigma of 0.02
 C28-F89
 1.27 with sigma of 0.02
 C30-F45
 1.29 with sigma of 0.02
 C30-F91
 1.36 with sigma of 0.02
 C30-F23
 1.27 with sigma of 0.02
 C103-F93
 1.29 with sigma of 0.02
 C103-F47
 1.36 with sigma of 0.02
 C103-F95
 1.27 with sigma of 0.02
 C32-F3
 1.29 with sigma of 0.02
 C32-F97
 1.36 with sigma of 0.02
 C32-F49
 1.27 with sigma of 0.02
 C34-F99
 1.29 with sigma of 0.02
 C34-F25
 1.36 with sigma of 0.02
 C34-F101
 1.27 with sigma of 0.02
 C36-F51
 1.29 with sigma of 0.02
 C36-F103
 1.36 with sigma of 0.02
 C36-F13
 1.27 with sigma of 0.02
 C47-F105
 1.29 with sigma of 0.02
 C47-F53
 1.36 with sigma of 0.02
 C47-F107
 1.27 with sigma of 0.02
 C47-C155
 1.5 with sigma of 0.01
 C4-F1 \\sim C4-F4 \\sim C4-F6
 with sigma of 0.02
 F1-F4 \\sim F4-F6 \\sim F6-F1
 with sigma of 0.03
 C6-F8 \\sim C6-F10 \\sim C6-F12
 with sigma of 0.02
 F8-F10 \\sim F10-F12 \\sim F12-F8
 with sigma of 0.03
 C8-F14 \\sim C8-F16 \\sim C8-F18
 with sigma of 0.02
 F14-F16 \\sim F16-F18 \\sim F18-F14
 with sigma of 0.03
 C10-F20 \\sim C10-F22 \\sim C10-F24
 with sigma of 0.02
 F20-F22 \\sim F22-F24 \\sim F24-F20
 with sigma of 0.03
 C12-F26 \\sim C12-F28 \\sim C12-F30
 with sigma of 0.02
 F26-F28 \\sim F28-F30 \\sim F30-F26
 with sigma of 0.03
 C14-F32 \\sim C14-F34 \\sim C14-F36
 with sigma of 0.02
 F32-F34 \\sim F34-F36 \\sim F36-F32
 with sigma of 0.03
 C16-F38 \\sim C16-F40 \\sim C16-F42
 with sigma of 0.02
 F38-F40 \\sim F40-F42 \\sim F42-F38
 with sigma of 0.03
 C18-F44 \\sim C18-F46 \\sim C18-F48
 with sigma of 0.02
 F44-F46 \\sim F46-F48 \\sim F48-F44
 with sigma of 0.03
 C79-F50 \\sim C79-F52 \\sim C79-F54
 with sigma of 0.02
 F50-F52 \\sim F52-F54 \\sim F54-F50
 with sigma of 0.03
 C97-F56 \\sim C97-F58 \\sim C97-F60
 with sigma of 0.02
 F56-F58 \\sim F58-F60 \\sim F60-F56
 with sigma of 0.03
 C5-F62 \\sim C5-F64 \\sim C5-F66
 with sigma of 0.02
 F62-F64 \\sim F64-F66 \\sim F66-F62
 with sigma of 0.03
 C81-F68 \\sim C81-F70 \\sim C81-F72
 with sigma of 0.02
 F68-F70 \\sim F70-F72 \\sim F72-F68
 with sigma of 0.03
 C41-F74 \\sim C41-F76 \\sim C41-F78
 with sigma of 0.02
 F74-F76 \\sim F76-F78 \\sim F78-F74
 with sigma of 0.03
 C83-F80 \\sim C83-F82 \\sim C83-F84
 with sigma of 0.02
 F80-F82 \\sim F82-F84 \\sim F84-F80
 with sigma of 0.03
 C21-F86 \\sim C21-F88 \\sim C21-F90
 with sigma of 0.02
 F86-F88 \\sim F88-F90 \\sim F90-F86
 with sigma of 0.03
 C85-F92 \\sim C85-F94 \\sim C85-F96
 with sigma of 0.02
 F92-F94 \\sim F94-F96 \\sim F96-F92
 with sigma of 0.03
 C43-F98 \\sim C43-F100 \\sim C43-F102
 with sigma of 0.02
 F98-F100 \\sim F100-F102 \\sim F102-F98
 with sigma of 0.03
 C87-F104 \\sim C87-F106 \\sim C87-F108
 with sigma of 0.02
 F104-F106 \\sim F106-F108 \\sim F108-F104
 with sigma of 0.03
 C11-F27 \\sim C11-F55 \\sim C11-F7
 with sigma of 0.02
 F27-F55 \\sim F55-F7 \\sim F7-F27
 with sigma of 0.03
 C89-F57 \\sim C89-F29 \\sim C89-F59
 with sigma of 0.02
 F57-F29 \\sim F29-F59 \\sim F59-F57
 with sigma of 0.03
 C45-F15 \\sim C45-F61 \\sim C45-F31
 with sigma of 0.02
 F15-F61 \\sim F61-F31 \\sim F31-F15
 with sigma of 0.03
 C91-F63 \\sim C91-F2 \\sim C91-F65
 with sigma of 0.02
 F63-F2 \\sim F2-F65 \\sim F65-F63
 with sigma of 0.03
 C23-F33 \\sim C23-F67 \\sim C23-F17
 with sigma of 0.02
 F33-F67 \\sim F67-F17 \\sim F17-F33
 with sigma of 0.03
 C51-F69 \\sim C51-F35 \\sim C51-F71
 with sigma of 0.02
 F69-F35 \\sim F35-F71 \\sim F71-F69
 with sigma of 0.03
 C20-F9 \\sim C20-F73 \\sim C20-F37
 with sigma of 0.02
 F9-F73 \\sim F73-F37 \\sim F37-F9
 with sigma of 0.03
 C22-F75 \\sim C22-F19 \\sim C22-F77
 with sigma of 0.02
 F75-F19 \\sim F19-F77 \\sim F77-F75
 with sigma of 0.03
 C24-F39 \\sim C24-F79 \\sim C24-F5
 with sigma of 0.02
 F39-F79 \\sim F79-F5 \\sim F5-F39
 with sigma of 0.03
 C26-F81 \\sim C26-F41 \\sim C26-F83
 with sigma of 0.02
 F81-F41 \\sim F41-F83 \\sim F83-F81
 with sigma of 0.03
 C64-F21 \\sim C64-F85 \\sim C64-F43
 with sigma of 0.02
 F21-F85 \\sim F85-F43 \\sim F43-F21
 with sigma of 0.03
 C28-F87 \\sim C28-F11 \\sim C28-F89
 with sigma of 0.02
 F87-F11 \\sim F11-F89 \\sim F89-F87
 with sigma of 0.03
 C30-F45 \\sim C30-F91 \\sim C30-F23
 with sigma of 0.02
 F45-F91 \\sim F91-F23 \\sim F23-F45
 with sigma of 0.03
 C103-F93 \\sim C103-F47 \\sim C103-F95
 with sigma of 0.02
 F93-F47 \\sim F47-F95 \\sim F95-F93
 with sigma of 0.03
 C32-F3 \\sim C32-F97 \\sim C32-F49
 with sigma of 0.02
 F3-F97 \\sim F97-F49 \\sim F49-F3
 with sigma of 0.03
 C34-F99 \\sim C34-F25 \\sim C34-F101
 with sigma of 0.02
 F99-F25 \\sim F25-F101 \\sim F101-F99
 with sigma of 0.03
 C36-F51 \\sim C36-F103 \\sim C36-F13
 with sigma of 0.02
 F51-F103 \\sim F103-F13 \\sim F13-F51
 with sigma of 0.03
 C47-F105 \\sim C47-F53 \\sim C47-F107
 with sigma of 0.02
 F105-F53 \\sim F53-F107 \\sim F107-F105
 with sigma of 0.03
 F3-C32 \\sim F3A-C32
 with sigma of 0.02
 F49-C32 \\sim F49A-C32
 with sigma of 0.02
 F97-C32 \\sim F97A-C32
 with sigma of 0.02
 F5-C24 \\sim F5A-C24
 with sigma of 0.02
 F39-C24 \\sim F39A-C24
 with sigma of 0.02
 F79-C24 \\sim F79A-C24
 with sigma of 0.02
 F11-C28 \\sim F11A-C28
 with sigma of 0.02
 F87-C28 \\sim F87A-C28
 with sigma of 0.02
 F89-C28 \\sim F89A-C28
 with sigma of 0.02
 F13-C36 \\sim F13A-C36
 with sigma of 0.02
 F51-C36 \\sim F51A-C36
 with sigma of 0.02
 F103-C36 \\sim F109-C36
 with sigma of 0.02
 F14-C8 \\sim F14A-C8
 with sigma of 0.02
 F16-C8 \\sim F16A-C8
 with sigma of 0.02
 F18-C8 \\sim F18A-C8
 with sigma of 0.02
 F26-C12 \\sim F26A-C12
 with sigma of 0.02
 F28-C12 \\sim F28A-C12
 with sigma of 0.02
 F30-C12 \\sim F30A-C12
 with sigma of 0.02
 F32-C14 \\sim F32A-C14
 with sigma of 0.02
 F34-C14 \\sim F34A-C14
 with sigma of 0.02
 F36-C14 \\sim F36A-C14
 with sigma of 0.02
 F41-C26 \\sim F41A-C26
 with sigma of 0.02
 F81-C26 \\sim F81A-C26
 with sigma of 0.02
 F83-C26 \\sim F83A-C26
 with sigma of 0.02
 F44-C18 \\sim F44A-C18
 with sigma of 0.02
 F46-C18 \\sim F46A-C18
 with sigma of 0.02
 F48-C18 \\sim F48A-C18
 with sigma of 0.02
 F19-C22 \\sim F19A-C22
 with sigma of 0.02
 F75-C22 \\sim F75A-C22
 with sigma of 0.02
 F77-C22 \\sim F77A-C22
 with sigma of 0.02
 F21-C64 \\sim F21A-C64
 with sigma of 0.02
 F43-C64 \\sim F43A-C64
 with sigma of 0.02
 F85-C64 \\sim F85A-C64
 with sigma of 0.02
 F25-C34 \\sim F25A-C34
 with sigma of 0.02
 F99-C34 \\sim F99A-C34
 with sigma of 0.02
 F101-C34 \\sim F110-C34
 with sigma of 0.02
 F17-C23 \\sim F17A-C23
 with sigma of 0.02
 F33-C23 \\sim F33A-C23
 with sigma of 0.02
 F67-C23 \\sim F67A-C23
 with sigma of 0.02
 F35-C51 \\sim F35A-C51
 with sigma of 0.02
 F69-C51 \\sim F69A-C51
 with sigma of 0.02
 F71-C51 \\sim F71A-C51
 with sigma of 0.02
 F92-C85 \\sim F92A-C85
 with sigma of 0.02
 F94-C85 \\sim F94A-C85
 with sigma of 0.02
 F96-C85 \\sim F96A-C85
 with sigma of 0.02
 F86-C21 \\sim F86A-C21
 with sigma of 0.02
 F88-C21 \\sim F88A-C21
 with sigma of 0.02
 F90-C21 \\sim F90A-C21
 with sigma of 0.02
 F74-C41 \\sim F74A-C41
 with sigma of 0.02
 F76-C41 \\sim F76A-C41
 with sigma of 0.02
 F78-C41 \\sim F78A-C41
 with sigma of 0.02
 F47-C103 \\sim F47A-C103
 with sigma of 0.02
 F93-C103 \\sim F93A-C103
 with sigma of 0.02
 F95-C103 \\sim F95A-C103
 with sigma of 0.02
 F2-C91 \\sim F2A-C91
 with sigma of 0.02
 F63-C91 \\sim F63A-C91
 with sigma of 0.02
 F65-C91 \\sim F65A-C91
 with sigma of 0.02
 F62-C5 \\sim F62A-C5
 with sigma of 0.02
 F64-C5 \\sim F64A-C5
 with sigma of 0.02
 F66-C5 \\sim F66A-C5
 with sigma of 0.02
 F68-C81 \\sim F68A-C81A
 with sigma of 0.02
 F70-C81 \\sim F70A-C81A
 with sigma of 0.02
 F72-C81 \\sim F72A-C81A
 with sigma of 0.02
 C81-C147 \\sim C81A-C147
 with sigma of 0.02
 F68-F70 \\sim F68A-F70A
 with sigma of 0.04
 F68-F72 \\sim F68A-F72A
 with sigma of 0.04
 F68-C147 \\sim F68A-C147
 with sigma of 0.04
 F70-F72 \\sim F70A-F72A
 with sigma of 0.04
 F70-C147 \\sim F70A-C147
 with sigma of 0.04
 F72-C147 \\sim F72A-C147
 with sigma of 0.04
 F53-C47 \\sim F53A-C47
 with sigma of 0.02
 F105-C47 \\sim F1A-C47
 with sigma of 0.02
 F107-C47 \\sim F111-C47
 with sigma of 0.02
 F50-C79 \\sim F50A-C79
 with sigma of 0.02
 F52-C79 \\sim F52A-C79
 with sigma of 0.02
 F54-C79 \\sim F54A-C79
 with sigma of 0.02
 F98-C43 \\sim F98A-C43
 with sigma of 0.02
 F100-C43 \\sim F112-C43
 with sigma of 0.02
 F102-C43 \\sim F1B-C43
 with sigma of 0.02
 F104-C87 \\sim F1C-C87
 with sigma of 0.02
 F106-C87 \\sim F113-C87
 with sigma of 0.02
 F108-C87 \\sim F1D-C87
 with sigma of 0.02
3. Rigid bond restraints
 F49A, F97, F97A, F3, F3A, F49, C32
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F79A, F79, F39A, F39, F5A, F5, C24
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F9, F73, F37, C20
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F11, F87, F89, C28, F11A, F89A, F87A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F13, F51, F103, C36, F13A, F109, F51A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F14, F16, F18, C8, F14A, F18A, F16A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F22, C10, F24, F20
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F23, C30, F45, F91
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F30A, F30, F26A, F26, F28A, F28, C12
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F34, F32A, F32, F36A, F36, F34A, C14
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F81, F81A, F41A, F41, F83, C26, F83A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F44, F46, F48, C18, F46A, F44A, F48A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F19, F75, F77, C22, F75A, F19A, F77A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F21, F43, F85, C64, F85A, F21A, F43A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F25, F99, F101, C34, F99A, F25A, F110
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F7, C11, F55, F27
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F17, F33, F67, C23, F33A, F67A, F17A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F35, F69, F71, C51, F69A, F71A, F35A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F92, F94, F96, C85, F94A, F92A, F96A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F86, F88, F90, C21, F88A, F86A, F90A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F74, F76, F78, C41, F76A, F78A, F74A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F93A, F95, F95A, F47, C103, F93, F47A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F2, F63, F65, C91, F63A, F65A, F2A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F68, F70, F72, C81, F68A, C81A, F70A, F72A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F105, F107, C47, F111, F53A, F1A, F53
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F84, C83, F80, F82
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F62, F64, F66, C5, F64A, F66A, F62A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F50, F52, F54, C79, F54A, F52A, F50A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F100, F112, F98, F98A, F102, F1B, C43
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 F1C, F104, F1D, C87, F113, F108, F106
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 O37, O35, O17, Gd2, O3, O33, O11, O2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Gd5, O19, O39, O21, O43, F88, O41, O5
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 Gd1, O30, O32, O6, O22, O24, O1, O26, O28
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
C1 \\sim C4 \\sim C6 \\sim C8 \\sim C10 \\sim C12 \\sim C14 \\sim C16 \\sim C18
\\sim C20 \\sim C22 \\sim C24 \\sim C26 \\sim C28 \\sim C30 \\sim C32 \\sim C34
\\sim C36 \\sim C38 \\sim C40 \\sim C42 \\sim C44 \\sim C46 \\sim C48 \\sim C50
\\sim C52 \\sim C54 \\sim C56 \\sim C58 \\sim C60 \\sim C62 \\sim C64 \\sim C66
\\sim C68 \\sim C70 \\sim C72 \\sim C74 \\sim C76 \\sim C78 \\sim C80 \\sim C82
\\sim C84 \\sim C86 \\sim C88 \\sim C90 \\sim C92 \\sim C94 \\sim C96 \\sim C98
\\sim C100 \\sim C102 \\sim C104 \\sim C106 \\sim C108 \\sim C110 \\sim C112
\\sim C114 \\sim C116 \\sim C118 \\sim C120 \\sim C122 \\sim C124 \\sim C126
\\sim C128 \\sim C130 \\sim C132 \\sim C134 \\sim C136 \\sim C138 \\sim C140
\\sim C142 \\sim C144 \\sim C146 \\sim C148 \\sim C150 \\sim C152 \\sim C154
\\sim C156 \\sim C158 \\sim C2 \\sim C3 \\sim C5 \\sim C7 \\sim C9 \\sim C11
\\sim C13 \\sim C15 \\sim C17 \\sim C19 \\sim C21 \\sim C23 \\sim C25 \\sim C27
\\sim C29 \\sim C31 \\sim C33 \\sim C35 \\sim C37 \\sim C39 \\sim C41 \\sim C43
\\sim C45 \\sim C47 \\sim C49 \\sim C51 \\sim C53 \\sim C55 \\sim C57 \\sim C59
\\sim C61 \\sim C63 \\sim C65 \\sim C67 \\sim C69 \\sim C71 \\sim C73 \\sim C75
\\sim C77 \\sim C79 \\sim C81 \\sim C83 \\sim C85 \\sim C87 \\sim C89 \\sim C91
\\sim C93 \\sim C95 \\sim C97 \\sim C99 \\sim C101 \\sim C103 \\sim C105 \\sim
C107 \\sim C109 \\sim C111 \\sim C113 \\sim C115 \\sim C117 \\sim C119 \\sim
C121 \\sim C123 \\sim C125 \\sim C127 \\sim C129 \\sim C131 \\sim C133 \\sim
C135 \\sim C137 \\sim C139 \\sim C141 \\sim C143 \\sim C145 \\sim C147 \\sim
C149 \\sim C151 \\sim C153 \\sim C155 \\sim C157 \\sim C81A \\sim N1 \\sim N4
\\sim N6 \\sim N8 \\sim N10 \\sim N12 \\sim N14 \\sim N16 \\sim N2 \\sim N3
\\sim N5 \\sim N7 \\sim N9 \\sim N11 \\sim N13 \\sim N15 \\sim O1 \\sim O4
\\sim O6 \\sim O8 \\sim O10 \\sim O12 \\sim O14 \\sim O16 \\sim O18 \\sim O20
\\sim O22 \\sim O24 \\sim O26 \\sim O28 \\sim O30 \\sim O32 \\sim O34 \\sim O36
\\sim O38 \\sim O40 \\sim O42 \\sim O44 \\sim O2 \\sim O3 \\sim O5 \\sim O7
\\sim O9 \\sim O11 \\sim O13 \\sim O15 \\sim O17 \\sim O19 \\sim O21 \\sim O23
\\sim O25 \\sim O27 \\sim O29 \\sim O31 \\sim O33 \\sim O35 \\sim O37 \\sim O39
\\sim O41 \\sim O43: within 5A with sigma of 0.01 and sigma for terminal atoms
of 0.02 within 5A
F1 \\sim F3 \\sim F4 \\sim F5 \\sim F6 \\sim F8 \\sim F9 \\sim F10 \\sim F11
\\sim F12 \\sim F13 \\sim F14 \\sim F16 \\sim F18 \\sim F19 \\sim F20 \\sim F21
\\sim F22 \\sim F23 \\sim F24 \\sim F25 \\sim F26 \\sim F28 \\sim F30 \\sim F32
\\sim F34 \\sim F36 \\sim F37 \\sim F38 \\sim F39 \\sim F40 \\sim F41 \\sim F42
\\sim F43 \\sim F44 \\sim F45 \\sim F46 \\sim F48 \\sim F49 \\sim F51 \\sim F73
\\sim F75 \\sim F77 \\sim F79 \\sim F81 \\sim F83 \\sim F85 \\sim F87 \\sim F89
\\sim F91 \\sim F97 \\sim F99 \\sim F101 \\sim F103 \\sim F2 \\sim F7 \\sim F15
\\sim F17 \\sim F27 \\sim F29 \\sim F31 \\sim F33 \\sim F35 \\sim F47 \\sim F50
\\sim F52 \\sim F53 \\sim F54 \\sim F55 \\sim F56 \\sim F57 \\sim F58 \\sim F59
\\sim F60 \\sim F61 \\sim F62 \\sim F63 \\sim F64 \\sim F65 \\sim F66 \\sim F67
\\sim F68 \\sim F69 \\sim F70 \\sim F71 \\sim F72 \\sim F74 \\sim F76 \\sim F78
\\sim F80 \\sim F82 \\sim F84 \\sim F86 \\sim F88 \\sim F90 \\sim F92 \\sim F93
\\sim F94 \\sim F95 \\sim F96 \\sim F98 \\sim F100 \\sim F102 \\sim F104 \\sim
F105 \\sim F106 \\sim F107 \\sim F108 \\sim F49A \\sim F97A \\sim F3A \\sim F5A
\\sim F79A \\sim F39A \\sim F11A \\sim F89A \\sim F87A \\sim F13A \\sim F109
\\sim F51A \\sim F14A \\sim F18A \\sim F16A \\sim F30A \\sim F28A \\sim F26A
\\sim F32A \\sim F34A \\sim F36A \\sim F41A \\sim F81A \\sim F83A \\sim F46A
\\sim F44A \\sim F48A \\sim F75A \\sim F19A \\sim F77A \\sim F85A \\sim F21A
\\sim F43A \\sim F99A \\sim F25A \\sim F110 \\sim F33A \\sim F67A \\sim F17A
\\sim F69A \\sim F71A \\sim F35A \\sim F94A \\sim F92A \\sim F96A \\sim F88A
\\sim F86A \\sim F90A \\sim F76A \\sim F78A \\sim F74A \\sim F47A \\sim F93A
\\sim F95A \\sim F63A \\sim F65A \\sim F2A \\sim F64A \\sim F66A \\sim F62A
\\sim F68A \\sim F70A \\sim F72A \\sim F111 \\sim F53A \\sim F1A \\sim F54A
\\sim F52A \\sim F50A \\sim F98A \\sim F112 \\sim F1B \\sim F113 \\sim F1C
\\sim F1D: within 5A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 5A
Uanis(F62) \\sim Ueq, Uanis(F64) \\sim Ueq, Uanis(F66) \\sim Ueq, Uanis(C5)
\\sim Ueq, Uanis(F64A) \\sim Ueq, Uanis(F66A) \\sim Ueq, Uanis(F62A) \\sim Ueq:
with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F48A) \\sim Ueq, Uanis(F48) \\sim Ueq, Uanis(F44A) \\sim Ueq, Uanis(F44)
\\sim Ueq, Uanis(F46) \\sim Ueq, Uanis(F46A) \\sim Ueq, Uanis(C18) \\sim Ueq:
with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F94) \\sim Ueq, Uanis(F94A) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(F92A)
\\sim Ueq, Uanis(F92) \\sim Ueq, Uanis(F96A) \\sim Ueq, Uanis(F96) \\sim Ueq:
with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F94A) \\sim Ueq, Uanis(F94) \\sim Ueq, Uanis(F92A) \\sim Ueq, Uanis(F96A)
\\sim Ueq, Uanis(F96) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(F92) \\sim Ueq:
with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Others
 Sof(F49A)=Sof(F97A)=Sof(F3A)=1-FVAR(1)
 Sof(F3)=Sof(F49)=Sof(F97)=FVAR(1)
 Sof(F5A)=Sof(F79A)=Sof(F39A)=1-FVAR(2)
 Sof(F5)=Sof(F39)=Sof(F79)=FVAR(2)
 Sof(F11A)=Sof(F89A)=Sof(F87A)=1-FVAR(3)
 Sof(F11)=Sof(F87)=Sof(F89)=FVAR(3)
 Sof(F13A)=Sof(F109)=Sof(F51A)=1-FVAR(4)
 Sof(F13)=Sof(F51)=Sof(F103)=FVAR(4)
 Sof(F14A)=Sof(F18A)=Sof(F16A)=1-FVAR(5)
 Sof(F14)=Sof(F16)=Sof(F18)=FVAR(5)
 Sof(F30A)=Sof(F28A)=Sof(F26A)=1-FVAR(6)
 Sof(F26)=Sof(F28)=Sof(F30)=FVAR(6)
 Sof(F32A)=Sof(F34A)=Sof(F36A)=1-FVAR(7)
 Sof(F32)=Sof(F34)=Sof(F36)=FVAR(7)
 Sof(F41A)=Sof(F81A)=Sof(F83A)=1-FVAR(8)
 Sof(F41)=Sof(F81)=Sof(F83)=FVAR(8)
 Sof(F46A)=Sof(F44A)=Sof(F48A)=1-FVAR(9)
 Sof(F44)=Sof(F46)=Sof(F48)=FVAR(9)
 Sof(F75A)=Sof(F19A)=Sof(F77A)=1-FVAR(10)
 Sof(F19)=Sof(F75)=Sof(F77)=FVAR(10)
 Sof(F85A)=Sof(F21A)=Sof(F43A)=1-FVAR(11)
 Sof(F21)=Sof(F43)=Sof(F85)=FVAR(11)
 Sof(F99A)=Sof(F25A)=Sof(F110)=1-FVAR(12)
 Sof(F25)=Sof(F99)=Sof(F101)=FVAR(12)
 Sof(F33A)=Sof(F67A)=Sof(F17A)=1-FVAR(13)
 Sof(F17)=Sof(F33)=Sof(F67)=FVAR(13)
 Sof(F69A)=Sof(F71A)=Sof(F35A)=1-FVAR(14)
 Sof(F35)=Sof(F69)=Sof(F71)=FVAR(14)
 Sof(F94A)=Sof(F92A)=Sof(F96A)=1-FVAR(15)
 Sof(F92)=Sof(F94)=Sof(F96)=FVAR(15)
 Sof(F88A)=Sof(F86A)=Sof(F90A)=1-FVAR(16)
 Sof(F86)=Sof(F88)=Sof(F90)=FVAR(16)
 Sof(F76A)=Sof(F78A)=Sof(F74A)=1-FVAR(17)
 Sof(F74)=Sof(F76)=Sof(F78)=FVAR(17)
 Sof(F47A)=Sof(F93A)=Sof(F95A)=1-FVAR(18)
 Sof(F47)=Sof(F93)=Sof(F95)=FVAR(18)
 Sof(F63A)=Sof(F65A)=Sof(F2A)=1-FVAR(19)
 Sof(F2)=Sof(F63)=Sof(F65)=FVAR(19)
 Sof(F64A)=Sof(F66A)=Sof(F62A)=1-FVAR(20)
 Sof(F62)=Sof(F64)=Sof(F66)=FVAR(20)
 Sof(F68A)=Sof(C81A)=Sof(F70A)=Sof(F72A)=1-FVAR(21)
 Sof(F68)=Sof(F70)=Sof(F72)=Sof(C81)=FVAR(21)
 Sof(F111)=Sof(F53A)=Sof(F1A)=1-FVAR(22)
 Sof(F53)=Sof(F105)=Sof(F107)=FVAR(22)
 Sof(F54A)=Sof(F52A)=Sof(F50A)=1-FVAR(23)
 Sof(F50)=Sof(F52)=Sof(F54)=FVAR(23)
 Sof(F98A)=Sof(F112)=Sof(F1B)=1-FVAR(24)
 Sof(F98)=Sof(F100)=Sof(F102)=FVAR(24)
 Sof(F113)=Sof(F1C)=Sof(F1D)=1-FVAR(25)
 Sof(F104)=Sof(F106)=Sof(F108)=FVAR(25)
6.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C40(H40), C44(H44), C48(H48), C54(H54), C58(H58), C60(H60), C78(H78),
 C80(H80), C82(H82), C84(H84), C90(H90), C94(H94), C96(H96), C100(H100),
 C106(H106), C112(H112), C118(H118), C124(H124), C130(H130), C136(H136),
 C142(H142), C148(H148), C3(H3), C17(H17), C25(H25), C27(H27), C29(H29),
 C37(H37), C49(H49), C61(H61), C63(H63), C65(H65), C77(H77), C95(H95), C99(H99),
  C111(H111), C115(H115), C119(H119), C125(H125), C127(H127), C129(H129),
 C135(H135), C139(H139), C145(H145), C151(H151)
6.b Idealised Me refined as rotating group:
 C46(H46A,H46B,H46C), C70(H70A,H70B,H70C), C72(H72A,H72B,H72C), C74(H74A,H74B,
 H74C), C76(H76A,H76B,H76C), C152(H15A,H15B,H15C), C156(H15D,H15E,H15F),
 C158(H15G,H15H,H15I), C57(H57A,H57B,H57C), C59(H59A,H59B,H59C), C67(H67A,H67B,
 H67C), C71(H71A,H71B,H71C), C105(H10A,H10B,H10C), C107(H10D,H10E,H10F),
 C133(H13A,H13B,H13C), C141(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Gd1 Gd 0.21116(2) 0.85565(2) 0.25301(2) 0.03974(9) Uani 1 1 d . U . . .
Gd4 Gd 0.19736(2) 1.12492(2) 0.40064(2) 0.05654(11) Uani 1 1 d . . . . .
Gd6 Gd 0.14994(2) 0.52384(2) 0.31529(2) 0.05871(11) Uani 1 1 d . . . . .
F1 F -0.0588(2) 1.2566(3) 0.4737(2) 0.0936(16) Uani 1 1 d D U . . .
F3 F 0.2909(5) 0.9396(5) 0.4126(5) 0.100(2) Uani 0.578(7) 1 d D U P A 1
F4 F -0.0486(2) 1.1878(2) 0.4308(2) 0.0873(15) Uani 1 1 d D U . . .
F5 F 0.0405(4) 0.7447(5) 0.2811(3) 0.090(2) Uani 0.611(7) 1 d D U P B 1
F6 F -0.0164(3) 1.2650(2) 0.3884(2) 0.0937(16) Uani 1 1 d D U . . .
F8 F 0.1328(3) 1.1537(3) 0.6058(2) 0.129(2) Uani 1 1 d D U . . .
F9 F 0.0193(4) 0.4912(4) 0.1802(4) 0.150(2) Uani 1 1 d D U . . .
F10 F 0.1037(3) 1.2449(3) 0.5802(2) 0.114(2) Uani 1 1 d D U . . .
F11 F 0.3252(6) 0.4711(5) 0.1577(6) 0.124(3) Uani 0.604(8) 1 d D U P C 1
F12 F 0.2033(3) 1.2010(3) 0.5621(2) 0.1097(18) Uani 1 1 d D U . . .
F13 F 0.4024(6) 0.9620(5) 0.4835(5) 0.118(2) Uani 0.561(8) 1 d D U P D 1
F14 F 0.3931(4) 1.2091(5) 0.3503(6) 0.117(3) Uani 0.677(13) 1 d D U P E 1
F16 F 0.3242(6) 1.2709(6) 0.3954(4) 0.113(3) Uani 0.677(13) 1 d D U P E 1
F18 F 0.3561(7) 1.2942(6) 0.3077(5) 0.129(3) Uani 0.677(13) 1 d D U P E 1
F19 F -0.1045(4) 0.6159(5) 0.4331(4) 0.124(2) Uani 0.818(9) 1 d D U P F 1
F20 F 0.2101(4) 1.2877(4) 0.1937(3) 0.151(2) Uani 1 1 d D U . . .
F21 F 0.0571(5) 0.3616(7) 0.4340(7) 0.126(3) Uani 0.563(10) 1 d D U P G 1
F22 F 0.1176(3) 1.2698(3) 0.2331(3) 0.145(2) Uani 1 1 d D U . . .
F23 F 0.3688(3) 0.3926(3) 0.3830(3) 0.137(2) Uani 1 1 d D U . . .
F24 F 0.1911(4) 1.2036(3) 0.2027(3) 0.139(2) Uani 1 1 d D U . . .
F25 F 0.1514(8) 0.9643(7) 0.6010(4) 0.130(3) Uani 0.544(8) 1 d D U P H 1
F26 F 0.0661(4) 0.9279(4) 0.4517(3) 0.0922(17) Uani 0.782(10) 1 d D U P I 1
F28 F 0.0699(4) 0.8413(3) 0.4409(4) 0.101(2) Uani 0.782(10) 1 d D U P I 1
F30 F 0.0182(3) 0.9170(4) 0.3917(4) 0.0831(19) Uani 0.782(10) 1 d D U P I 1
F32 F 0.2292(5) 0.7618(4) 0.4552(3) 0.1072(19) Uani 0.803(9) 1 d D U P J 1
F34 F 0.3137(3) 0.7148(4) 0.4092(3) 0.0896(18) Uani 0.803(9) 1 d D U P J 1
F36 F 0.2341(5) 0.6745(3) 0.4483(3) 0.1023(19) Uani 0.803(9) 1 d D U P J 1
F37 F 0.0708(3) 0.4039(3) 0.1799(3) 0.140(2) Uani 1 1 d D U . . .
F38 F 0.1366(3) 0.8348(3) 0.0849(2) 0.1004(17) Uani 1 1 d D U . . .
F39 F 0.0109(5) 0.7846(4) 0.3491(5) 0.102(2) Uani 0.611(7) 1 d D U P B 1
F40 F 0.2323(3) 0.7814(2) 0.0754(2) 0.0973(17) Uani 1 1 d D U . . .
F41 F 0.1583(7) 0.5121(6) 0.5107(5) 0.111(3) Uani 0.513(10) 1 d D U P K 1
F42 F 0.2104(3) 0.8652(3) 0.02264(19) 0.0972(16) Uani 1 1 d D U . . .
F43 F 0.1330(7) 0.3043(6) 0.3941(6) 0.115(3) Uani 0.563(10) 1 d D U P G 1
F44 F 0.3258(6) 0.9877(5) 0.0505(3) 0.104(2) Uani 0.683(9) 1 d D U P L 1
F45 F 0.3198(4) 0.3779(4) 0.4646(3) 0.161(3) Uani 1 1 d D U . . .
F46 F 0.3663(4) 0.9695(4) 0.1271(4) 0.099(2) Uani 0.683(9) 1 d D U P L 1
F48 F 0.2762(5) 1.0309(3) 0.1189(4) 0.100(2) Uani 0.683(9) 1 d D U P L 1
F49 F 0.3378(5) 0.8524(4) 0.3996(5) 0.098(2) Uani 0.578(7) 1 d D U P A 1
F51 F 0.3822(7) 1.0149(7) 0.5431(5) 0.125(3) Uani 0.561(8) 1 d D U P D 1
F73 F 0.0120(3) 0.4276(4) 0.2512(3) 0.1361(19) Uani 1 1 d D U . . .
F75 F -0.0796(4) 0.6451(3) 0.3450(4) 0.115(2) Uani 0.818(9) 1 d D U P F 1
F77 F -0.0916(6) 0.5565(4) 0.3770(5) 0.106(2) Uani 0.818(9) 1 d D U P F 1
F79 F 0.0529(5) 0.6922(4) 0.3583(5) 0.105(2) Uani 0.611(7) 1 d D U P B 1
F81 F 0.1558(7) 0.6003(6) 0.4817(5) 0.107(2) Uani 0.513(10) 1 d D U P K 1
F83 F 0.0714(7) 0.5737(7) 0.5341(6) 0.110(3) Uani 0.513(10) 1 d D U P K 1
F85 F 0.1407(7) 0.3114(6) 0.4734(5) 0.131(3) Uani 0.563(10) 1 d D U P G 1
F87 F 0.3360(5) 0.3986(6) 0.2204(5) 0.126(3) Uani 0.604(8) 1 d D U P C 1
F89 F 0.2971(6) 0.3940(6) 0.1507(6) 0.126(2) Uani 0.604(8) 1 d D U P C 1
F91 F 0.3306(4) 0.4634(3) 0.4217(3) 0.1338(19) Uani 1 1 d D U . . .
F97 F 0.3503(5) 0.9271(6) 0.3388(4) 0.095(2) Uani 0.578(7) 1 d D U P A 1
F99 F 0.0855(5) 0.9912(6) 0.5409(5) 0.111(3) Uani 0.544(8) 1 d D U P H 1
F101 F 0.1642(7) 0.9213(5) 0.5362(5) 0.109(2) Uani 0.544(8) 1 d D U P H 1
F103 F 0.4139(6) 1.0478(6) 0.4584(5) 0.122(3) Uani 0.561(8) 1 d D U P D 1
O1 O 0.1327(2) 0.94006(19) 0.21809(19) 0.0489(7) Uani 1 1 d . U . . .
O4 O -0.0620(2) 1.0592(2) 0.2839(2) 0.0559(11) Uani 1 1 d . U . . .
O6 O 0.3087(2) 0.7902(2) 0.2200(2) 0.0531(7) Uani 1 1 d . U . . .
O8 O 0.4456(3) 0.6283(2) 0.3110(3) 0.0756(13) Uani 1 1 d . U . . .
O10 O 0.0387(3) 0.5641(2) 0.3449(2) 0.0711(10) Uani 1 1 d . U . . .
O12 O 0.1401(3) 0.5446(3) 0.4040(3) 0.0755(10) Uani 1 1 d . U . . .
O14 O 0.2458(3) 0.4681(3) 0.3558(3) 0.0747(10) Uani 1 1 d . U . . .
O16 O 0.1284(3) 0.4332(3) 0.3641(3) 0.0789(11) Uani 1 1 d . U . . .
O18 O 0.2277(3) 0.4872(3) 0.2442(2) 0.0731(10) Uani 1 1 d . U . . .
O20 O 0.0930(3) 0.4929(3) 0.2606(3) 0.0734(10) Uani 1 1 d . U . . .
O22 O 0.2613(2) 0.8964(2) 0.3050(2) 0.0516(6) Uani 1 1 d . U . . .
O24 O 0.1304(2) 0.8843(2) 0.32822(19) 0.0504(7) Uani 1 1 d . U . . .
O26 O 0.1402(2) 0.7902(2) 0.2779(2) 0.0527(6) Uani 1 1 d . U . . .
O28 O 0.2469(2) 0.7822(2) 0.3313(2) 0.0532(7) Uani 1 1 d . U . . .
O30 O 0.2018(2) 0.8380(2) 0.16578(19) 0.0512(7) Uani 1 1 d . U . . .
O32 O 0.2662(2) 0.9212(2) 0.18371(19) 0.0519(7) Uani 1 1 d . U . . .
O34 O 0.1781(3) 1.1605(2) 0.4837(2) 0.0673(10) Uani 1 1 d . U . . .
O36 O 0.0862(3) 1.1718(2) 0.4164(2) 0.0635(10) Uani 1 1 d . U . . .
O38 O 0.1677(3) 1.0449(3) 0.4680(2) 0.0708(10) Uani 1 1 d . U . . .
O40 O 0.2925(3) 1.0701(3) 0.4387(2) 0.0736(11) Uani 1 1 d . U . . .
O42 O 0.1768(3) 1.1908(2) 0.3154(2) 0.0655(10) Uani 1 1 d . U . . .
O44 O 0.2683(3) 1.1899(3) 0.3795(2) 0.0696(10) Uani 1 1 d . U . . .
N1 N 0.0703(3) 0.9640(2) 0.2301(2) 0.0470(9) Uani 1 1 d . U . . .
N4 N -0.0219(3) 1.0189(2) 0.2622(2) 0.0478(10) Uani 1 1 d . U . . .
N6 N 0.1456(3) 1.0719(3) 0.3515(3) 0.0574(9) Uani 1 1 d . U . . .
N8 N 0.2710(3) 1.0782(3) 0.3230(3) 0.0602(10) Uani 1 1 d . U . . .
N10 N 0.3603(3) 0.7558(3) 0.2400(3) 0.0537(10) Uani 1 1 d . U . . .
N12 N 0.4251(3) 0.6796(3) 0.2836(3) 0.0607(11) Uani 1 1 d . U . . .
N14 N 0.1292(3) 0.6139(3) 0.2384(3) 0.0640(10) Uani 1 1 d . U . . .
N16 N 0.2187(3) 0.5997(3) 0.3033(3) 0.0619(10) Uani 1 1 d . U . . .
C1 C 0.3354(4) 1.0797(4) 0.3116(4) 0.0667(12) Uani 1 1 d . U . . .
H1 H 0.352350 1.094979 0.335740 0.080 Uiso 1 1 calc R U . . .
C4 C -0.0191(4) 1.2282(3) 0.4363(3) 0.0639(15) Uani 1 1 d D U . . .
C6 C 0.1432(4) 1.1971(3) 0.5648(3) 0.0714(15) Uani 1 1 d D U . . .
C8 C 0.3394(5) 1.2536(4) 0.3475(3) 0.0917(16) Uani 1 1 d D U . . .
C10 C 0.1810(4) 1.2483(4) 0.2259(4) 0.0891(15) Uani 1 1 d D U . . .
C12 C 0.0710(4) 0.8949(3) 0.4157(3) 0.0638(9) Uani 1 1 d D U . . .
C14 C 0.2496(4) 0.7245(3) 0.4214(3) 0.0711(10) Uani 1 1 d D U . . .
C16 C 0.1994(4) 0.8365(3) 0.0741(3) 0.0636(14) Uani 1 1 d D U . . .
C18 C 0.3119(4) 0.9798(4) 0.1041(3) 0.0758(13) Uani 1 1 d D U . . .
C20 C 0.0525(5) 0.4446(4) 0.2097(4) 0.0920(15) Uani 1 1 d D U . . .
C22 C -0.0695(5) 0.5993(4) 0.3864(4) 0.0932(14) Uani 1 1 d D U . . .
C24 C 0.0563(4) 0.7435(3) 0.3294(3) 0.0705(10) Uani 1 1 d D U . . .
C26 C 0.1164(4) 0.5644(4) 0.4933(4) 0.0916(14) Uani 1 1 d D U . . .
C28 C 0.2962(5) 0.4278(4) 0.1835(4) 0.1012(16) Uani 1 1 d D U . . .
C30 C 0.3189(5) 0.4142(4) 0.4170(4) 0.0916(14) Uani 1 1 d D U . . .
C32 C 0.3076(4) 0.9039(3) 0.3786(3) 0.0672(10) Uani 1 1 d D U . . .
C34 C 0.1490(5) 0.9752(4) 0.5485(4) 0.0921(14) Uani 1 1 d D U . . .
C36 C 0.3752(5) 1.0154(4) 0.4944(4) 0.0990(16) Uani 1 1 d D U . . .
C38 C 0.3635(4) 0.7010(3) 0.2687(3) 0.0551(11) Uani 1 1 d . U . . .
C40 C 0.3776(4) 1.0606(4) 0.2674(3) 0.0655(13) Uani 1 1 d . U . . .
H40 H 0.422133 1.063860 0.259867 0.079 Uiso 1 1 calc R U . . .
C42 C 0.4641(4) 0.7264(3) 0.2688(4) 0.0627(13) Uani 1 1 d . U . . .
C44 C 0.3523(4) 1.0367(4) 0.2349(3) 0.0651(14) Uani 1 1 d . U . . .
H44 H 0.379907 1.021987 0.204284 0.078 Uiso 1 1 calc R U . . .
C46 C 0.4513(4) 0.7597(4) 0.1662(4) 0.084(2) Uani 1 1 d . U . . .
H46A H 0.422197 0.786627 0.140789 0.126 Uiso 1 1 calc R U . . .
H46B H 0.451670 0.718990 0.165914 0.126 Uiso 1 1 calc R U . . .
H46C H 0.496038 0.765964 0.154461 0.126 Uiso 1 1 calc R U . . .
C48 C 0.2866(4) 1.0336(3) 0.2461(3) 0.0597(12) Uani 1 1 d . U . . .
H48 H 0.269249 1.017059 0.223276 0.072 Uiso 1 1 calc R U . . .
C50 C 0.2472(4) 1.0547(3) 0.2902(3) 0.0570(11) Uani 1 1 d . U . . .
C52 C 0.1771(4) 1.0524(3) 0.3051(3) 0.0539(10) Uani 1 1 d . U . . .
C54 C 0.1454(3) 1.0304(3) 0.2749(3) 0.0506(10) Uani 1 1 d . U . . .
H54 H 0.168462 1.017294 0.242154 0.061 Uiso 1 1 calc R U . . .
C56 C 0.0797(3) 1.0273(3) 0.2922(3) 0.0485(11) Uani 1 1 d . U . . .
C58 C 0.0482(3) 1.0466(3) 0.3405(3) 0.0521(11) Uani 1 1 d . U . . .
H58 H 0.003624 1.045132 0.353969 0.063 Uiso 1 1 calc R U . . .
C60 C 0.0823(4) 1.0679(3) 0.3681(3) 0.0556(11) Uani 1 1 d . U . . .
H60 H 0.060224 1.080705 0.401276 0.067 Uiso 1 1 calc R U . . .
C62 C 0.0444(3) 1.0038(3) 0.2617(3) 0.0464(11) Uani 1 1 d . U . . .
C64 C 0.1199(4) 0.3432(4) 0.4237(4) 0.0959(16) Uani 1 1 d D U . . .
C66 C -0.0442(3) 0.9765(3) 0.2386(3) 0.0479(12) Uani 1 1 d . U . . .
C68 C 0.0206(3) 0.9548(3) 0.2001(3) 0.0496(12) Uani 1 1 d . U . . .
C70 C 0.0331(4) 0.8914(3) 0.1958(3) 0.0614(16) Uani 1 1 d . U . . .
H70A H 0.075701 0.880325 0.172995 0.092 Uiso 1 1 calc R U . . .
H70B H -0.001820 0.886221 0.178657 0.092 Uiso 1 1 calc R U . . .
H70C H 0.033464 0.866446 0.232860 0.092 Uiso 1 1 calc R U . . .
C72 C 0.0280(4) 0.9955(4) 0.1432(3) 0.0649(17) Uani 1 1 d . U . . .
H72A H 0.016947 1.036446 0.147758 0.097 Uiso 1 1 calc R U . . .
H72B H -0.001684 0.990585 0.120515 0.097 Uiso 1 1 calc R U . . .
H72C H 0.073553 0.985571 0.124902 0.097 Uiso 1 1 calc R U . . .
C74 C -0.0603(4) 0.9286(3) 0.2885(3) 0.0577(15) Uani 1 1 d . U . . .
H74A H -0.020101 0.907290 0.304318 0.087 Uiso 1 1 calc R U . . .
H74B H -0.078498 0.901137 0.276546 0.087 Uiso 1 1 calc R U . . .
H74C H -0.092677 0.946903 0.316580 0.087 Uiso 1 1 calc R U . . .
C76 C -0.1035(3) 1.0073(3) 0.2101(3) 0.0589(17) Uani 1 1 d . U . . .
H76A H -0.140844 1.020659 0.237494 0.088 Uiso 1 1 calc R U . . .
H76B H -0.114664 0.980005 0.192247 0.088 Uiso 1 1 calc R U . . .
H76C H -0.093726 1.041218 0.182131 0.088 Uiso 1 1 calc R U . . .
C78 C 0.0787(4) 0.6236(4) 0.2093(4) 0.0731(13) Uani 1 1 d . U . . .
H78 H 0.052908 0.595064 0.217927 0.088 Uiso 1 1 calc R U . . .
C80 C 0.0628(4) 0.6706(4) 0.1695(4) 0.0754(15) Uani 1 1 d . U . . .
H80 H 0.026448 0.675386 0.151030 0.090 Uiso 1 1 calc R U . . .
C82 C 0.1003(4) 0.7123(4) 0.1555(4) 0.0713(14) Uani 1 1 d . U . . .
H82 H 0.090891 0.745880 0.126800 0.086 Uiso 1 1 calc R U . . .
C84 C 0.1527(4) 0.7037(4) 0.1848(3) 0.0651(12) Uani 1 1 d . U . . .
H84 H 0.178355 0.732145 0.177209 0.078 Uiso 1 1 calc R U . . .
C86 C 0.1663(4) 0.6538(3) 0.2243(3) 0.0605(11) Uani 1 1 d . U . . .
C88 C 0.2194(4) 0.6440(3) 0.2585(3) 0.0574(10) Uani 1 1 d . U . . .
C90 C 0.2655(4) 0.6778(3) 0.2463(3) 0.0565(10) Uani 1 1 d . U . . .
H90 H 0.265448 0.708015 0.213963 0.068 Uiso 1 1 calc R U . . .
C92 C 0.3121(4) 0.6676(3) 0.2815(3) 0.0558(11) Uani 1 1 d . U . . .
C94 C 0.3082(4) 0.6244(3) 0.3297(3) 0.0594(11) Uani 1 1 d . U . . .
H94 H 0.336991 0.617556 0.356052 0.071 Uiso 1 1 calc R U . . .
C96 C 0.2617(4) 0.5920(3) 0.3379(4) 0.0625(11) Uani 1 1 d . U . . .
H96 H 0.260029 0.562114 0.370328 0.075 Uiso 1 1 calc R U . . .
C98 C 0.3013(5) 1.0324(4) 0.4820(4) 0.0786(15) Uani 1 1 d . U . . .
C100 C 0.2577(5) 1.0050(4) 0.5173(4) 0.0816(16) Uani 1 1 d . U . . .
H100 H 0.271484 0.979384 0.550133 0.098 Uiso 1 1 calc R U . . .
C102 C 0.1936(5) 1.0121(4) 0.5086(4) 0.0736(14) Uani 1 1 d . U . . .
C104 C 0.0490(4) 1.1997(3) 0.4515(3) 0.0577(13) Uani 1 1 d . U . . .
C106 C 0.0656(4) 1.2079(3) 0.4983(3) 0.0600(14) Uani 1 1 d . U . . .
H106 H 0.032652 1.228342 0.522732 0.072 Uiso 1 1 calc R U . . .
C108 C 0.1292(4) 1.1872(4) 0.5111(3) 0.0629(13) Uani 1 1 d . U . . .
C110 C 0.2048(4) 1.2282(4) 0.2831(4) 0.0691(13) Uani 1 1 d . U . . .
C112 C 0.2552(4) 1.2501(4) 0.2929(4) 0.0734(15) Uani 1 1 d . U . . .
H112 H 0.271078 1.280029 0.265654 0.088 Uiso 1 1 calc R U . . .
C114 C 0.2814(4) 1.2295(4) 0.3401(4) 0.0687(14) Uani 1 1 d . U . . .
C116 C 0.0938(5) 0.5586(4) 0.4405(4) 0.0747(14) Uani 1 1 d . U . . .
C118 C 0.0280(5) 0.5718(4) 0.4381(4) 0.0787(16) Uani 1 1 d . U . . .
H118 H -0.002288 0.578521 0.470413 0.094 Uiso 1 1 calc R U . . .
C120 C 0.0043(5) 0.5755(4) 0.3901(4) 0.0756(15) Uani 1 1 d . U . . .
C122 C 0.1553(5) 0.3927(4) 0.3992(4) 0.0810(15) Uani 1 1 d . U . . .
C124 C 0.2117(5) 0.3881(4) 0.4192(4) 0.0891(17) Uani 1 1 d . U . . .
H124 H 0.222725 0.358023 0.450421 0.107 Uiso 1 1 calc R U . . .
C126 C 0.2535(5) 0.4255(4) 0.3959(4) 0.0793(15) Uani 1 1 d . U . . .
C128 C 0.2276(4) 0.4537(4) 0.2134(4) 0.0764(14) Uani 1 1 d . U . . .
C130 C 0.1745(5) 0.4363(4) 0.2044(4) 0.0818(16) Uani 1 1 d . U . . .
H130 H 0.182140 0.408255 0.181702 0.098 Uiso 1 1 calc R U . . .
C132 C 0.1104(4) 0.4585(4) 0.2274(4) 0.0756(14) Uani 1 1 d . U . . .
C134 C 0.2160(4) 0.7503(3) 0.3690(3) 0.0577(11) Uani 1 1 d . U . . .
C136 C 0.1576(4) 0.7366(3) 0.3683(3) 0.0622(11) Uani 1 1 d . U . . .
H136 H 0.140128 0.711492 0.399840 0.075 Uiso 1 1 calc R U . . .
C138 C 0.1231(4) 0.7575(3) 0.3236(3) 0.0572(11) Uani 1 1 d . U . . .
C140 C 0.2490(4) 0.9011(3) 0.3548(3) 0.0550(10) Uani 1 1 d . U . . .
C142 C 0.1900(4) 0.9020(3) 0.3892(3) 0.0576(11) Uani 1 1 d . U . . .
H142 H 0.187050 0.908435 0.425449 0.069 Uiso 1 1 calc R U . . .
C144 C 0.1348(4) 0.8941(3) 0.3741(3) 0.0539(11) Uani 1 1 d . U . . .
C146 C 0.2725(4) 0.9326(3) 0.1311(3) 0.0579(13) Uani 1 1 d . U . . .
C148 C 0.2518(4) 0.9076(3) 0.0970(3) 0.0613(14) Uani 1 1 d . U . . .
H148 H 0.260300 0.921535 0.058193 0.074 Uiso 1 1 calc R U . . .
C150 C 0.2184(4) 0.8622(3) 0.1164(3) 0.0566(12) Uani 1 1 d . U . . .
C152 C 0.4193(4) 0.8349(4) 0.2261(4) 0.0722(17) Uani 1 1 d . U . . .
H15A H 0.394110 0.859973 0.196974 0.108 Uiso 1 1 calc R U . . .
H15B H 0.462957 0.843367 0.219841 0.108 Uiso 1 1 calc R U . . .
H15C H 0.396103 0.842649 0.262253 0.108 Uiso 1 1 calc R U . . .
C154 C 0.4265(4) 0.7713(3) 0.2248(3) 0.0591(13) Uani 1 1 d . U . . .
C156 C 0.5349(4) 0.6994(4) 0.2482(4) 0.0806(19) Uani 1 1 d . U . . .
H15D H 0.554575 0.670237 0.278490 0.121 Uiso 1 1 calc R U . . .
H15E H 0.559693 0.730216 0.235083 0.121 Uiso 1 1 calc R U . . .
H15F H 0.536300 0.680121 0.217735 0.121 Uiso 1 1 calc R U . . .
C158 C 0.4569(4) 0.7483(4) 0.3210(4) 0.0779(19) Uani 1 1 d . U . . .
H15G H 0.410173 0.763359 0.333624 0.117 Uiso 1 1 calc R U . . .
H15H H 0.480232 0.779982 0.313893 0.117 Uiso 1 1 calc R U . . .
H15I H 0.475622 0.716036 0.349579 0.117 Uiso 1 1 calc R U . . .
Gd2 Gd 0.72835(2) 0.36003(2) 0.23501(2) 0.04732(9) Uani 1 1 d . U . . .
Gd3 Gd 0.61491(2) 0.06675(2) 0.19717(2) 0.04793(9) Uani 1 1 d . . . . .
Gd5 Gd 0.78459(2) 0.70345(2) 0.11218(2) 0.05638(10) Uani 1 1 d . U . . .
F2 F 0.7940(7) 0.0094(6) 0.0347(6) 0.138(4) Uani 0.603(9) 1 d D U P M 1
F7 F 0.6480(3) 0.2128(3) 0.0166(3) 0.1337(18) Uani 1 1 d D U . . .
F15 F 0.4594(3) -0.0274(3) 0.3553(3) 0.121(2) Uani 1 1 d D U . . .
F17 F 0.5675(5) -0.0485(5) 0.0416(4) 0.120(2) Uani 0.749(9) 1 d D U P N 1
F27 F 0.5592(3) 0.2140(4) -0.0097(3) 0.134(2) Uani 1 1 d D U . . .
F29 F 0.7660(3) -0.0115(3) 0.3346(3) 0.118(2) Uani 1 1 d D U . . .
F31 F 0.4832(3) -0.0760(3) 0.2922(3) 0.132(2) Uani 1 1 d D U . . .
F33 F 0.5004(6) 0.0292(4) 0.0636(5) 0.134(3) Uani 0.749(9) 1 d D U P N 1
F35 F 0.4004(5) 0.1985(5) 0.2239(3) 0.111(2) Uani 0.689(8) 1 d D U P O 1
F47 F 0.5454(4) 0.2791(5) 0.2278(3) 0.103(2) Uani 0.686(7) 1 d D U P P 1
F50 F 0.6428(4) 0.8881(3) 0.2202(4) 0.109(2) Uani 0.831(12) 1 d D U P Q 1
F52 F 0.6210(5) 0.8054(4) 0.2628(4) 0.121(3) Uani 0.831(12) 1 d D U P Q 1
F53 F 0.6777(7) 0.2583(6) 0.4684(4) 0.143(3) Uani 0.693(8) 1 d D U P R 1
F54 F 0.5989(4) 0.8412(5) 0.1841(4) 0.117(2) Uani 0.831(12) 1 d D U P Q 1
F55 F 0.6345(4) 0.1379(3) -0.0015(3) 0.145(2) Uani 1 1 d D U . . .
F56 F 0.8734(3) 0.8549(3) 0.2089(4) 0.145(2) Uani 1 1 d D U . . .
F57 F 0.7282(3) -0.0827(3) 0.3839(2) 0.127(2) Uani 1 1 d D U . . .
F58 F 0.9298(3) 0.8175(4) 0.1442(3) 0.147(2) Uani 1 1 d D U . . .
F59 F 0.7842(3) -0.0887(3) 0.3038(3) 0.120(2) Uani 1 1 d D U . . .
F60 F 0.9212(4) 0.7653(4) 0.2204(4) 0.167(3) Uani 1 1 d D U . . .
F61 F 0.5233(4) -0.1104(4) 0.3664(4) 0.181(4) Uani 1 1 d D U . . .
F62 F 0.8282(8) 0.8916(5) -0.0475(6) 0.120(3) Uani 0.531(10) 1 d D U P S 1
F63 F 0.8226(6) -0.0410(7) 0.1115(5) 0.118(3) Uani 0.603(9) 1 d D U P M 1
F64 F 0.8216(8) 0.8404(8) -0.1006(5) 0.127(3) Uani 0.531(10) 1 d D U P S 1
F65 F 0.7900(6) -0.0793(5) 0.0613(6) 0.128(3) Uani 0.603(9) 1 d D U P M 1
F66 F 0.8971(5) 0.8118(7) -0.0503(6) 0.125(3) Uani 0.531(10) 1 d D U P S 1
F67 F 0.5054(5) -0.0508(5) 0.1210(4) 0.116(2) Uani 0.749(9) 1 d D U P N 1
F68 F 0.5651(6) 0.8273(8) 0.0590(5) 0.109(3) Uani 0.58(2) 1 d D U P T 1
F69 F 0.3965(5) 0.2531(4) 0.1427(5) 0.122(2) Uani 0.689(8) 1 d D U P O 1
F70 F 0.5876(7) 0.7542(5) 0.0207(8) 0.107(3) Uani 0.58(2) 1 d D U P T 1
F71 F 0.3716(4) 0.1706(4) 0.1621(4) 0.113(2) Uani 0.689(8) 1 d D U P O 1
F72 F 0.5969(8) 0.8376(7) -0.0295(5) 0.118(3) Uani 0.58(2) 1 d D U P T 1
F74 F 1.0198(6) 0.5980(6) 0.0769(5) 0.128(3) Uani 0.662(9) 1 d D U P U 1
F76 F 1.0165(5) 0.6843(5) 0.0332(5) 0.131(3) Uani 0.662(9) 1 d D U P U 1
F78 F 1.0309(7) 0.6190(6) -0.0127(5) 0.141(3) Uani 0.662(9) 1 d D U P U 1
F80 F 0.8384(4) 0.3611(3) 0.4238(2) 0.1251(19) Uani 1 1 d D U . . .
F82 F 0.7989(3) 0.4449(2) 0.3761(3) 0.1087(17) Uani 1 1 d D U . . .
F84 F 0.8834(3) 0.3887(3) 0.3423(3) 0.1107(16) Uani 1 1 d D U . . .
F86 F 0.8882(5) 0.4825(5) 0.0630(3) 0.101(2) Uani 0.620(8) 1 d D U P V 1
F88 F 0.9244(5) 0.4233(5) 0.1302(5) 0.111(3) Uani 0.620(8) 1 d D U P V 1
F90 F 0.8798(6) 0.5096(5) 0.1376(5) 0.117(2) Uani 0.620(8) 1 d D U P V 1
F92 F 0.7845(6) 0.5740(5) -0.0239(4) 0.114(2) Uani 0.614(7) 1 d D U P W 1
F93 F 0.5408(4) 0.3301(4) 0.1485(5) 0.109(2) Uani 0.686(7) 1 d D U P P 1
F94 F 0.8426(6) 0.6229(6) -0.0881(4) 0.122(3) Uani 0.614(7) 1 d D U P W 1
F95 F 0.5828(4) 0.2368(4) 0.1625(5) 0.0964(19) Uani 0.686(7) 1 d D U P P 1
F96 F 0.7517(6) 0.6663(5) -0.0582(5) 0.119(2) Uani 0.614(7) 1 d D U P W 1
F98 F 0.5921(5) 0.4922(6) 0.0957(7) 0.098(3) Uani 0.588(13) 1 d D U P X 1
F100 F 0.6646(7) 0.4403(5) 0.0428(5) 0.105(2) Uani 0.588(13) 1 d D U P X 1
F102 F 0.6641(6) 0.5301(5) 0.0407(5) 0.101(2) Uani 0.588(13) 1 d D U P X 1
F104 F 0.7735(6) 0.2694(7) 0.0364(5) 0.102(2) Uani 0.604(18) 1 d D U P Y 1
F105 F 0.6155(4) 0.2594(5) 0.4085(4) 0.115(3) Uani 0.693(8) 1 d D U P R 1
F106 F 0.8551(6) 0.2675(6) 0.0737(8) 0.092(3) Uani 0.604(18) 1 d D U P Y 1
F107 F 0.7118(5) 0.2008(3) 0.4083(4) 0.116(3) Uani 0.693(8) 1 d D U P R 1
F108 F 0.7990(8) 0.3515(4) 0.0336(5) 0.108(3) Uani 0.604(18) 1 d D U P Y 1
O2 O 0.6910(3) 0.3060(2) 0.3249(2) 0.0630(8) Uani 1 1 d . U . . .
O3 O 0.8047(2) 0.2686(2) 0.2592(2) 0.0560(7) Uani 1 1 d . U . . .
O5 O 0.7100(3) 0.7576(2) 0.1751(2) 0.0656(8) Uani 1 1 d . U . . .
O7 O 0.5102(2) 0.1318(2) 0.1924(2) 0.0652(10) Uani 1 1 d . U . . .
O9 O 0.6531(2) 0.3141(2) 0.2155(2) 0.0617(9) Uani 1 1 d . U . . .
O11 O 0.6455(2) 0.4352(2) 0.2725(2) 0.0601(8) Uani 1 1 d . U . . .
O13 O 0.6850(2) 0.0057(2) 0.2607(2) 0.0646(9) Uani 1 1 d . U . . .
O15 O 0.7042(3) 0.0148(2) 0.1444(2) 0.0646(10) Uani 1 1 d . U . . .
O17 O 0.6768(2) 0.4277(2) 0.1609(2) 0.0615(8) Uani 1 1 d . U . . .
O19 O 0.8955(3) 0.6604(3) 0.0828(2) 0.0730(9) Uani 1 1 d . U . . .
O21 O 0.8142(3) 0.7763(3) 0.0368(2) 0.0761(9) Uani 1 1 d . U . . .
O23 O 0.4824(3) 0.5855(3) 0.1959(3) 0.0751(13) Uani 1 1 d . U . . .
O25 O 0.9414(2) 0.1390(2) 0.1541(2) 0.0598(12) Uani 1 1 d . U . . .
O27 O 0.5533(2) 0.0067(2) 0.2643(2) 0.0651(10) Uani 1 1 d . U . . .
O29 O 0.6196(3) 0.1287(2) 0.1091(2) 0.0650(10) Uani 1 1 d . U . . .
O31 O 0.5714(3) 0.0193(3) 0.1465(2) 0.0694(10) Uani 1 1 d . U . . .
O33 O 0.7749(3) 0.3851(2) 0.3016(2) 0.0601(7) Uani 1 1 d . U . . .
O35 O 0.8021(2) 0.4186(2) 0.1852(2) 0.0601(7) Uani 1 1 d . U . . .
O37 O 0.7761(2) 0.3221(2) 0.1518(2) 0.0586(7) Uani 1 1 d . U . . .
O39 O 0.7867(3) 0.6559(3) 0.0406(2) 0.0754(8) Uani 1 1 d . U . . .
O41 O 0.8441(3) 0.7501(3) 0.1512(2) 0.0685(8) Uani 1 1 d . U . . .
O43 O 0.6896(3) 0.7542(3) 0.0714(2) 0.0723(8) Uani 1 1 d . U . . .
N2 N 0.8567(3) 0.2391(3) 0.2327(2) 0.0543(10) Uani 1 1 d . U . . .
N3 N 0.5123(3) 0.5357(3) 0.2209(3) 0.0626(11) Uani 1 1 d . U . . .
N5 N 0.7001(3) 0.1247(3) 0.1962(3) 0.0583(9) Uani 1 1 d . U . . .
N7 N 0.7120(3) 0.6296(3) 0.1517(3) 0.0642(10) Uani 1 1 d . U . . .
N9 N 0.9212(3) 0.1787(3) 0.1828(2) 0.0526(11) Uani 1 1 d . U . . .
N11 N 0.5963(3) 0.1201(3) 0.2763(3) 0.0617(10) Uani 1 1 d . U . . .
N13 N 0.5883(3) 0.4672(3) 0.2595(3) 0.0606(10) Uani 1 1 d . U . . .
N15 N 0.8197(3) 0.6236(3) 0.1941(3) 0.0634(10) Uani 1 1 d . U . . .
C2 C 0.7876(4) 0.5805(4) 0.2172(3) 0.0605(11) Uani 1 1 d . U . . .
C3 C 0.9037(4) 0.5740(4) 0.2500(4) 0.0708(15) Uani 1 1 d . U . . .
H3 H 0.944464 0.572596 0.260582 0.085 Uiso 1 1 calc R U . . .
C5 C 0.8350(5) 0.8365(4) -0.0507(4) 0.1005(15) Uani 1 1 d D U . . .
C7 C 0.6254(4) 0.5554(3) 0.1993(3) 0.0599(11) Uani 1 1 d . U . . .
C9 C 0.8290(4) 0.7905(4) 0.1768(4) 0.0683(14) Uani 1 1 d . U . . .
C11 C 0.6041(4) 0.1828(4) 0.0205(4) 0.0872(13) Uani 1 1 d D U . . .
C13 C 0.7251(4) 0.5857(3) 0.1965(3) 0.0600(11) Uani 1 1 d . U . . .
C15 C 0.9250(5) 0.6433(4) 0.0387(4) 0.0810(15) Uani 1 1 d . U . . .
C17 C 0.6446(5) 0.1508(4) 0.3375(4) 0.0802(13) Uani 1 1 d . U . . .
H17 H 0.681637 0.160196 0.345796 0.096 Uiso 1 1 calc R U . . .
C19 C 0.7001(4) 0.4567(4) 0.1164(4) 0.0660(12) Uani 1 1 d . U . . .
C21 C 0.8745(4) 0.4670(3) 0.1178(3) 0.0760(11) Uani 1 1 d D U . . .
C23 C 0.5404(5) -0.0196(4) 0.0815(4) 0.0901(15) Uani 1 1 d D U . . .
C25 C 0.8020(4) 0.1521(3) 0.1553(3) 0.0557(11) Uani 1 1 d . U . . .
H25 H 0.836834 0.152908 0.125092 0.067 Uiso 1 1 calc R U . . .
C27 C 0.7225(5) 0.8168(4) -0.0114(4) 0.0849(16) Uani 1 1 d . U . . .
H27 H 0.708286 0.842753 -0.043908 0.102 Uiso 1 1 calc R U . . .
C29 C 0.7506(4) 0.1718(3) 0.2439(3) 0.0589(11) Uani 1 1 d . U . . .
H29 H 0.749147 0.187324 0.275541 0.071 Uiso 1 1 calc R U . . .
C31 C 0.6459(4) 0.3007(4) 0.1722(3) 0.0633(11) Uani 1 1 d . U . . .
C33 C 0.5247(4) 0.4505(3) 0.2893(4) 0.0631(13) Uani 1 1 d . U . . .
C35 C 0.9665(4) 0.2140(3) 0.1898(3) 0.0559(13) Uani 1 1 d . U . . .
C37 C 0.6216(4) -0.0512(4) 0.3292(4) 0.0724(15) Uani 1 1 d . U . . .
H37 H 0.622525 -0.079284 0.363006 0.087 Uiso 1 1 calc R U . . .
C39 C 0.7816(4) 0.3637(4) 0.3517(4) 0.0674(13) Uani 1 1 d . U . . .
C41 C 0.9992(6) 0.6349(4) 0.0324(4) 0.1027(16) Uani 1 1 d D U . . .
C43 C 0.6527(4) 0.4798(3) 0.0729(3) 0.0771(11) Uani 1 1 d D U . . .
C45 C 0.5070(4) -0.0626(4) 0.3300(4) 0.0815(19) Uani 1 1 d D U . . .
C47 C 0.6772(5) 0.2523(4) 0.4167(4) 0.0993(15) Uani 1 1 d D U . . .
C49 C 0.7616(4) 0.4697(4) 0.1021(4) 0.0693(12) Uani 1 1 d . U . . .
H49 H 0.772029 0.492886 0.066605 0.083 Uiso 1 1 calc R U . . .
C51 C 0.4123(5) 0.1995(4) 0.1704(3) 0.0878(14) Uani 1 1 d D U . . .
C53 C 0.6431(4) 0.1423(4) 0.2851(3) 0.0671(11) Uani 1 1 d . U . . .
C55 C 0.7517(4) 0.3071(3) 0.1177(3) 0.0623(11) Uani 1 1 d . U . . .
C57 C 0.4834(4) 0.4549(4) 0.1983(4) 0.0759(18) Uani 1 1 d . U . . .
H57A H 0.529567 0.437599 0.185881 0.114 Uiso 1 1 calc R U . . .
H57B H 0.464355 0.483572 0.167492 0.114 Uiso 1 1 calc R U . . .
H57C H 0.458913 0.423838 0.211186 0.114 Uiso 1 1 calc R U . . .
C59 C 0.9750(4) 0.2587(4) 0.1363(4) 0.0703(18) Uani 1 1 d . U . . .
H59A H 1.008991 0.278676 0.137382 0.105 Uiso 1 1 calc R U . . .
H59B H 0.933260 0.287641 0.131920 0.105 Uiso 1 1 calc R U . . .
H59C H 0.988151 0.238517 0.104925 0.105 Uiso 1 1 calc R U . . .
C61 C 0.6605(4) -0.0216(4) 0.0850(4) 0.0763(15) Uani 1 1 d . U . . .
H61 H 0.671466 -0.040963 0.054522 0.092 Uiso 1 1 calc R U . . .
C63 C 0.8767(4) 0.6197(4) 0.2116(4) 0.0691(13) Uani 1 1 d . U . . .
H63 H 0.899166 0.650401 0.196330 0.083 Uiso 1 1 calc R U . . .
C65 C 0.6144(4) 0.5979(4) 0.1517(3) 0.0651(12) Uani 1 1 d . U . . .
H65 H 0.577138 0.602390 0.134411 0.078 Uiso 1 1 calc R U . . .
C67 C 0.4081(4) 0.5087(4) 0.2685(4) 0.0725(17) Uani 1 1 d . U . . .
H67A H 0.387967 0.475471 0.286852 0.109 Uiso 1 1 calc R U . . .
H67B H 0.384291 0.532476 0.238056 0.109 Uiso 1 1 calc R U . . .
H67C H 0.405969 0.532877 0.295212 0.109 Uiso 1 1 calc R U . . .
C69 C 0.8024(3) 0.1744(3) 0.2013(3) 0.0540(11) Uani 1 1 d . U . . .
C71 C 1.0323(4) 0.1727(4) 0.2015(4) 0.0666(18) Uani 1 1 d . U . . .
H71A H 1.051282 0.152021 0.170795 0.100 Uiso 1 1 calc R U . . .
H71B H 1.025533 0.143956 0.235868 0.100 Uiso 1 1 calc R U . . .
H71C H 1.062402 0.195450 0.205279 0.100 Uiso 1 1 calc R U . . .
C73 C 0.7875(5) 0.8072(4) -0.0040(4) 0.0802(14) Uani 1 1 d . U . . .
C75 C 0.5952(4) -0.0058(4) 0.1074(4) 0.0701(14) Uani 1 1 d . U . . .
C77 C 0.6893(4) 0.2966(4) 0.1248(3) 0.0644(12) Uani 1 1 d . U . . .
H77 H 0.676353 0.286079 0.095340 0.077 Uiso 1 1 calc R U . . .
C79 C 0.6436(5) 0.8355(4) 0.2153(4) 0.0843(13) Uani 1 1 d D U . . .
C81 C 0.6050(6) 0.8041(6) 0.0193(5) 0.0860(18) Uani 0.58(2) 1 d D U P T 1
C83 C 0.8272(4) 0.3895(3) 0.3739(3) 0.0781(13) Uani 1 1 d D U . . .
C85 C 0.8000(5) 0.6237(4) -0.0425(4) 0.0951(14) Uani 1 1 d D U . . .
C87 C 0.7970(4) 0.3006(3) 0.0631(3) 0.0725(10) Uani 1 1 d D U . . .
C89 C 0.7383(4) -0.0543(4) 0.3325(3) 0.0752(16) Uani 1 1 d D U . . .
C91 C 0.7798(5) -0.0290(4) 0.0778(3) 0.0856(15) Uani 1 1 d D U . . .
C93 C 0.6772(4) -0.0302(4) 0.3051(4) 0.0660(13) Uani 1 1 d . U . . .
C95 C 0.5440(4) 0.1163(4) 0.3156(4) 0.0694(13) Uani 1 1 d . U . . .
H95 H 0.510591 0.100769 0.308572 0.083 Uiso 1 1 calc R U . . .
C97 C 0.8879(4) 0.8074(4) 0.1886(4) 0.0782(16) Uani 1 1 d D U . . .
C99 C 0.6580(4) 0.6334(4) 0.1300(4) 0.0669(11) Uani 1 1 d . U . . .
H99 H 0.649377 0.662588 0.097706 0.080 Uiso 1 1 calc R U . . .
C101 C 0.8304(5) 0.6389(4) 0.0029(4) 0.0802(14) Uani 1 1 d . U . . .
C103 C 0.5794(4) 0.2860(3) 0.1761(3) 0.0728(10) Uani 1 1 d D U . . .
C105 C 0.5096(4) 0.4723(4) 0.3420(4) 0.0766(19) Uani 1 1 d . U . . .
H10A H 0.500935 0.515308 0.333763 0.115 Uiso 1 1 calc R U . . .
H10B H 0.547198 0.456110 0.362400 0.115 Uiso 1 1 calc R U . . .
H10C H 0.470704 0.459742 0.364499 0.115 Uiso 1 1 calc R U . . .
C107 C 0.9361(4) 0.2030(4) 0.2963(3) 0.0671(17) Uani 1 1 d . U . . .
H10D H 0.931100 0.163424 0.297649 0.101 Uiso 1 1 calc R U . . .
H10E H 0.903736 0.220319 0.324988 0.101 Uiso 1 1 calc R U . . .
H10F H 0.980563 0.200809 0.302872 0.101 Uiso 1 1 calc R U . . .
C109 C 0.5762(4) 0.1623(4) 0.0814(3) 0.0659(13) Uani 1 1 d . U . . .
C111 C 0.8126(4) 0.5331(4) 0.2560(3) 0.0667(12) Uani 1 1 d . U . . .
H111 H 0.789802 0.502525 0.271103 0.080 Uiso 1 1 calc R U . . .
C113 C 0.4793(4) 0.4857(3) 0.2457(4) 0.0643(13) Uani 1 1 d . U . . .
C115 C 0.5897(5) 0.1451(5) 0.3774(4) 0.0878(16) Uani 1 1 d . U . . .
H115 H 0.589247 0.149690 0.413913 0.105 Uiso 1 1 calc R U . . .
C117 C 0.8582(3) 0.1980(3) 0.2050(3) 0.0528(11) Uani 1 1 d . U . . .
C119 C 0.7663(4) 0.8196(4) 0.1960(4) 0.0720(15) Uani 1 1 d . U . . .
H119 H 0.760823 0.853161 0.211422 0.086 Uiso 1 1 calc R U . . .
C121 C 0.5651(4) -0.0324(4) 0.3053(4) 0.0680(14) Uani 1 1 d . U . . .
C123 C 0.4840(4) 0.1674(4) 0.1538(4) 0.0657(14) Uani 1 1 d . U . . .
C125 C 0.7519(5) 0.3220(4) 0.3864(4) 0.0761(16) Uani 1 1 d . U . . .
H125 H 0.761907 0.309183 0.423202 0.091 Uiso 1 1 calc R U . . .
C127 C 0.8711(4) 0.5304(4) 0.2729(4) 0.0697(14) Uani 1 1 d . U . . .
H127 H 0.888654 0.498340 0.300333 0.084 Uiso 1 1 calc R U . . .
C129 C 0.6832(4) 0.5489(3) 0.2209(3) 0.0607(11) Uani 1 1 d . U . . .
H129 H 0.693481 0.519096 0.252352 0.073 Uiso 1 1 calc R U . . .
C131 C 0.5778(4) 0.5193(3) 0.2257(3) 0.0609(11) Uani 1 1 d . U . . .
C133 C 0.5329(4) 0.3838(4) 0.3007(4) 0.0743(18) Uani 1 1 d . U . . .
H13A H 0.563410 0.365010 0.327712 0.111 Uiso 1 1 calc R U . . .
H13B H 0.550583 0.369486 0.266158 0.111 Uiso 1 1 calc R U . . .
H13C H 0.490125 0.374124 0.315515 0.111 Uiso 1 1 calc R U . . .
C135 C 0.5356(5) 0.1327(4) 0.3638(4) 0.0797(15) Uani 1 1 d . U . . .
H135 H 0.494735 0.135747 0.387748 0.096 Uiso 1 1 calc R U . . .
C137 C 0.7006(4) 0.1465(3) 0.2403(3) 0.0591(11) Uani 1 1 d . U . . .
C139 C 0.7504(4) 0.1291(3) 0.1547(3) 0.0581(11) Uani 1 1 d . U . . .
H139 H 0.749921 0.115112 0.122656 0.070 Uiso 1 1 calc R U . . .
C141 C 0.9280(4) 0.3046(3) 0.2370(4) 0.0689(17) Uani 1 1 d . U . . .
H14A H 0.973677 0.306255 0.236046 0.103 Uiso 1 1 calc R U . . .
H14B H 0.900785 0.318439 0.269599 0.103 Uiso 1 1 calc R U . . .
H14C H 0.911566 0.329661 0.203411 0.103 Uiso 1 1 calc R U . . .
C143 C 0.7114(4) 0.8009(4) 0.1932(4) 0.0689(14) Uani 1 1 d . U . . .
C145 C 0.8969(5) 0.6332(4) -0.0012(4) 0.0848(16) Uani 1 1 d . U . . .
H145 H 0.924668 0.621695 -0.033159 0.102 Uiso 1 1 calc R U . . .
C147 C 0.6780(5) 0.7902(4) 0.0264(4) 0.0766(14) Uani 1 1 d D U . . .
C149 C 0.7100(4) -0.0105(4) 0.1051(3) 0.0682(14) Uani 1 1 d . U . . .
C151 C 0.5108(4) 0.1822(4) 0.0993(4) 0.0688(14) Uani 1 1 d . U . . .
H151 H 0.483270 0.206816 0.073404 0.083 Uiso 1 1 calc R U . . .
C153 C 0.8084(4) 0.4502(4) 0.1373(3) 0.0646(11) Uani 1 1 d . U . . .
C155 C 0.7075(4) 0.2967(4) 0.3712(4) 0.0736(14) Uani 1 1 d D U . . .
C157 C 0.9250(4) 0.2411(3) 0.2399(3) 0.0566(12) Uani 1 1 d . U . . .
F49A F 0.3660(5) 0.8805(8) 0.3554(7) 0.096(3) Uani 0.422(7) 1 d D U P A 2
F97A F 0.3097(8) 0.9574(5) 0.3793(7) 0.091(2) Uani 0.422(7) 1 d D U P A 2
F3A F 0.3088(7) 0.8757(8) 0.4320(5) 0.100(3) Uani 0.422(7) 1 d D U P A 2
F5A F 0.0099(7) 0.7860(7) 0.3131(8) 0.101(3) Uani 0.389(7) 1 d D U P B 2
F79A F 0.0631(8) 0.6949(7) 0.3129(8) 0.098(3) Uani 0.389(7) 1 d D U P B 2
F39A F 0.0327(7) 0.7253(8) 0.3835(5) 0.095(2) Uani 0.389(7) 1 d D U P B 2
F11A F 0.2916(9) 0.4449(10) 0.1289(6) 0.125(3) Uani 0.396(8) 1 d D U P C 2
F89A F 0.3076(9) 0.3708(6) 0.1894(9) 0.119(3) Uani 0.396(8) 1 d D U P C 2
F87A F 0.3427(8) 0.4497(9) 0.1832(9) 0.117(3) Uani 0.396(8) 1 d D U P C 2
F13A F 0.4173(7) 1.0045(10) 0.4533(6) 0.122(3) Uani 0.439(8) 1 d D U P D 2
F109 F 0.3814(8) 1.0642(7) 0.5068(8) 0.117(3) Uani 0.439(8) 1 d D U P D 2
F51A F 0.3743(9) 0.9782(8) 0.5450(6) 0.122(3) Uani 0.439(8) 1 d D U P D 2
F14A F 0.3479(13) 1.2481(14) 0.3990(7) 0.110(3) Uani 0.323(13) 1 d D U P E 2
F18A F 0.3931(9) 1.2405(14) 0.3158(11) 0.117(4) Uani 0.323(13) 1 d D U P E 2
F16A F 0.3191(13) 1.3131(7) 0.3282(11) 0.113(4) Uani 0.323(13) 1 d D U P E 2
F30A F 0.0421(14) 0.8525(12) 0.4143(13) 0.089(2) Uani 0.218(10) 1 d D U P I 2
F28A F 0.0800(14) 0.8867(16) 0.4678(7) 0.094(2) Uani 0.218(10) 1 d D U P I 2
F26A F 0.0223(15) 0.9376(13) 0.3981(16) 0.095(4) Uani 0.218(10) 1 d D U P I 2
F32A F 0.2894(15) 0.7543(14) 0.4285(13) 0.093(3) Uani 0.197(9) 1 d D U P J 2
F34A F 0.2669(19) 0.6670(7) 0.4327(15) 0.097(3) Uani 0.197(9) 1 d D U P J 2
F36A F 0.2036(13) 0.7352(16) 0.4641(10) 0.095(3) Uani 0.197(9) 1 d D U P J 2
F41A F 0.1762(6) 0.5466(8) 0.4962(6) 0.108(3) Uani 0.487(10) 1 d D U P K 2
F81A F 0.1064(8) 0.6235(5) 0.4901(5) 0.102(2) Uani 0.487(10) 1 d D U P K 2
F83A F 0.0765(8) 0.5448(7) 0.5371(6) 0.114(3) Uani 0.487(10) 1 d D U P K 2
F46A F 0.3737(7) 0.9494(8) 0.0862(9) 0.101(3) Uani 0.317(9) 1 d D U P L 2
F44A F 0.2910(11) 1.0113(9) 0.0554(7) 0.094(3) Uani 0.317(9) 1 d D U P L 2
F48A F 0.3205(12) 1.0160(9) 0.1295(7) 0.097(3) Uani 0.317(9) 1 d D U P L 2
F75A F -0.0943(16) 0.6518(10) 0.3978(17) 0.104(3) Uani 0.182(9) 1 d D U P F 2
F19A F -0.0936(19) 0.5782(18) 0.4412(9) 0.105(4) Uani 0.182(9) 1 d D U P F 2
F77A F -0.103(3) 0.570(2) 0.368(3) 0.108(3) Uani 0.182(9) 1 d D U P F 2
F85A F 0.0754(8) 0.3517(8) 0.4644(7) 0.113(4) Uani 0.437(10) 1 d D U P G 2
F21A F 0.0939(10) 0.3333(8) 0.3829(7) 0.125(3) Uani 0.437(10) 1 d D U P G 2
F43A F 0.1568(9) 0.2909(6) 0.4206(9) 0.118(3) Uani 0.437(10) 1 d D U P G 2
F99A F 0.1081(7) 1.0102(7) 0.5801(6) 0.118(3) Uani 0.456(8) 1 d D U P H 2
F25A F 0.1874(8) 0.9397(7) 0.5888(6) 0.115(3) Uani 0.456(8) 1 d D U P H 2
F110 F 0.1259(8) 0.9426(8) 0.5290(6) 0.116(2) Uani 0.456(8) 1 d D U P H 2
F33A F 0.4813(9) 0.0125(14) 0.0970(14) 0.116(4) Uani 0.251(9) 1 d D U P N 2
F67A F 0.5341(17) -0.0730(9) 0.1014(14) 0.120(4) Uani 0.251(9) 1 d D U P N 2
F17A F 0.5462(15) 0.0111(14) 0.0311(8) 0.121(4) Uani 0.251(9) 1 d D U P N 2
F69A F 0.3785(10) 0.2256(11) 0.1294(8) 0.112(3) Uani 0.311(8) 1 d D U P O 2
F71A F 0.3811(11) 0.1773(11) 0.2159(8) 0.114(4) Uani 0.311(8) 1 d D U P O 2
F35A F 0.4158(10) 0.2495(8) 0.1843(10) 0.108(2) Uani 0.311(8) 1 d D U P O 2
F94A F 0.8046(11) 0.6618(9) -0.0847(7) 0.125(3) Uani 0.386(7) 1 d D U P W 2
F92A F 0.8429(9) 0.5785(8) -0.0584(8) 0.118(3) Uani 0.386(7) 1 d D U P W 2
F96A F 0.7436(7) 0.6116(9) -0.0260(7) 0.106(2) Uani 0.386(7) 1 d D U P W 2
F88A F 0.9059(8) 0.4588(9) 0.1609(6) 0.096(3) Uani 0.380(8) 1 d D U P V 2
F86A F 0.9154(9) 0.4259(8) 0.0962(8) 0.110(3) Uani 0.380(8) 1 d D U P V 2
F90A F 0.8629(9) 0.5254(5) 0.1045(8) 0.102(3) Uani 0.380(8) 1 d D U P V 2
F76A F 1.0237(13) 0.6529(12) -0.0200(7) 0.130(4) Uani 0.338(9) 1 d D U P U 2
F78A F 1.0215(10) 0.5775(7) 0.0332(10) 0.121(3) Uani 0.338(9) 1 d D U P U 2
F74A F 1.0297(11) 0.6339(13) 0.0713(9) 0.126(3) Uani 0.338(9) 1 d D U P U 2
F47A F 0.5282(8) 0.3257(9) 0.1856(11) 0.101(3) Uani 0.314(7) 1 d D U P P 2
F93A F 0.5779(10) 0.2735(11) 0.1258(7) 0.102(2) Uani 0.314(7) 1 d D U P P 2
F95A F 0.5772(10) 0.2345(7) 0.2043(10) 0.110(4) Uani 0.314(7) 1 d D U P P 2
F63A F 0.8109(9) 0.0146(8) 0.0720(9) 0.117(3) Uani 0.397(9) 1 d D U P M 2
F65A F 0.8152(10) -0.0730(9) 0.1034(9) 0.131(4) Uani 0.397(9) 1 d D U P M 2
F2A F 0.7883(10) -0.0271(11) 0.0243(6) 0.125(3) Uani 0.397(9) 1 d D U P M 2
F64A F 0.8046(9) 0.8713(8) -0.0919(7) 0.133(3) Uani 0.469(10) 1 d D U P S 2
F66A F 0.8709(9) 0.7924(6) -0.0744(7) 0.125(3) Uani 0.469(10) 1 d D U P S 2
F62A F 0.8702(9) 0.8611(9) -0.0311(7) 0.126(3) Uani 0.469(10) 1 d D U P S 2
F68A F 0.5667(8) 0.7977(11) 0.0563(7) 0.106(3) Uani 0.42(2) 1 d D U P T 2
C81A C 0.6103(8) 0.7986(8) 0.0112(7) 0.0845(19) Uani 0.42(2) 1 d D U P T 2
F70A F 0.6091(10) 0.7550(7) -0.0108(10) 0.105(3) Uani 0.42(2) 1 d D U P T 2
F72A F 0.5879(12) 0.8513(8) -0.0177(9) 0.115(4) Uani 0.42(2) 1 d D U P T 2
F111 F 0.6467(14) 0.2152(10) 0.4186(10) 0.122(4) Uani 0.307(8) 1 d D U P R 2
F53A F 0.7214(11) 0.2172(11) 0.4522(10) 0.128(4) Uani 0.307(8) 1 d D U P R 2
F1A F 0.6384(14) 0.2844(10) 0.4551(9) 0.130(4) Uani 0.307(8) 1 d D U P R 2
F54A F 0.622(2) 0.862(2) 0.1677(12) 0.112(4) Uani 0.169(12) 1 d D U P Q 2
F52A F 0.5949(16) 0.8113(19) 0.239(2) 0.101(4) Uani 0.169(12) 1 d D U P Q 2
F50A F 0.6500(19) 0.856(2) 0.2580(16) 0.108(4) Uani 0.169(12) 1 d D U P Q 2
F98A F 0.5973(8) 0.5122(8) 0.0925(11) 0.096(3) Uani 0.412(13) 1 d D U P X 2
F112 F 0.6283(9) 0.4349(6) 0.0669(7) 0.094(2) Uani 0.412(13) 1 d D U P X 2
F1B F 0.6773(9) 0.4997(10) 0.0226(5) 0.110(3) Uani 0.412(13) 1 d D U P X 2
F113 F 0.8323(10) 0.3443(8) 0.0441(7) 0.095(3) Uani 0.396(18) 1 d D U P Y 2
F1C F 0.8470(10) 0.2555(9) 0.0662(13) 0.098(4) Uani 0.396(18) 1 d D U P Y 2
F1D F 0.7712(9) 0.3025(12) 0.0198(7) 0.104(3) Uani 0.396(18) 1 d D U P Y 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 O1 2.369(4) . ?
Gd1 O6 2.384(4) . ?
Gd1 O22 2.360(5) . ?
Gd1 O24 2.390(4) . ?
Gd1 O26 2.362(4) . ?
Gd1 O28 2.405(5) . ?
Gd1 O30 2.391(5) . ?
Gd1 O32 2.395(4) . ?
Gd4 O34 2.368(5) . ?
Gd4 O36 2.337(5) . ?
Gd4 O38 2.370(6) . ?
Gd4 O40 2.348(6) . ?
Gd4 O42 2.380(5) . ?
Gd4 O44 2.357(6) . ?
Gd4 N6 2.540(6) . ?
Gd4 N8 2.538(6) . ?
Gd6 O10 2.352(6) . ?
Gd6 O12 2.362(6) . ?
Gd6 O14 2.394(6) . ?
Gd6 O16 2.343(6) . ?
Gd6 O18 2.350(6) . ?
Gd6 O20 2.362(6) . ?
Gd6 N14 2.537(7) . ?
Gd6 N16 2.561(6) . ?
F1 C4 1.322(7) . ?
F3 C32 1.293(9) . ?
F4 C4 1.337(8) . ?
F5 C24 1.315(9) . ?
F6 C4 1.312(7) . ?
F8 C6 1.309(8) . ?
F9 C20 1.301(9) . ?
F10 C6 1.326(8) . ?
F11 C28 1.321(10) . ?
F12 C6 1.295(8) . ?
F13 C36 1.332(10) . ?
F14 C8 1.343(9) . ?
F16 C8 1.324(10) . ?
F18 C8 1.286(9) . ?
F19 C22 1.346(9) . ?
F20 C10 1.295(8) . ?
F21 C64 1.286(10) . ?
F22 C10 1.304(9) . ?
F23 C30 1.299(9) . ?
F24 C10 1.294(9) . ?
F25 C34 1.290(10) . ?
F26 C12 1.316(8) . ?
F28 C12 1.298(8) . ?
F30 C12 1.308(8) . ?
F32 C14 1.317(8) . ?
F34 C14 1.307(8) . ?
F36 C14 1.322(8) . ?
F37 C20 1.306(8) . ?
F38 C16 1.320(8) . ?
F39 C24 1.303(9) . ?
F40 C16 1.322(8) . ?
F41 C26 1.365(10) . ?
F42 C16 1.319(7) . ?
F43 C64 1.276(10) . ?
F44 C18 1.300(9) . ?
F45 C30 1.300(9) . ?
F46 C18 1.338(9) . ?
F48 C18 1.357(9) . ?
F49 C32 1.274(9) . ?
F51 C36 1.262(10) . ?
F73 C20 1.274(9) . ?
F75 C22 1.325(9) . ?
F77 C22 1.329(9) . ?
F79 C24 1.286(9) . ?
F81 C26 1.306(10) . ?
F83 C26 1.275(10) . ?
F85 C64 1.388(10) . ?
F87 C28 1.327(10) . ?
F89 C28 1.287(10) . ?
F91 C30 1.310(9) . ?
F97 C32 1.333(9) . ?
F99 C34 1.345(10) . ?
F101 C34 1.347(10) . ?
F103 C36 1.345(10) . ?
O1 N1 1.306(7) . ?
O4 N4 1.264(7) . ?
O6 N10 1.298(7) . ?
O8 N12 1.270(8) . ?
O10 C120 1.270(10) . ?
O12 C116 1.240(10) . ?
O14 C126 1.253(10) . ?
O16 C122 1.244(11) . ?
O18 C128 1.248(10) . ?
O20 C132 1.253(10) . ?
O22 C140 1.256(8) . ?
O24 C144 1.259(8) . ?
O26 C138 1.272(8) . ?
O28 C134 1.260(8) . ?
O30 C150 1.260(8) . ?
O32 C146 1.271(9) . ?
O34 C108 1.243(9) . ?
O36 C104 1.257(9) . ?
O38 C102 1.254(10) . ?
O40 C98 1.250(10) . ?
O42 C110 1.252(10) . ?
O44 C114 1.242(10) . ?
N1 C62 1.331(8) . ?
N1 C68 1.507(8) . ?
N4 C62 1.360(8) . ?
N4 C66 1.514(8) . ?
N6 C52 1.348(9) . ?
N6 C60 1.351(9) . ?
N8 C1 1.352(10) . ?
N8 C50 1.345(9) . ?
N10 C38 1.333(9) . ?
N10 C154 1.508(9) . ?
N12 C38 1.369(9) . ?
N12 C42 1.509(9) . ?
N14 C78 1.361(10) . ?
N14 C86 1.344(9) . ?
N16 C88 1.353(10) . ?
N16 C96 1.338(10) . ?
C1 H1 0.9500 . ?
C1 C40 1.372(11) . ?
C4 C104 1.514(11) . ?
C6 C108 1.525(11) . ?
C8 C114 1.558(13) . ?
C8 F14A 1.317(14) . ?
C8 F18A 1.269(14) . ?
C8 F16A 1.376(14) . ?
C10 C110 1.547(13) . ?
C12 C144 1.539(10) . ?
C12 F30A 1.337(14) . ?
C12 F28A 1.324(14) . ?
C12 F26A 1.313(15) . ?
C14 C134 1.543(11) . ?
C14 F32A 1.311(15) . ?
C14 F34A 1.310(15) . ?
C14 F36A 1.326(15) . ?
C16 C150 1.518(11) . ?
C18 C146 1.539(11) . ?
C18 F46A 1.370(13) . ?
C18 F44A 1.367(13) . ?
C18 F48A 1.268(13) . ?
C20 C132 1.534(13) . ?
C22 C120 1.536(14) . ?
C22 F75A 1.310(16) . ?
C22 F19A 1.392(16) . ?
C22 F77A 1.328(16) . ?
C24 C138 1.520(11) . ?
C24 F5A 1.270(12) . ?
C24 F79A 1.299(11) . ?
C24 F39A 1.362(11) . ?
C26 C116 1.548(14) . ?
C26 F41A 1.243(12) . ?
C26 F81A 1.367(11) . ?
C26 F83A 1.321(12) . ?
C28 C128 1.546(14) . ?
C28 F11A 1.350(13) . ?
C28 F89A 1.306(13) . ?
C28 F87A 1.239(13) . ?
C30 C126 1.526(14) . ?
C32 C140 1.513(11) . ?
C32 F49A 1.303(11) . ?
C32 F97A 1.307(11) . ?
C32 F3A 1.353(11) . ?
C34 C102 1.530(13) . ?
C34 F99A 1.325(11) . ?
C34 F25A 1.404(12) . ?
C34 F110 1.260(12) . ?
C36 C98 1.594(14) . ?
C36 F13A 1.255(12) . ?
C36 F109 1.334(12) . ?
C36 F51A 1.368(12) . ?
C38 C92 1.466(10) . ?
C40 H40 0.9500 . ?
C40 C44 1.368(11) . ?
C42 C154 1.533(11) . ?
C42 C156 1.515(11) . ?
C42 C158 1.497(12) . ?
C44 H44 0.9500 . ?
C44 C48 1.390(10) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C46 C154 1.529(12) . ?
C48 H48 0.9500 . ?
C48 C50 1.366(10) . ?
C50 C52 1.478(10) . ?
C52 C54 1.382(10) . ?
C54 H54 0.9500 . ?
C54 C56 1.397(9) . ?
C56 C58 1.386(10) . ?
C56 C62 1.464(9) . ?
C58 H58 0.9500 . ?
C58 C60 1.361(10) . ?
C60 H60 0.9500 . ?
C64 C122 1.519(13) . ?
C64 F85A 1.263(12) . ?
C64 F21A 1.357(13) . ?
C64 F43A 1.307(12) . ?
C66 C68 1.562(10) . ?
C66 C74 1.536(10) . ?
C66 C76 1.507(9) . ?
C68 C70 1.505(10) . ?
C68 C72 1.532(10) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C78 H78 0.9500 . ?
C78 C80 1.335(12) . ?
C80 H80 0.9500 . ?
C80 C82 1.384(11) . ?
C82 H82 0.9500 . ?
C82 C84 1.402(11) . ?
C84 H84 0.9500 . ?
C84 C86 1.365(11) . ?
C86 C88 1.492(11) . ?
C88 C90 1.380(10) . ?
C90 H90 0.9500 . ?
C90 C92 1.399(10) . ?
C92 C94 1.398(11) . ?
C94 H94 0.9500 . ?
C94 C96 1.373(10) . ?
C96 H96 0.9500 . ?
C98 C100 1.340(13) . ?
C100 H100 0.9500 . ?
C100 C102 1.388(13) . ?
C104 C106 1.368(10) . ?
C106 H106 0.9500 . ?
C106 C108 1.389(11) . ?
C110 C112 1.402(12) . ?
C112 H112 0.9500 . ?
C112 C114 1.342(12) . ?
C116 C118 1.364(13) . ?
C118 H118 0.9500 . ?
C118 C120 1.376(13) . ?
C122 C124 1.364(14) . ?
C124 H124 0.9500 . ?
C124 C126 1.382(13) . ?
C128 C130 1.382(12) . ?
C130 H130 0.9500 . ?
C130 C132 1.389(12) . ?
C134 C136 1.375(10) . ?
C136 H136 0.9500 . ?
C136 C138 1.386(11) . ?
C140 C142 1.372(10) . ?
C142 H142 0.9500 . ?
C142 C144 1.379(10) . ?
C146 C148 1.357(11) . ?
C148 H148 0.9500 . ?
C148 C150 1.399(10) . ?
C152 H15A 0.9800 . ?
C152 H15B 0.9800 . ?
C152 H15C 0.9800 . ?
C152 C154 1.505(11) . ?
C156 H15D 0.9800 . ?
C156 H15E 0.9800 . ?
C156 H15F 0.9800 . ?
C158 H15G 0.9800 . ?
C158 H15H 0.9800 . ?
C158 H15I 0.9800 . ?
Gd2 O2 2.417(5) . ?
Gd2 O3 2.387(5) . ?
Gd2 O9 2.359(5) . ?
Gd2 O11 2.395(5) . ?
Gd2 O17 2.395(5) . ?
Gd2 O33 2.376(5) . ?
Gd2 O35 2.359(5) . ?
Gd2 O37 2.414(5) . ?
Gd3 O7 2.366(5) . ?
Gd3 O13 2.367(5) . ?
Gd3 O15 2.337(5) . ?
Gd3 O27 2.365(5) . ?
Gd3 O29 2.351(5) . ?
Gd3 O31 2.355(5) . ?
Gd3 N5 2.563(6) . ?
Gd3 N11 2.535(6) . ?
Gd5 O5 2.371(5) . ?
Gd5 O19 2.359(6) . ?
Gd5 O21 2.359(6) . ?
Gd5 O39 2.347(5) . ?
Gd5 O41 2.374(5) . ?
Gd5 O43 2.357(6) . ?
Gd5 N7 2.558(7) . ?
Gd5 N15 2.537(7) . ?
F2 C91 1.286(10) . ?
F7 C11 1.304(9) . ?
F15 C45 1.303(8) . ?
F17 C23 1.311(9) . ?
F27 C11 1.299(8) . ?
F29 C89 1.334(8) . ?
F31 C45 1.301(9) . ?
F33 C23 1.293(9) . ?
F35 C51 1.314(9) . ?
F47 C103 1.352(9) . ?
F50 C79 1.299(8) . ?
F52 C79 1.312(9) . ?
F53 C47 1.345(10) . ?
F54 C79 1.312(9) . ?
F55 C11 1.293(9) . ?
F56 C97 1.301(8) . ?
F57 C89 1.314(8) . ?
F58 C97 1.298(8) . ?
F59 C89 1.318(8) . ?
F60 C97 1.275(9) . ?
F61 C45 1.301(8) . ?
F62 C5 1.317(10) . ?
F63 C91 1.300(10) . ?
F64 C5 1.319(10) . ?
F65 C91 1.323(9) . ?
F66 C5 1.299(10) . ?
F67 C23 1.322(9) . ?
F68 C81 1.305(10) . ?
F69 C51 1.300(9) . ?
F70 C81 1.341(11) . ?
F71 C51 1.320(9) . ?
F72 C81 1.310(10) . ?
F74 C41 1.321(10) . ?
F76 C41 1.340(10) . ?
F78 C41 1.287(10) . ?
F80 C83 1.312(8) . ?
F82 C83 1.318(8) . ?
F84 C83 1.296(8) . ?
F86 C21 1.331(9) . ?
F88 C21 1.308(9) . ?
F90 C21 1.284(9) . ?
F92 C85 1.280(10) . ?
F93 C103 1.301(9) . ?
F94 C85 1.313(10) . ?
F95 C103 1.291(8) . ?
F96 C85 1.293(10) . ?
F98 C43 1.290(10) . ?
F100 C43 1.300(9) . ?
F102 C43 1.336(9) . ?
F104 C87 1.360(9) . ?
F105 C47 1.332(9) . ?
F106 C87 1.322(10) . ?
F107 C47 1.306(9) . ?
F108 C87 1.276(9) . ?
O2 C155 1.237(9) . ?
O3 N2 1.300(7) . ?
O5 C143 1.245(9) . ?
O7 C123 1.246(9) . ?
O9 C31 1.256(9) . ?
O11 N13 1.314(8) . ?
O13 C93 1.247(9) . ?
O15 C149 1.253(9) . ?
O17 C19 1.255(9) . ?
O19 C15 1.265(10) . ?
O21 C73 1.252(11) . ?
O23 N3 1.277(8) . ?
O25 N9 1.268(7) . ?
O27 C121 1.235(10) . ?
O29 C109 1.259(9) . ?
O31 C75 1.230(10) . ?
O33 C39 1.264(9) . ?
O35 C153 1.262(9) . ?
O37 C55 1.251(9) . ?
O39 C101 1.251(10) . ?
O41 C9 1.234(9) . ?
O43 C147 1.272(10) . ?
N2 C117 1.333(9) . ?
N2 C157 1.517(9) . ?
N3 C113 1.498(10) . ?
N3 C131 1.368(10) . ?
N5 C137 1.343(9) . ?
N5 C139 1.344(9) . ?
N7 C13 1.363(10) . ?
N7 C99 1.342(10) . ?
N9 C35 1.507(9) . ?
N9 C117 1.350(9) . ?
N11 C53 1.329(10) . ?
N11 C95 1.341(10) . ?
N13 C33 1.515(10) . ?
N13 C131 1.326(10) . ?
N15 C2 1.347(10) . ?
N15 C63 1.346(10) . ?
C2 C13 1.489(10) . ?
C2 C111 1.373(11) . ?
C3 H3 0.9500 . ?
C3 C63 1.357(12) . ?
C3 C127 1.361(11) . ?
C5 C73 1.551(14) . ?
C5 F64A 1.325(12) . ?
C5 F66A 1.327(12) . ?
C5 F62A 1.299(12) . ?
C7 C65 1.388(11) . ?
C7 C129 1.401(10) . ?
C7 C131 1.463(11) . ?
C9 C97 1.521(12) . ?
C9 C119 1.384(12) . ?
C11 C109 1.539(12) . ?
C13 C129 1.377(11) . ?
C15 C41 1.521(14) . ?
C15 C145 1.366(13) . ?
C17 H17 0.9500 . ?
C17 C53 1.390(12) . ?
C17 C115 1.394(12) . ?
C19 C43 1.542(12) . ?
C19 C49 1.386(12) . ?
C21 C153 1.524(12) . ?
C21 F88A 1.334(12) . ?
C21 F86A 1.284(12) . ?
C21 F90A 1.332(12) . ?
C23 C75 1.587(12) . ?
C23 F33A 1.329(15) . ?
C23 F67A 1.296(15) . ?
C23 F17A 1.304(14) . ?
C25 H25 0.9500 . ?
C25 C69 1.392(10) . ?
C25 C139 1.361(10) . ?
C27 H27 0.9500 . ?
C27 C73 1.386(13) . ?
C27 C147 1.370(13) . ?
C29 H29 0.9500 . ?
C29 C69 1.378(10) . ?
C29 C137 1.389(10) . ?
C31 C77 1.361(11) . ?
C31 C103 1.531(11) . ?
C33 C105 1.487(12) . ?
C33 C113 1.549(11) . ?
C33 C133 1.530(11) . ?
C35 C59 1.518(11) . ?
C35 C71 1.524(10) . ?
C35 C157 1.562(11) . ?
C37 H37 0.9500 . ?
C37 C93 1.381(11) . ?
C37 C121 1.372(12) . ?
C39 C83 1.534(12) . ?
C39 C125 1.364(12) . ?
C41 F76A 1.328(14) . ?
C41 F78A 1.335(13) . ?
C41 F74A 1.271(14) . ?
C43 F98A 1.307(13) . ?
C43 F112 1.368(12) . ?
C43 F1B 1.296(12) . ?
C45 C121 1.550(12) . ?
C47 C155 1.531(8) . ?
C47 F111 1.226(14) . ?
C47 F53A 1.396(14) . ?
C47 F1A 1.384(14) . ?
C49 H49 0.9500 . ?
C49 C153 1.381(11) . ?
C51 C123 1.541(12) . ?
C51 F69A 1.312(13) . ?
C51 F71A 1.273(14) . ?
C51 F35A 1.357(13) . ?
C53 C137 1.495(11) . ?
C55 C77 1.389(11) . ?
C55 C87 1.529(12) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C57 C113 1.527(11) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C61 H61 0.9500 . ?
C61 C75 1.381(12) . ?
C61 C149 1.371(12) . ?
C63 H63 0.9500 . ?
C65 H65 0.9500 . ?
C65 C99 1.374(11) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C67 C113 1.514(11) . ?
C69 C117 1.477(10) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C77 H77 0.9500 . ?
C79 C143 1.534(12) . ?
C79 F54A 1.321(16) . ?
C79 F52A 1.292(16) . ?
C79 F50A 1.334(16) . ?
C81 C147 1.540(15) . ?
C85 C101 1.579(14) . ?
C85 F94A 1.229(13) . ?
C85 F92A 1.308(13) . ?
C85 F96A 1.276(12) . ?
C87 F113 1.391(12) . ?
C87 F1C 1.303(13) . ?
C87 F1D 1.302(12) . ?
C89 C93 1.508(12) . ?
C91 C149 1.505(12) . ?
C91 F63A 1.351(13) . ?
C91 F65A 1.242(13) . ?
C91 F2A 1.311(12) . ?
C95 H95 0.9500 . ?
C95 C135 1.330(12) . ?
C99 H99 0.9500 . ?
C101 C145 1.373(13) . ?
C103 F47A 1.271(13) . ?
C103 F93A 1.379(13) . ?
C103 F95A 1.278(13) . ?
C105 H10A 0.9800 . ?
C105 H10B 0.9800 . ?
C105 H10C 0.9800 . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C107 C157 1.516(11) . ?
C109 C151 1.367(11) . ?
C111 H111 0.9500 . ?
C111 C127 1.379(11) . ?
C115 H115 0.9500 . ?
C115 C135 1.389(13) . ?
C119 H119 0.9500 . ?
C119 C143 1.380(11) . ?
C123 C151 1.375(11) . ?
C125 H125 0.9500 . ?
C125 C155 1.408(12) . ?
C127 H127 0.9500 . ?
C129 H129 0.9500 . ?
C133 H13A 0.9800 . ?
C133 H13B 0.9800 . ?
C133 H13C 0.9800 . ?
C135 H135 0.9500 . ?
C139 H139 0.9500 . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C141 C157 1.532(10) . ?
C145 H145 0.9500 . ?
C147 C81A 1.516(17) . ?
C151 H151 0.9500 . ?
F21A F43A 1.75(3) . ?
F68A C81A 1.313(13) . ?
C81A F70A 1.311(13) . ?
C81A F72A 1.318(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Gd1 O6 139.24(16) . . ?
O1 Gd1 O24 71.13(16) . . ?
O1 Gd1 O28 148.32(16) . . ?
O1 Gd1 O30 77.10(16) . . ?
O1 Gd1 O32 70.48(16) . . ?
O6 Gd1 O24 149.63(16) . . ?
O6 Gd1 O28 72.42(16) . . ?
O6 Gd1 O30 69.82(16) . . ?
O6 Gd1 O32 77.82(16) . . ?
O22 Gd1 O1 100.24(16) . . ?
O22 Gd1 O6 96.61(16) . . ?
O22 Gd1 O24 72.64(16) . . ?
O22 Gd1 O26 133.10(16) . . ?
O22 Gd1 O28 70.63(16) . . ?
O22 Gd1 O30 149.52(16) . . ?
O22 Gd1 O32 76.70(16) . . ?
O24 Gd1 O28 77.20(16) . . ?
O24 Gd1 O30 131.99(16) . . ?
O24 Gd1 O32 124.66(16) . . ?
O26 Gd1 O1 96.59(16) . . ?
O26 Gd1 O6 98.42(16) . . ?
O26 Gd1 O24 72.10(16) . . ?
O26 Gd1 O28 72.18(16) . . ?
O26 Gd1 O30 76.96(16) . . ?
O26 Gd1 O32 150.01(17) . . ?
O30 Gd1 O28 126.18(16) . . ?
O30 Gd1 O32 73.83(16) . . ?
O32 Gd1 O28 132.16(16) . . ?
O34 Gd4 O38 77.8(2) . . ?
O34 Gd4 O42 120.55(19) . . ?
O34 Gd4 N6 140.0(2) . . ?
O34 Gd4 N8 153.24(19) . . ?
O36 Gd4 O34 71.81(18) . . ?
O36 Gd4 O38 85.42(19) . . ?
O36 Gd4 O40 147.60(19) . . ?
O36 Gd4 O42 75.42(18) . . ?
O36 Gd4 O44 113.30(19) . . ?
O36 Gd4 N6 78.36(19) . . ?
O36 Gd4 N8 134.66(19) . . ?
O38 Gd4 O42 146.00(19) . . ?
O38 Gd4 N6 73.8(2) . . ?
O38 Gd4 N8 104.6(2) . . ?
O40 Gd4 O34 80.16(19) . . ?
O40 Gd4 O38 72.8(2) . . ?
O40 Gd4 O42 134.7(2) . . ?
O40 Gd4 O44 75.2(2) . . ?
O40 Gd4 N6 116.5(2) . . ?
O40 Gd4 N8 75.4(2) . . ?
O42 Gd4 N6 74.94(19) . . ?
O42 Gd4 N8 72.3(2) . . ?
O44 Gd4 O34 78.05(19) . . ?
O44 Gd4 O38 142.6(2) . . ?
O44 Gd4 O42 71.43(19) . . ?
O44 Gd4 N6 139.5(2) . . ?
O44 Gd4 N8 85.3(2) . . ?
N8 Gd4 N6 63.19(19) . . ?
O10 Gd6 O12 71.2(2) . . ?
O10 Gd6 O14 138.2(2) . . ?
O10 Gd6 O20 76.4(2) . . ?
O10 Gd6 N14 80.2(2) . . ?
O10 Gd6 N16 110.2(2) . . ?
O12 Gd6 O14 71.5(2) . . ?
O12 Gd6 O20 141.6(2) . . ?
O12 Gd6 N14 114.7(2) . . ?
O12 Gd6 N16 74.2(2) . . ?
O14 Gd6 N14 133.3(2) . . ?
O14 Gd6 N16 76.5(2) . . ?
O16 Gd6 O10 85.9(2) . . ?
O16 Gd6 O12 84.6(2) . . ?
O16 Gd6 O14 72.5(2) . . ?
O16 Gd6 O18 96.6(2) . . ?
O16 Gd6 O20 72.9(2) . . ?
O16 Gd6 N14 150.4(2) . . ?
O16 Gd6 N16 146.7(2) . . ?
O18 Gd6 O10 146.5(2) . . ?
O18 Gd6 O12 142.3(2) . . ?
O18 Gd6 O14 73.1(2) . . ?
O18 Gd6 O20 72.6(2) . . ?
O18 Gd6 N14 81.6(2) . . ?
O18 Gd6 N16 85.6(2) . . ?
O20 Gd6 O14 127.1(2) . . ?
O20 Gd6 N14 78.5(2) . . ?
O20 Gd6 N16 138.0(2) . . ?
N14 Gd6 N16 62.8(2) . . ?
N1 O1 Gd1 138.4(4) . . ?
N10 O6 Gd1 136.6(4) . . ?
C120 O10 Gd6 136.1(6) . . ?
C116 O12 Gd6 135.5(6) . . ?
C126 O14 Gd6 131.5(6) . . ?
C122 O16 Gd6 134.3(6) . . ?
C128 O18 Gd6 133.0(6) . . ?
C132 O20 Gd6 133.6(6) . . ?
C140 O22 Gd1 131.7(4) . . ?
C144 O24 Gd1 132.5(4) . . ?
C138 O26 Gd1 132.5(5) . . ?
C134 O28 Gd1 131.0(5) . . ?
C150 O30 Gd1 132.9(5) . . ?
C146 O32 Gd1 132.5(5) . . ?
C108 O34 Gd4 135.2(5) . . ?
C104 O36 Gd4 136.9(5) . . ?
C102 O38 Gd4 132.5(6) . . ?
C98 O40 Gd4 132.6(6) . . ?
C110 O42 Gd4 134.5(5) . . ?
C114 O44 Gd4 136.1(5) . . ?
O1 N1 C62 126.7(6) . . ?
O1 N1 C68 120.1(5) . . ?
C62 N1 C68 112.6(5) . . ?
O4 N4 C62 126.0(6) . . ?
O4 N4 C66 122.4(5) . . ?
C62 N4 C66 111.3(5) . . ?
C52 N6 Gd4 121.9(5) . . ?
C52 N6 C60 117.5(6) . . ?
C60 N6 Gd4 120.2(5) . . ?
C1 N8 Gd4 119.7(5) . . ?
C50 N8 Gd4 121.8(5) . . ?
C50 N8 C1 118.3(7) . . ?
O6 N10 C38 124.9(6) . . ?
O6 N10 C154 121.8(6) . . ?
C38 N10 C154 112.7(6) . . ?
O8 N12 C38 124.8(6) . . ?
O8 N12 C42 123.1(6) . . ?
C38 N12 C42 111.8(6) . . ?
C78 N14 Gd6 120.3(5) . . ?
C86 N14 Gd6 122.8(5) . . ?
C86 N14 C78 116.9(7) . . ?
C88 N16 Gd6 121.9(5) . . ?
C96 N16 Gd6 120.2(5) . . ?
C96 N16 C88 117.4(6) . . ?
N8 C1 H1 118.0 . . ?
N8 C1 C40 124.0(8) . . ?
C40 C1 H1 118.0 . . ?
F1 C4 F4 106.5(6) . . ?
F1 C4 C104 113.5(6) . . ?
F4 C4 C104 110.6(6) . . ?
F6 C4 F1 108.5(6) . . ?
F6 C4 F4 106.2(6) . . ?
F6 C4 C104 111.2(6) . . ?
F8 C6 F10 105.1(7) . . ?
F8 C6 C108 110.5(7) . . ?
F10 C6 C108 112.6(7) . . ?
F12 C6 F8 107.4(7) . . ?
F12 C6 F10 107.7(7) . . ?
F12 C6 C108 113.0(7) . . ?
F14 C8 C114 108.3(8) . . ?
F16 C8 F14 107.8(9) . . ?
F16 C8 C114 107.9(9) . . ?
F18 C8 F14 105.4(9) . . ?
F18 C8 F16 111.4(10) . . ?
F18 C8 C114 115.7(9) . . ?
F14A C8 C114 115.5(15) . . ?
F14A C8 F16A 105.2(17) . . ?
F18A C8 C114 116.4(13) . . ?
F18A C8 F14A 112.6(18) . . ?
F18A C8 F16A 102.1(16) . . ?
F16A C8 C114 102.8(12) . . ?
F20 C10 F22 109.8(8) . . ?
F20 C10 C110 111.5(8) . . ?
F22 C10 C110 108.5(8) . . ?
F24 C10 F20 109.9(9) . . ?
F24 C10 F22 106.9(9) . . ?
F24 C10 C110 110.1(8) . . ?
F26 C12 C144 111.8(6) . . ?
F28 C12 F26 110.4(7) . . ?
F28 C12 F30 108.2(7) . . ?
F28 C12 C144 108.5(6) . . ?
F30 C12 F26 105.3(7) . . ?
F30 C12 C144 112.5(7) . . ?
F30A C12 C144 111.9(13) . . ?
F28A C12 C144 113.7(14) . . ?
F28A C12 F30A 105.5(19) . . ?
F26A C12 C144 111.8(19) . . ?
F26A C12 F30A 94(2) . . ?
F26A C12 F28A 118(2) . . ?
F32 C14 F36 107.3(8) . . ?
F32 C14 C134 109.1(7) . . ?
F34 C14 F32 109.1(8) . . ?
F34 C14 F36 108.1(7) . . ?
F34 C14 C134 111.5(7) . . ?
F36 C14 C134 111.6(7) . . ?
F32A C14 C134 114.9(14) . . ?
F32A C14 F36A 98(2) . . ?
F34A C14 C134 114.1(18) . . ?
F34A C14 F32A 119(2) . . ?
F34A C14 F36A 101(2) . . ?
F36A C14 C134 106.5(16) . . ?
F38 C16 F40 105.5(7) . . ?
F38 C16 C150 111.6(6) . . ?
F40 C16 C150 110.9(6) . . ?
F42 C16 F38 107.4(6) . . ?
F42 C16 F40 106.9(6) . . ?
F42 C16 C150 114.1(6) . . ?
F44 C18 F46 110.8(8) . . ?
F44 C18 F48 109.7(8) . . ?
F44 C18 C146 114.8(8) . . ?
F46 C18 F48 102.5(8) . . ?
F46 C18 C146 111.0(7) . . ?
F48 C18 C146 107.3(7) . . ?
F46A C18 C146 105.3(10) . . ?
F44A C18 C146 110.7(11) . . ?
F44A C18 F46A 101.9(14) . . ?
F48A C18 C146 123.6(10) . . ?
F48A C18 F46A 105.7(15) . . ?
F48A C18 F44A 107.4(15) . . ?
F9 C20 F37 106.9(9) . . ?
F9 C20 C132 110.9(8) . . ?
F37 C20 C132 113.1(8) . . ?
F73 C20 F9 106.4(9) . . ?
F73 C20 F37 107.4(8) . . ?
F73 C20 C132 111.8(8) . . ?
F19 C22 C120 113.0(9) . . ?
F75 C22 F19 107.7(9) . . ?
F75 C22 F77 108.6(9) . . ?
F75 C22 C120 111.2(8) . . ?
F77 C22 F19 108.9(10) . . ?
F77 C22 C120 107.4(9) . . ?
F75A C22 C120 114.9(18) . . ?
F75A C22 F19A 86(2) . . ?
F75A C22 F77A 124(3) . . ?
F19A C22 C120 98.1(19) . . ?
F77A C22 C120 121(3) . . ?
F77A C22 F19A 91(4) . . ?
F5 C24 C138 112.1(7) . . ?
F39 C24 F5 104.5(8) . . ?
F39 C24 C138 109.1(8) . . ?
F79 C24 F5 105.4(8) . . ?
F79 C24 F39 111.5(9) . . ?
F79 C24 C138 113.8(8) . . ?
F5A C24 C138 116.5(10) . . ?
F5A C24 F79A 116.7(14) . . ?
F5A C24 F39A 102.6(12) . . ?
F79A C24 C138 110.1(9) . . ?
F79A C24 F39A 98.0(11) . . ?
F39A C24 C138 111.0(9) . . ?
F41 C26 C116 106.4(9) . . ?
F81 C26 F41 101.0(10) . . ?
F81 C26 C116 111.7(9) . . ?
F83 C26 F41 106.8(11) . . ?
F83 C26 F81 113.0(11) . . ?
F83 C26 C116 116.4(12) . . ?
F41A C26 C116 116.4(10) . . ?
F41A C26 F81A 102.5(11) . . ?
F41A C26 F83A 115.8(13) . . ?
F81A C26 C116 105.4(9) . . ?
F83A C26 C116 108.8(12) . . ?
F83A C26 F81A 106.7(11) . . ?
F11 C28 F87 101.3(10) . . ?
F11 C28 C128 109.1(9) . . ?
F87 C28 C128 109.9(9) . . ?
F89 C28 F11 111.3(11) . . ?
F89 C28 F87 108.7(10) . . ?
F89 C28 C128 115.6(10) . . ?
F11A C28 C128 105.4(11) . . ?
F89A C28 C128 112.0(11) . . ?
F89A C28 F11A 100.7(14) . . ?
F87A C28 C128 118.7(12) . . ?
F87A C28 F11A 97.8(15) . . ?
F87A C28 F89A 118.2(15) . . ?
F23 C30 F45 107.8(9) . . ?
F23 C30 F91 104.6(8) . . ?
F23 C30 C126 112.7(8) . . ?
F45 C30 F91 109.1(9) . . ?
F45 C30 C126 111.3(8) . . ?
F91 C30 C126 111.1(8) . . ?
F3 C32 F97 103.8(8) . . ?
F3 C32 C140 111.5(8) . . ?
F49 C32 F3 113.2(9) . . ?
F49 C32 F97 107.2(8) . . ?
F49 C32 C140 110.5(7) . . ?
F97 C32 C140 110.4(7) . . ?
F49A C32 C140 117.7(9) . . ?
F49A C32 F97A 105.1(11) . . ?
F49A C32 F3A 101.5(11) . . ?
F97A C32 C140 113.4(9) . . ?
F97A C32 F3A 103.6(11) . . ?
F3A C32 C140 113.9(8) . . ?
F25 C34 F99 108.6(10) . . ?
F25 C34 F101 103.5(10) . . ?
F25 C34 C102 119.6(11) . . ?
F99 C34 F101 98.6(10) . . ?
F99 C34 C102 115.1(9) . . ?
F101 C34 C102 108.7(9) . . ?
F99A C34 C102 106.5(10) . . ?
F99A C34 F25A 97.8(11) . . ?
F25A C34 C102 105.3(10) . . ?
F110 C34 C102 117.7(10) . . ?
F110 C34 F99A 118.5(13) . . ?
F110 C34 F25A 108.5(13) . . ?
F13 C36 F103 101.6(10) . . ?
F13 C36 C98 107.3(10) . . ?
F51 C36 F13 108.5(10) . . ?
F51 C36 F103 109.2(11) . . ?
F51 C36 C98 115.8(10) . . ?
F103 C36 C98 113.3(9) . . ?
F13A C36 C98 113.6(11) . . ?
F13A C36 F109 108.4(14) . . ?
F13A C36 F51A 123.1(14) . . ?
F109 C36 C98 102.8(10) . . ?
F109 C36 F51A 101.6(13) . . ?
F51A C36 C98 105.0(10) . . ?
N10 C38 N12 107.7(6) . . ?
N10 C38 C92 127.6(7) . . ?
N12 C38 C92 124.7(7) . . ?
C1 C40 H40 121.7 . . ?
C44 C40 C1 116.5(8) . . ?
C44 C40 H40 121.7 . . ?
N12 C42 C154 100.9(6) . . ?
N12 C42 C156 108.9(6) . . ?
C156 C42 C154 114.9(7) . . ?
C158 C42 N12 105.3(7) . . ?
C158 C42 C154 112.9(7) . . ?
C158 C42 C156 112.7(7) . . ?
C40 C44 H44 119.7 . . ?
C40 C44 C48 120.6(8) . . ?
C48 C44 H44 119.7 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C154 C46 H46A 109.5 . . ?
C154 C46 H46B 109.5 . . ?
C154 C46 H46C 109.5 . . ?
C44 C48 H48 120.3 . . ?
C50 C48 C44 119.4(7) . . ?
C50 C48 H48 120.3 . . ?
N8 C50 C48 121.0(7) . . ?
N8 C50 C52 116.4(7) . . ?
C48 C50 C52 122.6(7) . . ?
N6 C52 C50 115.6(6) . . ?
N6 C52 C54 121.2(7) . . ?
C54 C52 C50 123.1(7) . . ?
C52 C54 H54 119.7 . . ?
C52 C54 C56 120.6(7) . . ?
C56 C54 H54 119.7 . . ?
C54 C56 C62 122.4(6) . . ?
C58 C56 C54 117.5(6) . . ?
C58 C56 C62 120.1(6) . . ?
C56 C58 H58 120.6 . . ?
C60 C58 C56 118.8(7) . . ?
C60 C58 H58 120.6 . . ?
N6 C60 C58 124.3(7) . . ?
N6 C60 H60 117.9 . . ?
C58 C60 H60 117.9 . . ?
N1 C62 N4 108.3(6) . . ?
N1 C62 C56 126.9(6) . . ?
N4 C62 C56 124.8(6) . . ?
F21 C64 F85 106.7(10) . . ?
F21 C64 C122 113.1(10) . . ?
F43 C64 F21 109.1(11) . . ?
F43 C64 F85 103.0(10) . . ?
F43 C64 C122 113.4(10) . . ?
F85 C64 C122 110.9(9) . . ?
F85A C64 C122 115.5(11) . . ?
F85A C64 F21A 109.6(14) . . ?
F85A C64 F43A 121.4(14) . . ?
F21A C64 C122 108.2(10) . . ?
F43A C64 C122 114.0(11) . . ?
F43A C64 F21A 82.0(13) . . ?
N4 C66 C68 99.4(5) . . ?
N4 C66 C74 105.1(6) . . ?
C74 C66 C68 113.0(6) . . ?
C76 C66 N4 110.8(6) . . ?
C76 C66 C68 115.9(6) . . ?
C76 C66 C74 111.4(6) . . ?
N1 C68 C66 100.0(5) . . ?
N1 C68 C72 104.7(6) . . ?
C70 C68 N1 111.3(6) . . ?
C70 C68 C66 114.1(6) . . ?
C70 C68 C72 112.1(6) . . ?
C72 C68 C66 113.5(6) . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C68 C72 H72A 109.5 . . ?
C68 C72 H72B 109.5 . . ?
C68 C72 H72C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C66 C74 H74A 109.5 . . ?
C66 C74 H74B 109.5 . . ?
C66 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C66 C76 H76A 109.5 . . ?
C66 C76 H76B 109.5 . . ?
C66 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N14 C78 H78 117.8 . . ?
C80 C78 N14 124.4(8) . . ?
C80 C78 H78 117.8 . . ?
C78 C80 H80 120.6 . . ?
C78 C80 C82 118.9(9) . . ?
C82 C80 H80 120.6 . . ?
C80 C82 H82 120.9 . . ?
C80 C82 C84 118.1(8) . . ?
C84 C82 H82 120.9 . . ?
C82 C84 H84 120.3 . . ?
C86 C84 C82 119.3(7) . . ?
C86 C84 H84 120.3 . . ?
N14 C86 C84 122.3(7) . . ?
N14 C86 C88 116.1(7) . . ?
C84 C86 C88 121.3(7) . . ?
N16 C88 C86 114.9(6) . . ?
N16 C88 C90 122.0(7) . . ?
C90 C88 C86 123.2(7) . . ?
C88 C90 H90 120.0 . . ?
C88 C90 C92 120.0(7) . . ?
C92 C90 H90 120.0 . . ?
C90 C92 C38 121.5(7) . . ?
C94 C92 C38 120.8(7) . . ?
C94 C92 C90 117.7(7) . . ?
C92 C94 H94 120.8 . . ?
C96 C94 C92 118.3(7) . . ?
C96 C94 H94 120.8 . . ?
N16 C96 C94 124.4(8) . . ?
N16 C96 H96 117.8 . . ?
C94 C96 H96 117.8 . . ?
O40 C98 C36 113.2(8) . . ?
O40 C98 C100 128.6(9) . . ?
C100 C98 C36 118.2(9) . . ?
C98 C100 H100 118.2 . . ?
C98 C100 C102 123.6(9) . . ?
C102 C100 H100 118.2 . . ?
O38 C102 C34 113.9(8) . . ?
O38 C102 C100 126.0(9) . . ?
C100 C102 C34 120.0(8) . . ?
O36 C104 C4 113.4(6) . . ?
O36 C104 C106 126.5(7) . . ?
C106 C104 C4 120.0(7) . . ?
C104 C106 H106 119.0 . . ?
C104 C106 C108 122.0(7) . . ?
C108 C106 H106 119.0 . . ?
O34 C108 C6 113.9(7) . . ?
O34 C108 C106 127.5(8) . . ?
C106 C108 C6 118.6(7) . . ?
O42 C110 C10 113.1(7) . . ?
O42 C110 C112 127.3(8) . . ?
C112 C110 C10 119.6(8) . . ?
C110 C112 H112 119.4 . . ?
C114 C112 C110 121.3(9) . . ?
C114 C112 H112 119.4 . . ?
O44 C114 C8 112.4(7) . . ?
O44 C114 C112 128.6(8) . . ?
C112 C114 C8 118.9(8) . . ?
O12 C116 C26 113.5(8) . . ?
O12 C116 C118 128.0(9) . . ?
C118 C116 C26 118.5(8) . . ?
C116 C118 H118 119.1 . . ?
C116 C118 C120 121.8(9) . . ?
C120 C118 H118 119.1 . . ?
O10 C120 C22 113.6(8) . . ?
O10 C120 C118 126.0(9) . . ?
C118 C120 C22 120.3(8) . . ?
O16 C122 C64 115.8(9) . . ?
O16 C122 C124 128.0(9) . . ?
C124 C122 C64 116.2(9) . . ?
C122 C124 H124 118.8 . . ?
C122 C124 C126 122.4(10) . . ?
C126 C124 H124 118.8 . . ?
O14 C126 C30 113.1(8) . . ?
O14 C126 C124 127.2(10) . . ?
C124 C126 C30 119.6(9) . . ?
O18 C128 C28 114.6(8) . . ?
O18 C128 C130 127.9(9) . . ?
C130 C128 C28 117.4(8) . . ?
C128 C130 H130 118.8 . . ?
C128 C130 C132 122.3(9) . . ?
C132 C130 H130 118.8 . . ?
O20 C132 C20 113.4(8) . . ?
O20 C132 C130 126.3(8) . . ?
C130 C132 C20 120.2(8) . . ?
O28 C134 C14 114.0(6) . . ?
O28 C134 C136 127.8(7) . . ?
C136 C134 C14 118.3(7) . . ?
C134 C136 H136 118.5 . . ?
C134 C136 C138 123.1(7) . . ?
C138 C136 H136 118.5 . . ?
O26 C138 C24 115.2(7) . . ?
O26 C138 C136 126.4(7) . . ?
C136 C138 C24 118.3(7) . . ?
O22 C140 C32 114.3(6) . . ?
O22 C140 C142 127.3(7) . . ?
C142 C140 C32 118.3(7) . . ?
C140 C142 H142 118.1 . . ?
C140 C142 C144 123.8(7) . . ?
C144 C142 H142 118.1 . . ?
O24 C144 C12 113.4(6) . . ?
O24 C144 C142 126.4(7) . . ?
C142 C144 C12 120.2(7) . . ?
O32 C146 C18 113.2(7) . . ?
O32 C146 C148 129.2(7) . . ?
C148 C146 C18 117.6(7) . . ?
C146 C148 H148 118.5 . . ?
C146 C148 C150 123.0(7) . . ?
C150 C148 H148 118.5 . . ?
O30 C150 C16 113.4(6) . . ?
O30 C150 C148 128.5(7) . . ?
C148 C150 C16 118.1(7) . . ?
H15A C152 H15B 109.5 . . ?
H15A C152 H15C 109.5 . . ?
H15B C152 H15C 109.5 . . ?
C154 C152 H15A 109.5 . . ?
C154 C152 H15B 109.5 . . ?
C154 C152 H15C 109.5 . . ?
N10 C154 C42 100.8(6) . . ?
N10 C154 C46 104.7(6) . . ?
C46 C154 C42 113.3(7) . . ?
C152 C154 N10 110.2(6) . . ?
C152 C154 C42 115.6(7) . . ?
C152 C154 C46 111.2(7) . . ?
C42 C156 H15D 109.5 . . ?
C42 C156 H15E 109.5 . . ?
C42 C156 H15F 109.5 . . ?
H15D C156 H15E 109.5 . . ?
H15D C156 H15F 109.5 . . ?
H15E C156 H15F 109.5 . . ?
C42 C158 H15G 109.5 . . ?
C42 C158 H15H 109.5 . . ?
C42 C158 H15I 109.5 . . ?
H15G C158 H15H 109.5 . . ?
H15G C158 H15I 109.5 . . ?
H15H C158 H15I 109.5 . . ?
O3 Gd2 O2 68.77(17) . . ?
O3 Gd2 O11 143.60(17) . . ?
O3 Gd2 O17 144.66(17) . . ?
O3 Gd2 O37 71.57(17) . . ?
O9 Gd2 O2 76.91(18) . . ?
O9 Gd2 O3 92.76(17) . . ?
O9 Gd2 O11 94.94(17) . . ?
O9 Gd2 O17 74.35(18) . . ?
O9 Gd2 O33 148.92(18) . . ?
O9 Gd2 O37 72.13(18) . . ?
O11 Gd2 O2 78.46(18) . . ?
O11 Gd2 O37 144.32(17) . . ?
O17 Gd2 O2 135.73(18) . . ?
O17 Gd2 O11 71.33(18) . . ?
O17 Gd2 O37 73.16(17) . . ?
O33 Gd2 O2 72.51(18) . . ?
O33 Gd2 O3 81.39(17) . . ?
O33 Gd2 O11 73.83(17) . . ?
O33 Gd2 O17 125.88(18) . . ?
O33 Gd2 O37 132.62(17) . . ?
O35 Gd2 O2 145.14(17) . . ?
O35 Gd2 O3 99.80(17) . . ?
O35 Gd2 O9 137.73(18) . . ?
O35 Gd2 O11 98.10(18) . . ?
O35 Gd2 O17 72.21(18) . . ?
O35 Gd2 O33 73.25(18) . . ?
O35 Gd2 O37 73.98(18) . . ?
O37 Gd2 O2 127.56(18) . . ?
O7 Gd3 O13 142.32(18) . . ?
O7 Gd3 N5 109.43(19) . . ?
O7 Gd3 N11 74.91(19) . . ?
O13 Gd3 N5 74.73(19) . . ?
O13 Gd3 N11 74.2(2) . . ?
O15 Gd3 O7 143.12(19) . . ?
O15 Gd3 O13 74.10(19) . . ?
O15 Gd3 O27 114.26(19) . . ?
O15 Gd3 O29 76.27(19) . . ?
O15 Gd3 O31 73.06(19) . . ?
O15 Gd3 N5 81.32(19) . . ?
O15 Gd3 N11 137.50(19) . . ?
O27 Gd3 O7 82.49(19) . . ?
O27 Gd3 O13 72.08(18) . . ?
O27 Gd3 N5 136.90(19) . . ?
O27 Gd3 N11 81.4(2) . . ?
O29 Gd3 O7 72.86(18) . . ?
O29 Gd3 O13 140.54(18) . . ?
O29 Gd3 O27 145.39(18) . . ?
O29 Gd3 O31 77.78(19) . . ?
O29 Gd3 N5 75.55(19) . . ?
O29 Gd3 N11 113.9(2) . . ?
O31 Gd3 O7 81.05(19) . . ?
O31 Gd3 O13 116.76(19) . . ?
O31 Gd3 O27 74.64(19) . . ?
O31 Gd3 N5 146.6(2) . . ?
O31 Gd3 N11 148.0(2) . . ?
N11 Gd3 N5 63.5(2) . . ?
O5 Gd5 O41 71.32(19) . . ?
O5 Gd5 N7 82.9(2) . . ?
O5 Gd5 N15 88.7(2) . . ?
O19 Gd5 O5 146.42(19) . . ?
O19 Gd5 O41 76.6(2) . . ?
O19 Gd5 N7 114.1(2) . . ?
O19 Gd5 N15 75.3(2) . . ?
O21 Gd5 O5 104.2(2) . . ?
O21 Gd5 O19 77.9(2) . . ?
O21 Gd5 O41 77.3(2) . . ?
O21 Gd5 N7 146.7(2) . . ?
O21 Gd5 N15 147.4(2) . . ?
O39 Gd5 O5 141.2(2) . . ?
O39 Gd5 O19 72.3(2) . . ?
O39 Gd5 O21 81.9(2) . . ?
O39 Gd5 O41 145.6(2) . . ?
O39 Gd5 O43 74.5(2) . . ?
O39 Gd5 N7 73.5(2) . . ?
O39 Gd5 N15 106.8(2) . . ?
O41 Gd5 N7 134.5(2) . . ?
O41 Gd5 N15 78.8(2) . . ?
O43 Gd5 O5 71.3(2) . . ?
O43 Gd5 O19 137.7(2) . . ?
O43 Gd5 O21 72.0(2) . . ?
O43 Gd5 O41 123.1(2) . . ?
O43 Gd5 N7 80.0(2) . . ?
O43 Gd5 N15 140.4(2) . . ?
N15 Gd5 N7 63.5(2) . . ?
C155 O2 Gd2 133.4(5) . . ?
N2 O3 Gd2 134.4(4) . . ?
C143 O5 Gd5 132.9(5) . . ?
C123 O7 Gd3 133.2(5) . . ?
C31 O9 Gd2 133.0(5) . . ?
N13 O11 Gd2 134.4(4) . . ?
C93 O13 Gd3 134.7(5) . . ?
C149 O15 Gd3 134.4(5) . . ?
C19 O17 Gd2 131.7(5) . . ?
C15 O19 Gd5 132.9(6) . . ?
C73 O21 Gd5 134.2(6) . . ?
C121 O27 Gd3 135.2(5) . . ?
C109 O29 Gd3 133.2(5) . . ?
C75 O31 Gd3 133.3(5) . . ?
C39 O33 Gd2 134.5(5) . . ?
C153 O35 Gd2 134.9(5) . . ?
C55 O37 Gd2 132.6(5) . . ?
C101 O39 Gd5 133.7(6) . . ?
C9 O41 Gd5 134.8(5) . . ?
C147 O43 Gd5 135.4(6) . . ?
O3 N2 C117 126.2(6) . . ?
O3 N2 C157 120.6(5) . . ?
C117 N2 C157 112.2(6) . . ?
O23 N3 C113 122.8(6) . . ?
O23 N3 C131 125.8(7) . . ?
C131 N3 C113 111.3(6) . . ?
C137 N5 Gd3 120.9(5) . . ?
C137 N5 C139 116.6(6) . . ?
C139 N5 Gd3 122.1(5) . . ?
C13 N7 Gd5 121.7(5) . . ?
C99 N7 Gd5 121.2(5) . . ?
C99 N7 C13 117.1(7) . . ?
O25 N9 C35 121.1(6) . . ?
O25 N9 C117 125.8(6) . . ?
C117 N9 C35 112.8(6) . . ?
C53 N11 Gd3 121.0(5) . . ?
C53 N11 C95 118.6(7) . . ?
C95 N11 Gd3 119.2(5) . . ?
O11 N13 C33 121.0(6) . . ?
O11 N13 C131 126.2(7) . . ?
C131 N13 C33 112.3(6) . . ?
C2 N15 Gd5 122.5(5) . . ?
C63 N15 Gd5 119.4(5) . . ?
C63 N15 C2 117.6(7) . . ?
N15 C2 C13 116.4(7) . . ?
N15 C2 C111 121.6(7) . . ?
C111 C2 C13 122.0(7) . . ?
C63 C3 H3 120.6 . . ?
C63 C3 C127 118.7(8) . . ?
C127 C3 H3 120.6 . . ?
F62 C5 F64 103.8(11) . . ?
F62 C5 C73 110.4(10) . . ?
F64 C5 C73 112.8(11) . . ?
F66 C5 F62 106.1(11) . . ?
F66 C5 F64 107.8(11) . . ?
F66 C5 C73 115.1(10) . . ?
F64A C5 C73 112.4(11) . . ?
F64A C5 F66A 101.5(13) . . ?
F66A C5 C73 103.5(10) . . ?
F62A C5 C73 111.4(10) . . ?
F62A C5 F64A 114.3(14) . . ?
F62A C5 F66A 112.8(13) . . ?
C65 C7 C129 117.4(7) . . ?
C65 C7 C131 120.7(7) . . ?
C129 C7 C131 121.9(7) . . ?
O41 C9 C97 113.7(7) . . ?
O41 C9 C119 127.2(8) . . ?
C119 C9 C97 119.0(7) . . ?
F7 C11 C109 111.0(8) . . ?
F27 C11 F7 109.1(8) . . ?
F27 C11 C109 113.4(7) . . ?
F55 C11 F7 105.7(8) . . ?
F55 C11 F27 107.3(8) . . ?
F55 C11 C109 110.0(8) . . ?
N7 C13 C2 115.5(7) . . ?
N7 C13 C129 121.9(7) . . ?
C129 C13 C2 122.6(7) . . ?
O19 C15 C41 112.7(8) . . ?
O19 C15 C145 126.8(9) . . ?
C145 C15 C41 120.5(9) . . ?
C53 C17 H17 121.3 . . ?
C53 C17 C115 117.5(9) . . ?
C115 C17 H17 121.3 . . ?
O17 C19 C43 113.8(7) . . ?
O17 C19 C49 128.4(8) . . ?
C49 C19 C43 117.8(8) . . ?
F86 C21 C153 113.5(8) . . ?
F88 C21 F86 102.8(8) . . ?
F88 C21 C153 113.0(8) . . ?
F90 C21 F86 106.4(9) . . ?
F90 C21 F88 106.7(10) . . ?
F90 C21 C153 113.7(8) . . ?
F88A C21 C153 110.2(9) . . ?
F86A C21 C153 109.1(11) . . ?
F86A C21 F88A 95.2(13) . . ?
F86A C21 F90A 133.3(14) . . ?
F90A C21 C153 107.6(10) . . ?
F90A C21 F88A 98.3(12) . . ?
F17 C23 F67 110.3(9) . . ?
F17 C23 C75 110.6(8) . . ?
F33 C23 F17 111.0(9) . . ?
F33 C23 F67 106.8(9) . . ?
F33 C23 C75 109.3(9) . . ?
F67 C23 C75 108.7(8) . . ?
F33A C23 C75 110.8(15) . . ?
F67A C23 C75 110.9(16) . . ?
F67A C23 F33A 103(2) . . ?
F67A C23 F17A 132(2) . . ?
F17A C23 C75 103.0(15) . . ?
F17A C23 F33A 95(2) . . ?
C69 C25 H25 120.8 . . ?
C139 C25 H25 120.8 . . ?
C139 C25 C69 118.3(7) . . ?
C73 C27 H27 118.8 . . ?
C147 C27 H27 118.8 . . ?
C147 C27 C73 122.4(9) . . ?
C69 C29 H29 120.2 . . ?
C69 C29 C137 119.7(7) . . ?
C137 C29 H29 120.2 . . ?
O9 C31 C77 128.7(8) . . ?
O9 C31 C103 113.2(7) . . ?
C77 C31 C103 118.1(7) . . ?
N13 C33 C113 98.8(6) . . ?
N13 C33 C133 110.5(6) . . ?
C105 C33 N13 106.0(7) . . ?
C105 C33 C113 114.7(7) . . ?
C105 C33 C133 110.9(7) . . ?
C133 C33 C113 114.9(7) . . ?
N9 C35 C59 107.4(6) . . ?
N9 C35 C71 109.0(6) . . ?
N9 C35 C157 99.6(5) . . ?
C59 C35 C71 110.9(6) . . ?
C59 C35 C157 114.4(6) . . ?
C71 C35 C157 114.6(6) . . ?
C93 C37 H37 119.3 . . ?
C121 C37 H37 119.3 . . ?
C121 C37 C93 121.5(8) . . ?
O33 C39 C83 114.1(7) . . ?
O33 C39 C125 126.6(8) . . ?
C125 C39 C83 119.3(8) . . ?
F74 C41 F76 103.6(10) . . ?
F74 C41 C15 108.0(9) . . ?
F76 C41 C15 112.2(9) . . ?
F78 C41 F74 112.3(11) . . ?
F78 C41 F76 105.7(11) . . ?
F78 C41 C15 114.5(11) . . ?
F76A C41 C15 110.7(14) . . ?
F76A C41 F78A 96.3(16) . . ?
F78A C41 C15 103.0(13) . . ?
F74A C41 C15 123.9(14) . . ?
F74A C41 F76A 120.2(19) . . ?
F74A C41 F78A 93.9(17) . . ?
F98 C43 F100 113.2(10) . . ?
F98 C43 F102 105.7(9) . . ?
F98 C43 C19 111.7(11) . . ?
F100 C43 F102 109.3(9) . . ?
F100 C43 C19 107.1(8) . . ?
F102 C43 C19 109.9(8) . . ?
F98A C43 C19 110.9(14) . . ?
F98A C43 F112 97.9(13) . . ?
F112 C43 C19 109.8(9) . . ?
F1B C43 C19 117.2(10) . . ?
F1B C43 F98A 116.0(14) . . ?
F1B C43 F112 102.6(12) . . ?
F15 C45 C121 109.8(7) . . ?
F31 C45 F15 107.5(8) . . ?
F31 C45 C121 112.5(7) . . ?
F61 C45 F15 106.6(8) . . ?
F61 C45 F31 107.7(9) . . ?
F61 C45 C121 112.4(7) . . ?
F53 C47 C155 113.9(9) . . ?
F105 C47 F53 109.8(9) . . ?
F105 C47 C155 107.2(8) . . ?
F107 C47 F53 110.9(9) . . ?
F107 C47 F105 109.8(9) . . ?
F107 C47 C155 105.0(8) . . ?
F111 C47 C155 136.2(14) . . ?
F111 C47 F53A 96.8(18) . . ?
F111 C47 F1A 102.9(19) . . ?
F53A C47 C155 112.8(12) . . ?
F1A C47 C155 105.4(13) . . ?
F1A C47 F53A 95.4(17) . . ?
C19 C49 H49 118.7 . . ?
C153 C49 C19 122.6(8) . . ?
C153 C49 H49 118.7 . . ?
F35 C51 F71 104.9(9) . . ?
F35 C51 C123 110.3(8) . . ?
F69 C51 F35 110.5(9) . . ?
F69 C51 F71 107.2(9) . . ?
F69 C51 C123 113.9(8) . . ?
F71 C51 C123 109.7(8) . . ?
F69A C51 C123 115.7(12) . . ?
F69A C51 F35A 96.1(16) . . ?
F71A C51 C123 117.8(13) . . ?
F71A C51 F69A 117.3(17) . . ?
F71A C51 F35A 98.5(17) . . ?
F35A C51 C123 105.9(11) . . ?
N11 C53 C17 120.7(8) . . ?
N11 C53 C137 117.4(7) . . ?
C17 C53 C137 120.8(8) . . ?
O37 C55 C77 126.8(8) . . ?
O37 C55 C87 114.6(7) . . ?
C77 C55 C87 118.6(7) . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C113 C57 H57A 109.5 . . ?
C113 C57 H57B 109.5 . . ?
C113 C57 H57C 109.5 . . ?
C35 C59 H59A 109.5 . . ?
C35 C59 H59B 109.5 . . ?
C35 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C75 C61 H61 118.8 . . ?
C149 C61 H61 118.8 . . ?
C149 C61 C75 122.4(8) . . ?
N15 C63 C3 123.4(8) . . ?
N15 C63 H63 118.3 . . ?
C3 C63 H63 118.3 . . ?
C7 C65 H65 120.4 . . ?
C99 C65 C7 119.1(8) . . ?
C99 C65 H65 120.4 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C113 C67 H67A 109.5 . . ?
C113 C67 H67B 109.5 . . ?
C113 C67 H67C 109.5 . . ?
C25 C69 C117 120.7(7) . . ?
C29 C69 C25 118.2(7) . . ?
C29 C69 C117 121.1(7) . . ?
C35 C71 H71A 109.5 . . ?
C35 C71 H71B 109.5 . . ?
C35 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O21 C73 C5 113.9(8) . . ?
O21 C73 C27 127.6(9) . . ?
C27 C73 C5 118.5(9) . . ?
O31 C75 C23 112.1(7) . . ?
O31 C75 C61 128.4(8) . . ?
C61 C75 C23 119.5(8) . . ?
C31 C77 C55 122.7(8) . . ?
C31 C77 H77 118.7 . . ?
C55 C77 H77 118.7 . . ?
F50 C79 F52 110.4(8) . . ?
F50 C79 F54 106.6(8) . . ?
F50 C79 C143 114.2(8) . . ?
F52 C79 F54 103.0(8) . . ?
F52 C79 C143 109.4(8) . . ?
F54 C79 C143 112.6(8) . . ?
F54A C79 C143 99(2) . . ?
F54A C79 F50A 132(3) . . ?
F52A C79 C143 123(2) . . ?
F52A C79 F54A 98(3) . . ?
F52A C79 F50A 98(3) . . ?
F50A C79 C143 108.2(18) . . ?
F68 C81 F70 105.5(11) . . ?
F68 C81 F72 111.7(12) . . ?
F68 C81 C147 113.4(11) . . ?
F70 C81 C147 109.6(10) . . ?
F72 C81 F70 107.1(11) . . ?
F72 C81 C147 109.2(12) . . ?
F80 C83 F82 108.3(7) . . ?
F80 C83 C39 111.5(7) . . ?
F82 C83 C39 108.9(7) . . ?
F84 C83 F80 108.1(7) . . ?
F84 C83 F82 107.4(8) . . ?
F84 C83 C39 112.5(7) . . ?
F92 C85 F94 111.3(10) . . ?
F92 C85 F96 114.1(10) . . ?
F92 C85 C101 109.0(9) . . ?
F94 C85 C101 109.5(9) . . ?
F96 C85 F94 102.5(9) . . ?
F96 C85 C101 110.3(9) . . ?
F94A C85 C101 108.1(13) . . ?
F94A C85 F92A 100.8(14) . . ?
F94A C85 F96A 116.4(15) . . ?
F92A C85 C101 105.1(11) . . ?
F96A C85 C101 114.8(11) . . ?
F96A C85 F92A 110.2(14) . . ?
F104 C87 C55 108.9(8) . . ?
F106 C87 F104 104.7(9) . . ?
F106 C87 C55 109.1(10) . . ?
F108 C87 F104 110.6(9) . . ?
F108 C87 F106 114.0(11) . . ?
F108 C87 C55 109.3(8) . . ?
F113 C87 C55 112.7(9) . . ?
F1C C87 C55 115.1(15) . . ?
F1C C87 F113 97.6(16) . . ?
F1D C87 C55 119.0(11) . . ?
F1D C87 F113 102.3(12) . . ?
F1D C87 F1C 107.3(15) . . ?
F29 C89 C93 111.6(7) . . ?
F57 C89 F29 105.3(8) . . ?
F57 C89 F59 108.8(7) . . ?
F57 C89 C93 114.4(7) . . ?
F59 C89 F29 104.6(7) . . ?
F59 C89 C93 111.5(7) . . ?
F2 C91 F63 110.7(11) . . ?
F2 C91 F65 106.9(10) . . ?
F2 C91 C149 111.5(9) . . ?
F63 C91 F65 102.6(10) . . ?
F63 C91 C149 113.0(9) . . ?
F65 C91 C149 111.7(9) . . ?
F63A C91 C149 108.9(10) . . ?
F65A C91 C149 116.6(12) . . ?
F65A C91 F63A 104.2(16) . . ?
F65A C91 F2A 113.5(16) . . ?
F2A C91 C149 116.5(12) . . ?
F2A C91 F63A 93.5(14) . . ?
O13 C93 C37 127.9(8) . . ?
O13 C93 C89 113.3(7) . . ?
C37 C93 C89 118.7(8) . . ?
N11 C95 H95 117.8 . . ?
C135 C95 N11 124.5(8) . . ?
C135 C95 H95 117.8 . . ?
F56 C97 C9 114.5(8) . . ?
F58 C97 F56 105.0(8) . . ?
F58 C97 C9 112.1(7) . . ?
F60 C97 F56 109.4(9) . . ?
F60 C97 F58 104.0(9) . . ?
F60 C97 C9 111.2(8) . . ?
N7 C99 C65 124.1(8) . . ?
N7 C99 H99 117.9 . . ?
C65 C99 H99 117.9 . . ?
O39 C101 C85 111.3(8) . . ?
O39 C101 C145 127.2(9) . . ?
C145 C101 C85 121.6(9) . . ?
F47 C103 C31 114.1(7) . . ?
F93 C103 F47 103.2(8) . . ?
F93 C103 C31 109.5(8) . . ?
F95 C103 F47 102.1(8) . . ?
F95 C103 F93 112.5(8) . . ?
F95 C103 C31 114.8(7) . . ?
F47A C103 C31 117.1(12) . . ?
F47A C103 F93A 107.0(15) . . ?
F47A C103 F95A 114.8(16) . . ?
F93A C103 C31 106.8(10) . . ?
F95A C103 C31 112.7(12) . . ?
F95A C103 F93A 95.6(16) . . ?
C33 C105 H10A 109.5 . . ?
C33 C105 H10B 109.5 . . ?
C33 C105 H10C 109.5 . . ?
H10A C105 H10B 109.5 . . ?
H10A C105 H10C 109.5 . . ?
H10B C105 H10C 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C157 C107 H10D 109.5 . . ?
C157 C107 H10E 109.5 . . ?
C157 C107 H10F 109.5 . . ?
O29 C109 C11 112.7(7) . . ?
O29 C109 C151 128.1(8) . . ?
C151 C109 C11 119.3(7) . . ?
C2 C111 H111 120.4 . . ?
C2 C111 C127 119.2(8) . . ?
C127 C111 H111 120.4 . . ?
N3 C113 C33 99.6(6) . . ?
N3 C113 C57 105.6(7) . . ?
N3 C113 C67 110.3(6) . . ?
C57 C113 C33 114.3(7) . . ?
C67 C113 C33 115.7(7) . . ?
C67 C113 C57 110.3(7) . . ?
C17 C115 H115 120.0 . . ?
C135 C115 C17 120.1(10) . . ?
C135 C115 H115 120.0 . . ?
N2 C117 N9 108.1(6) . . ?
N2 C117 C69 127.1(7) . . ?
N9 C117 C69 124.8(6) . . ?
C9 C119 H119 119.3 . . ?
C143 C119 C9 121.5(8) . . ?
C143 C119 H119 119.3 . . ?
O27 C121 C37 128.1(8) . . ?
O27 C121 C45 112.3(7) . . ?
C37 C121 C45 119.6(8) . . ?
O7 C123 C51 114.7(7) . . ?
O7 C123 C151 128.6(8) . . ?
C151 C123 C51 116.7(7) . . ?
C39 C125 H125 117.9 . . ?
C39 C125 C155 124.2(8) . . ?
C155 C125 H125 117.9 . . ?
C3 C127 C111 119.4(8) . . ?
C3 C127 H127 120.3 . . ?
C111 C127 H127 120.3 . . ?
C7 C129 H129 119.9 . . ?
C13 C129 C7 120.3(8) . . ?
C13 C129 H129 119.9 . . ?
N3 C131 C7 124.7(7) . . ?
N13 C131 N3 107.4(7) . . ?
N13 C131 C7 127.9(7) . . ?
C33 C133 H13A 109.5 . . ?
C33 C133 H13B 109.5 . . ?
C33 C133 H13C 109.5 . . ?
H13A C133 H13B 109.5 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
C95 C135 C115 116.6(9) . . ?
C95 C135 H135 121.7 . . ?
C115 C135 H135 121.7 . . ?
N5 C137 C29 122.4(7) . . ?
N5 C137 C53 115.3(7) . . ?
C29 C137 C53 122.3(7) . . ?
N5 C139 C25 124.8(7) . . ?
N5 C139 H139 117.6 . . ?
C25 C139 H139 117.6 . . ?
H14A C141 H14B 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C157 C141 H14A 109.5 . . ?
C157 C141 H14B 109.5 . . ?
C157 C141 H14C 109.5 . . ?
O5 C143 C79 114.3(7) . . ?
O5 C143 C119 127.4(8) . . ?
C119 C143 C79 118.3(8) . . ?
C15 C145 C101 122.9(9) . . ?
C15 C145 H145 118.6 . . ?
C101 C145 H145 118.6 . . ?
O43 C147 C27 126.2(9) . . ?
O43 C147 C81 111.8(9) . . ?
O43 C147 C81A 115.4(10) . . ?
C27 C147 C81 121.9(9) . . ?
C27 C147 C81A 118.0(10) . . ?
O15 C149 C61 127.0(8) . . ?
O15 C149 C91 114.4(7) . . ?
C61 C149 C91 118.6(8) . . ?
C109 C151 C123 121.7(8) . . ?
C109 C151 H151 119.1 . . ?
C123 C151 H151 119.1 . . ?
O35 C153 C21 115.3(7) . . ?
O35 C153 C49 126.1(8) . . ?
C49 C153 C21 118.6(8) . . ?
O2 C155 C47 116.6(8) . . ?
O2 C155 C125 126.9(8) . . ?
C125 C155 C47 116.5(8) . . ?
N2 C157 C35 99.8(5) . . ?
N2 C157 C141 110.0(6) . . ?
C107 C157 N2 105.3(6) . . ?
C107 C157 C35 114.9(6) . . ?
C107 C157 C141 111.5(7) . . ?
C141 C157 C35 114.3(7) . . ?
C64 F21A F43A 47.8(8) . . ?
C64 F43A F21A 50.2(8) . . ?
F68A C81A C147 109.5(14) . . ?
F68A C81A F72A 101.4(15) . . ?
F70A C81A C147 109.9(13) . . ?
F70A C81A F68A 107.2(16) . . ?
F70A C81A F72A 114.6(17) . . ?
F72A C81A C147 113.7(16) . . ?

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
Gd1 O1 N1 C62 92.0(8) . . . . ?
Gd1 O1 N1 C68 -98.1(7) . . . . ?
Gd1 O6 N10 C38 84.2(8) . . . . ?
Gd1 O6 N10 C154 -106.0(7) . . . . ?
Gd1 O22 C140 C32 153.6(5) . . . . ?
Gd1 O22 C140 C142 -24.3(11) . . . . ?
Gd1 O24 C144 C12 -164.2(4) . . . . ?
Gd1 O24 C144 C142 14.1(11) . . . . ?
Gd1 O26 C138 C24 153.8(5) . . . . ?
Gd1 O26 C138 C136 -23.1(11) . . . . ?
Gd1 O28 C134 C14 -160.3(4) . . . . ?
Gd1 O28 C134 C136 19.9(12) . . . . ?
Gd1 O30 C150 C16 -177.7(4) . . . . ?
Gd1 O30 C150 C148 3.2(12) . . . . ?
Gd1 O32 C146 C18 178.8(4) . . . . ?
Gd1 O32 C146 C148 -3.9(12) . . . . ?
Gd4 O34 C108 C6 176.7(5) . . . . ?
Gd4 O34 C108 C106 -3.0(14) . . . . ?
Gd4 O36 C104 C4 171.9(5) . . . . ?
Gd4 O36 C104 C106 -5.0(13) . . . . ?
Gd4 O38 C102 C34 166.8(5) . . . . ?
Gd4 O38 C102 C100 -17.0(14) . . . . ?
Gd4 O40 C98 C36 -170.5(5) . . . . ?
Gd4 O40 C98 C100 10.7(16) . . . . ?
Gd4 O42 C110 C10 165.6(5) . . . . ?
Gd4 O42 C110 C112 -11.2(14) . . . . ?
Gd4 O44 C114 C8 -174.1(5) . . . . ?
Gd4 O44 C114 C112 1.7(15) . . . . ?
Gd4 N6 C52 C50 10.0(9) . . . . ?
Gd4 N6 C52 C54 -171.6(5) . . . . ?
Gd4 N6 C60 C58 171.8(6) . . . . ?
Gd4 N8 C1 C40 -173.7(6) . . . . ?
Gd4 N8 C50 C48 175.1(6) . . . . ?
Gd4 N8 C50 C52 -5.7(9) . . . . ?
Gd6 O10 C120 C22 -176.5(5) . . . . ?
Gd6 O10 C120 C118 7.6(14) . . . . ?
Gd6 O12 C116 C26 177.5(5) . . . . ?
Gd6 O12 C116 C118 -6.0(15) . . . . ?
Gd6 O14 C126 C30 -164.5(5) . . . . ?
Gd6 O14 C126 C124 19.2(15) . . . . ?
Gd6 O16 C122 C64 174.9(5) . . . . ?
Gd6 O16 C122 C124 -3.3(17) . . . . ?
Gd6 O18 C128 C28 -163.8(6) . . . . ?
Gd6 O18 C128 C130 14.3(16) . . . . ?
Gd6 O20 C132 C20 169.8(5) . . . . ?
Gd6 O20 C132 C130 -14.1(15) . . . . ?
Gd6 N14 C78 C80 177.8(7) . . . . ?
Gd6 N14 C86 C84 -176.6(6) . . . . ?
Gd6 N14 C86 C88 -2.8(10) . . . . ?
Gd6 N16 C88 C86 13.9(9) . . . . ?
Gd6 N16 C88 C90 -167.0(5) . . . . ?
Gd6 N16 C96 C94 168.7(6) . . . . ?
F1 C4 C104 O36 178.7(6) . . . . ?
F1 C4 C104 C106 -4.2(10) . . . . ?
F3 C32 C140 O22 143.1(9) . . . . ?
F3 C32 C140 C142 -38.9(11) . . . . ?
F4 C4 C104 O36 59.1(8) . . . . ?
F4 C4 C104 C106 -123.8(7) . . . . ?
F5 C24 C138 O26 27.6(10) . . . . ?
F5 C24 C138 C136 -155.3(8) . . . . ?
F6 C4 C104 O36 -58.6(9) . . . . ?
F6 C4 C104 C106 118.4(8) . . . . ?
F8 C6 C108 O34 -91.3(9) . . . . ?
F8 C6 C108 C106 88.4(9) . . . . ?
F9 C20 C132 O20 66.9(11) . . . . ?
F9 C20 C132 C130 -109.4(10) . . . . ?
F10 C6 C108 O34 151.4(7) . . . . ?
F10 C6 C108 C106 -28.9(11) . . . . ?
F11 C28 C128 O18 -52.3(13) . . . . ?
F11 C28 C128 C130 129.3(11) . . . . ?
F12 C6 C108 O34 29.1(10) . . . . ?
F12 C6 C108 C106 -151.2(8) . . . . ?
F13 C36 C98 O40 -106.5(10) . . . . ?
F13 C36 C98 C100 72.4(12) . . . . ?
F14 C8 C114 O44 61.1(11) . . . . ?
F14 C8 C114 C112 -115.1(10) . . . . ?
F16 C8 C114 O44 -55.3(11) . . . . ?
F16 C8 C114 C112 128.5(10) . . . . ?
F18 C8 C114 O44 179.1(11) . . . . ?
F18 C8 C114 C112 2.9(14) . . . . ?
F19 C22 C120 O10 -174.6(8) . . . . ?
F19 C22 C120 C118 1.5(13) . . . . ?
F20 C10 C110 O42 179.0(8) . . . . ?
F20 C10 C110 C112 -3.9(12) . . . . ?
F21 C64 C122 O16 -40.8(14) . . . . ?
F21 C64 C122 C124 137.6(12) . . . . ?
F22 C10 C110 O42 58.0(10) . . . . ?
F22 C10 C110 C112 -125.0(9) . . . . ?
F23 C30 C126 O14 -71.4(11) . . . . ?
F23 C30 C126 C124 105.2(10) . . . . ?
F24 C10 C110 O42 -58.7(10) . . . . ?
F24 C10 C110 C112 118.3(9) . . . . ?
F25 C34 C102 O38 -144.6(11) . . . . ?
F25 C34 C102 C100 39.0(14) . . . . ?
F26 C12 C144 O24 -153.3(7) . . . . ?
F26 C12 C144 C142 28.4(10) . . . . ?
F28 C12 C144 O24 84.7(9) . . . . ?
F28 C12 C144 C142 -93.7(9) . . . . ?
F30 C12 C144 O24 -35.0(9) . . . . ?
F30 C12 C144 C142 146.7(8) . . . . ?
F32 C14 C134 O28 88.7(9) . . . . ?
F32 C14 C134 C136 -91.5(9) . . . . ?
F34 C14 C134 O28 -31.8(9) . . . . ?
F34 C14 C134 C136 148.0(8) . . . . ?
F36 C14 C134 O28 -152.8(7) . . . . ?
F36 C14 C134 C136 27.0(10) . . . . ?
F37 C20 C132 O20 -173.0(8) . . . . ?
F37 C20 C132 C130 10.7(13) . . . . ?
F38 C16 C150 O30 51.5(9) . . . . ?
F38 C16 C150 C148 -129.3(7) . . . . ?
F39 C24 C138 O26 -87.7(9) . . . . ?
F39 C24 C138 C136 89.4(10) . . . . ?
F40 C16 C150 O30 -65.8(8) . . . . ?
F40 C16 C150 C148 113.4(8) . . . . ?
F41 C26 C116 O12 -55.3(11) . . . . ?
F41 C26 C116 C118 127.8(11) . . . . ?
F42 C16 C150 O30 173.4(6) . . . . ?
F42 C16 C150 C148 -7.4(10) . . . . ?
F43 C64 C122 O16 84.1(13) . . . . ?
F43 C64 C122 C124 -97.5(13) . . . . ?
F44 C18 C146 O32 172.5(8) . . . . ?
F44 C18 C146 C148 -5.2(12) . . . . ?
F45 C30 C126 O14 167.4(9) . . . . ?
F45 C30 C126 C124 -15.9(13) . . . . ?
F46 C18 C146 O32 45.8(10) . . . . ?
F46 C18 C146 C148 -131.8(9) . . . . ?
F48 C18 C146 O32 -65.4(9) . . . . ?
F48 C18 C146 C148 117.0(9) . . . . ?
F49 C32 C140 O22 -90.1(9) . . . . ?
F49 C32 C140 C142 88.0(10) . . . . ?
F51 C36 C98 O40 132.1(11) . . . . ?
F51 C36 C98 C100 -49.0(14) . . . . ?
F73 C20 C132 O20 -51.6(11) . . . . ?
F73 C20 C132 C130 132.0(10) . . . . ?
F75 C22 C120 O10 -53.3(10) . . . . ?
F75 C22 C120 C118 122.8(9) . . . . ?
F77 C22 C120 O10 65.4(11) . . . . ?
F77 C22 C120 C118 -118.6(10) . . . . ?
F79 C24 C138 O26 147.0(9) . . . . ?
F79 C24 C138 C136 -35.8(11) . . . . ?
F81 C26 C116 O12 54.0(12) . . . . ?
F81 C26 C116 C118 -122.8(11) . . . . ?
F83 C26 C116 O12 -174.1(10) . . . . ?
F83 C26 C116 C118 9.0(14) . . . . ?
F85 C64 C122 O16 -160.6(10) . . . . ?
F85 C64 C122 C124 17.8(13) . . . . ?
F87 C28 C128 O18 57.8(12) . . . . ?
F87 C28 C128 C130 -120.5(11) . . . . ?
F89 C28 C128 O18 -178.7(11) . . . . ?
F89 C28 C128 C130 2.9(15) . . . . ?
F91 C30 C126 O14 45.6(11) . . . . ?
F91 C30 C126 C124 -137.7(10) . . . . ?
F97 C32 C140 O22 28.2(10) . . . . ?
F97 C32 C140 C142 -153.7(9) . . . . ?
F99 C34 C102 O38 -12.5(12) . . . . ?
F99 C34 C102 C100 171.0(10) . . . . ?
F101 C34 C102 O38 97.0(10) . . . . ?
F101 C34 C102 C100 -79.5(12) . . . . ?
F103 C36 C98 O40 4.8(13) . . . . ?
F103 C36 C98 C100 -176.3(11) . . . . ?
O1 N1 C62 N4 177.9(6) . . . . ?
O1 N1 C62 C56 -3.3(11) . . . . ?
O1 N1 C68 C66 165.8(5) . . . . ?
O1 N1 C68 C70 44.9(8) . . . . ?
O1 N1 C68 C72 -76.5(7) . . . . ?
O4 N4 C62 N1 -173.3(6) . . . . ?
O4 N4 C62 C56 7.9(11) . . . . ?
O4 N4 C66 C68 160.0(6) . . . . ?
O4 N4 C66 C74 -82.9(7) . . . . ?
O4 N4 C66 C76 37.5(9) . . . . ?
O6 N10 C38 N12 -178.8(6) . . . . ?
O6 N10 C38 C92 2.7(12) . . . . ?
O6 N10 C154 C42 166.6(6) . . . . ?
O6 N10 C154 C46 -75.6(8) . . . . ?
O6 N10 C154 C152 44.1(9) . . . . ?
O8 N12 C38 N10 -179.3(7) . . . . ?
O8 N12 C38 C92 -0.8(12) . . . . ?
O8 N12 C42 C154 165.9(7) . . . . ?
O8 N12 C42 C156 44.6(10) . . . . ?
O8 N12 C42 C158 -76.5(9) . . . . ?
O12 C116 C118 C120 -5.4(16) . . . . ?
O16 C122 C124 C126 -10.5(18) . . . . ?
O18 C128 C130 C132 4.4(17) . . . . ?
O22 C140 C142 C144 4.2(13) . . . . ?
O28 C134 C136 C138 -0.6(13) . . . . ?
O32 C146 C148 C150 -0.4(13) . . . . ?
O36 C104 C106 C108 2.8(13) . . . . ?
O40 C98 C100 C102 4.6(17) . . . . ?
O42 C110 C112 C114 3.0(15) . . . . ?
N4 C66 C68 N1 26.7(6) . . . . ?
N4 C66 C68 C70 145.6(6) . . . . ?
N4 C66 C68 C72 -84.3(7) . . . . ?
N6 C52 C54 C56 -0.7(11) . . . . ?
N8 C1 C40 C44 -2.6(13) . . . . ?
N8 C50 C52 N6 -2.8(10) . . . . ?
N8 C50 C52 C54 178.9(7) . . . . ?
N10 C38 C92 C90 29.3(12) . . . . ?
N10 C38 C92 C94 -150.6(8) . . . . ?
N12 C38 C92 C90 -149.0(8) . . . . ?
N12 C38 C92 C94 31.1(12) . . . . ?
N12 C42 C154 N10 23.2(7) . . . . ?
N12 C42 C154 C46 -88.2(7) . . . . ?
N12 C42 C154 C152 141.9(7) . . . . ?
N14 C78 C80 C82 1.1(15) . . . . ?
N14 C86 C88 N16 -7.1(10) . . . . ?
N14 C86 C88 C90 173.8(7) . . . . ?
N16 C88 C90 C92 -1.7(12) . . . . ?
C1 N8 C50 C48 -0.9(11) . . . . ?
C1 N8 C50 C52 178.4(7) . . . . ?
C1 C40 C44 C48 1.5(12) . . . . ?
C4 C104 C106 C108 -173.8(7) . . . . ?
C10 C110 C112 C114 -173.6(8) . . . . ?
C14 C134 C136 C138 179.6(7) . . . . ?
C18 C146 C148 C150 176.8(7) . . . . ?
C26 C116 C118 C120 170.9(8) . . . . ?
C28 C128 C130 C132 -177.5(9) . . . . ?
C32 C140 C142 C144 -173.6(7) . . . . ?
C36 C98 C100 C102 -174.1(9) . . . . ?
C38 N10 C154 C42 -22.5(8) . . . . ?
C38 N10 C154 C46 95.3(8) . . . . ?
C38 N10 C154 C152 -145.0(7) . . . . ?
C38 N12 C42 C154 -19.9(8) . . . . ?
C38 N12 C42 C156 -141.2(7) . . . . ?
C38 N12 C42 C158 97.7(8) . . . . ?
C38 C92 C94 C96 -176.0(7) . . . . ?
C40 C44 C48 C50 -0.2(12) . . . . ?
C42 N12 C38 N10 6.6(9) . . . . ?
C42 N12 C38 C92 -174.9(7) . . . . ?
C44 C48 C50 N8 -0.1(12) . . . . ?
C44 C48 C50 C52 -179.3(7) . . . . ?
C48 C50 C52 N6 176.5(7) . . . . ?
C48 C50 C52 C54 -1.8(12) . . . . ?
C50 N8 C1 C40 2.4(12) . . . . ?
C50 C52 C54 C56 177.5(7) . . . . ?
C52 N6 C60 C58 -1.5(11) . . . . ?
C52 C54 C56 C58 -0.3(10) . . . . ?
C52 C54 C56 C62 -179.5(7) . . . . ?
C54 C56 C58 C60 0.4(10) . . . . ?
C54 C56 C62 N1 27.8(11) . . . . ?
C54 C56 C62 N4 -153.7(7) . . . . ?
C56 C58 C60 N6 0.5(11) . . . . ?
C58 C56 C62 N1 -151.3(7) . . . . ?
C58 C56 C62 N4 27.2(10) . . . . ?
C60 N6 C52 C50 -176.8(7) . . . . ?
C60 N6 C52 C54 1.5(11) . . . . ?
C62 N1 C68 C66 -22.9(7) . . . . ?
C62 N1 C68 C70 -143.9(6) . . . . ?
C62 N1 C68 C72 94.8(7) . . . . ?
C62 N4 C66 C68 -26.0(7) . . . . ?
C62 N4 C66 C74 91.1(6) . . . . ?
C62 N4 C66 C76 -148.4(6) . . . . ?
C62 C56 C58 C60 179.6(6) . . . . ?
C64 C122 C124 C126 171.3(9) . . . . ?
C66 N4 C62 N1 12.9(8) . . . . ?
C66 N4 C62 C56 -165.9(6) . . . . ?
C68 N1 C62 N4 7.3(8) . . . . ?
C68 N1 C62 C56 -173.9(6) . . . . ?
C74 C66 C68 N1 -84.2(6) . . . . ?
C74 C66 C68 C70 34.7(8) . . . . ?
C74 C66 C68 C72 164.8(6) . . . . ?
C76 C66 C68 N1 145.5(6) . . . . ?
C76 C66 C68 C70 -95.6(8) . . . . ?
C76 C66 C68 C72 34.5(8) . . . . ?
C78 N14 C86 C84 3.2(12) . . . . ?
C78 N14 C86 C88 177.1(7) . . . . ?
C78 C80 C82 C84 -1.3(14) . . . . ?
C80 C82 C84 C86 2.4(13) . . . . ?
C82 C84 C86 N14 -3.5(13) . . . . ?
C82 C84 C86 C88 -177.0(8) . . . . ?
C84 C86 C88 N16 166.8(8) . . . . ?
C84 C86 C88 C90 -12.3(12) . . . . ?
C86 N14 C78 C80 -2.1(13) . . . . ?
C86 C88 C90 C92 177.3(7) . . . . ?
C88 N16 C96 C94 -2.9(12) . . . . ?
C88 C90 C92 C38 177.5(7) . . . . ?
C88 C90 C92 C94 -2.6(11) . . . . ?
C90 C92 C94 C96 4.1(11) . . . . ?
C92 C94 C96 N16 -1.3(12) . . . . ?
C96 N16 C88 C86 -174.6(7) . . . . ?
C96 N16 C88 C90 4.4(11) . . . . ?
C98 C100 C102 O38 -1.2(16) . . . . ?
C98 C100 C102 C34 174.7(9) . . . . ?
C104 C106 C108 O34 1.0(14) . . . . ?
C104 C106 C108 C6 -178.6(7) . . . . ?
C110 C112 C114 O44 1.8(15) . . . . ?
C110 C112 C114 C8 177.4(8) . . . . ?
C116 C118 C120 O10 4.6(15) . . . . ?
C116 C118 C120 C22 -170.9(8) . . . . ?
C122 C64 F21A F43A 112.7(11) . . . . ?
C122 C64 F43A F21A -106.4(12) . . . . ?
C122 C124 C126 O14 1.8(17) . . . . ?
C122 C124 C126 C30 -174.2(9) . . . . ?
C128 C130 C132 O20 -4.5(17) . . . . ?
C128 C130 C132 C20 171.3(9) . . . . ?
C134 C136 C138 O26 1.8(13) . . . . ?
C134 C136 C138 C24 -175.0(7) . . . . ?
C140 C142 C144 O24 1.0(13) . . . . ?
C140 C142 C144 C12 179.1(7) . . . . ?
C146 C148 C150 O30 0.8(13) . . . . ?
C146 C148 C150 C16 -178.2(7) . . . . ?
C154 N10 C38 N12 10.6(9) . . . . ?
C154 N10 C38 C92 -167.8(7) . . . . ?
C156 C42 C154 N10 140.2(7) . . . . ?
C156 C42 C154 C46 28.8(10) . . . . ?
C156 C42 C154 C152 -101.1(8) . . . . ?
C158 C42 C154 N10 -88.7(7) . . . . ?
C158 C42 C154 C46 160.0(7) . . . . ?
C158 C42 C154 C152 30.1(9) . . . . ?
Gd2 O2 C155 C47 -171.7(5) . . . . ?
Gd2 O2 C155 C125 7.3(14) . . . . ?
Gd2 O3 N2 C117 -91.4(8) . . . . ?
Gd2 O3 N2 C157 100.3(7) . . . . ?
Gd2 O9 C31 C77 16.8(13) . . . . ?
Gd2 O9 C31 C103 -165.0(5) . . . . ?
Gd2 O11 N13 C33 98.1(8) . . . . ?
Gd2 O11 N13 C131 -90.8(8) . . . . ?
Gd2 O17 C19 C43 162.1(5) . . . . ?
Gd2 O17 C19 C49 -17.4(13) . . . . ?
Gd2 O33 C39 C83 169.0(5) . . . . ?
Gd2 O33 C39 C125 -12.1(14) . . . . ?
Gd2 O35 C153 C21 -164.3(5) . . . . ?
Gd2 O35 C153 C49 15.0(13) . . . . ?
Gd2 O37 C55 C77 -14.9(12) . . . . ?
Gd2 O37 C55 C87 164.8(5) . . . . ?
Gd3 O7 C123 C51 178.0(5) . . . . ?
Gd3 O7 C123 C151 -3.2(14) . . . . ?
Gd3 O13 C93 C37 8.1(14) . . . . ?
Gd3 O13 C93 C89 -175.0(5) . . . . ?
Gd3 O15 C149 C61 -9.7(14) . . . . ?
Gd3 O15 C149 C91 169.6(5) . . . . ?
Gd3 O27 C121 C37 6.5(15) . . . . ?
Gd3 O27 C121 C45 -172.4(5) . . . . ?
Gd3 O29 C109 C11 -167.1(5) . . . . ?
Gd3 O29 C109 C151 14.5(14) . . . . ?
Gd3 O31 C75 C23 -169.0(5) . . . . ?
Gd3 O31 C75 C61 10.4(15) . . . . ?
Gd3 N5 C137 C29 172.0(6) . . . . ?
Gd3 N5 C137 C53 -8.7(9) . . . . ?
Gd3 N5 C139 C25 -170.5(6) . . . . ?
Gd3 N11 C53 C17 -155.2(7) . . . . ?
Gd3 N11 C53 C137 13.1(10) . . . . ?
Gd3 N11 C95 C135 166.9(8) . . . . ?
Gd5 O5 C143 C79 157.8(5) . . . . ?
Gd5 O5 C143 C119 -23.2(14) . . . . ?
Gd5 O19 C15 C41 163.2(6) . . . . ?
Gd5 O19 C15 C145 -16.0(16) . . . . ?
Gd5 O21 C73 C5 -164.0(6) . . . . ?
Gd5 O21 C73 C27 15.1(16) . . . . ?
Gd5 O39 C101 C85 -165.8(5) . . . . ?
Gd5 O39 C101 C145 14.1(16) . . . . ?
Gd5 O41 C9 C97 -174.8(5) . . . . ?
Gd5 O41 C9 C119 6.8(15) . . . . ?
Gd5 O43 C147 C27 -8.8(15) . . . . ?
Gd5 O43 C147 C81 174.0(7) . . . . ?
Gd5 O43 C147 C81A 164.2(8) . . . . ?
Gd5 N7 C13 C2 -5.6(9) . . . . ?
Gd5 N7 C13 C129 174.4(6) . . . . ?
Gd5 N7 C99 C65 -175.1(6) . . . . ?
Gd5 N15 C2 C13 -7.0(9) . . . . ?
Gd5 N15 C2 C111 170.4(6) . . . . ?
Gd5 N15 C63 C3 -170.9(7) . . . . ?
F2 C91 C149 O15 -95.8(13) . . . . ?
F2 C91 C149 C61 83.5(13) . . . . ?
F7 C11 C109 O29 -61.6(10) . . . . ?
F7 C11 C109 C151 117.0(9) . . . . ?
F15 C45 C121 O27 -73.4(10) . . . . ?
F15 C45 C121 C37 107.6(9) . . . . ?
F17 C23 C75 O31 -177.2(8) . . . . ?
F17 C23 C75 C61 3.4(12) . . . . ?
F27 C11 C109 O29 175.2(8) . . . . ?
F27 C11 C109 C151 -6.2(12) . . . . ?
F29 C89 C93 O13 47.7(10) . . . . ?
F29 C89 C93 C37 -135.1(8) . . . . ?
F31 C45 C121 O27 46.3(11) . . . . ?
F31 C45 C121 C37 -132.7(9) . . . . ?
F33 C23 C75 O31 60.2(12) . . . . ?
F33 C23 C75 C61 -119.2(11) . . . . ?
F35 C51 C123 O7 21.8(12) . . . . ?
F35 C51 C123 C151 -157.2(9) . . . . ?
F50 C79 C143 O5 -162.5(9) . . . . ?
F50 C79 C143 C119 18.4(13) . . . . ?
F52 C79 C143 O5 73.2(11) . . . . ?
F52 C79 C143 C119 -105.9(10) . . . . ?
F53 C47 C155 O2 -158.3(10) . . . . ?
F53 C47 C155 C125 22.6(13) . . . . ?
F54 C79 C143 O5 -40.7(12) . . . . ?
F54 C79 C143 C119 140.2(10) . . . . ?
F55 C11 C109 O29 55.0(10) . . . . ?
F55 C11 C109 C151 -126.4(9) . . . . ?
F57 C89 C93 O13 167.1(8) . . . . ?
F57 C89 C93 C37 -15.6(12) . . . . ?
F59 C89 C93 O13 -68.9(10) . . . . ?
F59 C89 C93 C37 108.3(9) . . . . ?
F61 C45 C121 O27 168.1(9) . . . . ?
F61 C45 C121 C37 -10.9(13) . . . . ?
F62 C5 C73 O21 -99.3(12) . . . . ?
F62 C5 C73 C27 81.5(13) . . . . ?
F63 C91 C149 O15 29.5(13) . . . . ?
F63 C91 C149 C61 -151.2(11) . . . . ?
F64 C5 C73 O21 145.1(11) . . . . ?
F64 C5 C73 C27 -34.1(14) . . . . ?
F65 C91 C149 O15 144.6(10) . . . . ?
F65 C91 C149 C61 -36.1(13) . . . . ?
F66 C5 C73 O21 20.8(14) . . . . ?
F66 C5 C73 C27 -158.4(12) . . . . ?
F67 C23 C75 O31 -56.0(11) . . . . ?
F67 C23 C75 C61 124.5(10) . . . . ?
F68 C81 C147 O43 59.7(14) . . . . ?
F68 C81 C147 C27 -117.6(14) . . . . ?
F69 C51 C123 O7 146.6(10) . . . . ?
F69 C51 C123 C151 -32.4(12) . . . . ?
F70 C81 C147 O43 -58.0(13) . . . . ?
F70 C81 C147 C27 124.7(13) . . . . ?
F71 C51 C123 O7 -93.3(9) . . . . ?
F71 C51 C123 C151 87.7(10) . . . . ?
F72 C81 C147 O43 -175.1(12) . . . . ?
F72 C81 C147 C27 7.6(17) . . . . ?
F86 C21 C153 O35 158.9(8) . . . . ?
F86 C21 C153 C49 -20.5(11) . . . . ?
F88 C21 C153 O35 42.3(11) . . . . ?
F88 C21 C153 C49 -137.1(10) . . . . ?
F90 C21 C153 O35 -79.4(11) . . . . ?
F90 C21 C153 C49 101.2(11) . . . . ?
F92 C85 C101 O39 -76.3(11) . . . . ?
F92 C85 C101 C145 103.8(12) . . . . ?
F94 C85 C101 O39 161.7(10) . . . . ?
F94 C85 C101 C145 -18.2(14) . . . . ?
F96 C85 C101 O39 49.6(12) . . . . ?
F96 C85 C101 C145 -130.2(11) . . . . ?
F105 C47 C155 O2 -36.6(12) . . . . ?
F105 C47 C155 C125 144.2(9) . . . . ?
F107 C47 C155 O2 80.1(10) . . . . ?
F107 C47 C155 C125 -99.0(10) . . . . ?
O3 N2 C117 N9 179.1(6) . . . . ?
O3 N2 C117 C69 -4.2(12) . . . . ?
O3 N2 C157 C35 -165.8(6) . . . . ?
O3 N2 C157 C107 74.9(8) . . . . ?
O3 N2 C157 C141 -45.3(9) . . . . ?
O7 C123 C151 C109 -7.3(15) . . . . ?
O9 C31 C77 C55 0.4(14) . . . . ?
O9 C31 C103 F47 -11.7(10) . . . . ?
O9 C31 C103 F93 103.3(9) . . . . ?
O9 C31 C103 F95 -129.1(9) . . . . ?
O9 C31 C103 F47A 59.0(16) . . . . ?
O9 C31 C103 F93A 178.8(12) . . . . ?
O9 C31 C103 F95A -77.5(16) . . . . ?
O11 N13 C33 C105 81.0(8) . . . . ?
O11 N13 C33 C113 -160.1(6) . . . . ?
O11 N13 C33 C133 -39.2(9) . . . . ?
O11 N13 C131 N3 176.5(6) . . . . ?
O11 N13 C131 C7 -5.8(13) . . . . ?
O17 C19 C43 F98 33.1(12) . . . . ?
O17 C19 C43 F100 -91.4(11) . . . . ?
O17 C19 C43 F102 150.1(9) . . . . ?
O17 C19 C43 F98A 57.1(14) . . . . ?
O17 C19 C43 F112 -49.9(13) . . . . ?
O17 C19 C43 F1B -166.4(14) . . . . ?
O17 C19 C49 C153 0.9(14) . . . . ?
O19 C15 C41 F74 55.7(12) . . . . ?
O19 C15 C41 F76 -57.8(12) . . . . ?
O19 C15 C41 F78 -178.3(10) . . . . ?
O19 C15 C41 F76A -141.3(16) . . . . ?
O19 C15 C41 F78A 116.8(14) . . . . ?
O19 C15 C41 F74A 13(2) . . . . ?
O19 C15 C145 C101 -2.2(17) . . . . ?
O23 N3 C113 C33 -156.8(7) . . . . ?
O23 N3 C113 C57 84.4(9) . . . . ?
O23 N3 C113 C67 -34.7(10) . . . . ?
O23 N3 C131 N13 173.4(7) . . . . ?
O23 N3 C131 C7 -4.5(13) . . . . ?
O25 N9 C35 C59 76.1(8) . . . . ?
O25 N9 C35 C71 -44.1(9) . . . . ?
O25 N9 C35 C157 -164.4(6) . . . . ?
O25 N9 C117 N2 179.2(6) . . . . ?
O25 N9 C117 C69 2.3(12) . . . . ?
O29 C109 C151 C123 1.5(15) . . . . ?
O33 C39 C83 F80 -172.6(7) . . . . ?
O33 C39 C83 F82 68.0(9) . . . . ?
O33 C39 C83 F84 -51.0(10) . . . . ?
O33 C39 C125 C155 -1.1(15) . . . . ?
O37 C55 C77 C31 -1.0(14) . . . . ?
O37 C55 C87 F104 163.4(9) . . . . ?
O37 C55 C87 F106 49.7(11) . . . . ?
O37 C55 C87 F108 -75.6(12) . . . . ?
O37 C55 C87 F113 -40.1(14) . . . . ?
O37 C55 C87 F1C 70.7(16) . . . . ?
O37 C55 C87 F1D -159.9(14) . . . . ?
O39 C101 C145 C15 3.3(17) . . . . ?
O41 C9 C97 F56 171.3(8) . . . . ?
O41 C9 C97 F58 51.9(11) . . . . ?
O41 C9 C97 F60 -64.0(11) . . . . ?
O41 C9 C119 C143 7.3(15) . . . . ?
O43 C147 C81A F68A 37.6(18) . . . . ?
O43 C147 C81A F70A -79.8(17) . . . . ?
O43 C147 C81A F72A 150.2(16) . . . . ?
N7 C13 C129 C7 0.8(12) . . . . ?
N9 C35 C157 N2 -25.0(6) . . . . ?
N9 C35 C157 C107 87.1(7) . . . . ?
N9 C35 C157 C141 -142.3(6) . . . . ?
N11 C53 C137 N5 -2.8(11) . . . . ?
N11 C53 C137 C29 176.6(8) . . . . ?
N11 C95 C135 C115 -11.2(15) . . . . ?
N13 C33 C113 N3 -29.9(7) . . . . ?
N13 C33 C113 C57 82.2(8) . . . . ?
N13 C33 C113 C67 -148.1(7) . . . . ?
N15 C2 C13 N7 8.0(10) . . . . ?
N15 C2 C13 C129 -172.0(7) . . . . ?
N15 C2 C111 C127 1.8(13) . . . . ?
C2 N15 C63 C3 1.7(13) . . . . ?
C2 C13 C129 C7 -179.2(7) . . . . ?
C2 C111 C127 C3 -1.4(13) . . . . ?
C7 C65 C99 N7 0.7(13) . . . . ?
C9 C119 C143 O5 1.1(15) . . . . ?
C9 C119 C143 C79 -179.9(8) . . . . ?
C11 C109 C151 C123 -176.9(8) . . . . ?
C13 N7 C99 C65 3.0(12) . . . . ?
C13 C2 C111 C127 179.1(8) . . . . ?
C17 C53 C137 N5 165.5(8) . . . . ?
C17 C53 C137 C29 -15.2(13) . . . . ?
C17 C115 C135 C95 11.9(15) . . . . ?
C19 C49 C153 O35 0.9(14) . . . . ?
C19 C49 C153 C21 -179.8(8) . . . . ?
C25 C69 C117 N2 152.4(8) . . . . ?
C25 C69 C117 N9 -31.3(11) . . . . ?
C27 C147 C81A F68A -148.8(15) . . . . ?
C27 C147 C81A F70A 93.8(17) . . . . ?
C27 C147 C81A F72A -36(2) . . . . ?
C29 C69 C117 N2 -29.9(12) . . . . ?
C29 C69 C117 N9 146.4(8) . . . . ?
C33 N13 C131 N3 -11.8(9) . . . . ?
C33 N13 C131 C7 165.9(7) . . . . ?
C35 N9 C117 N2 -7.3(8) . . . . ?
C35 N9 C117 C69 175.8(7) . . . . ?
C39 C125 C155 O2 3.3(16) . . . . ?
C39 C125 C155 C47 -177.6(9) . . . . ?
C41 C15 C145 C101 178.6(9) . . . . ?
C43 C19 C49 C153 -178.6(7) . . . . ?
C49 C19 C43 F98 -147.4(10) . . . . ?
C49 C19 C43 F100 88.2(11) . . . . ?
C49 C19 C43 F102 -30.4(12) . . . . ?
C49 C19 C43 F98A -123.3(13) . . . . ?
C49 C19 C43 F112 129.6(12) . . . . ?
C49 C19 C43 F1B 13.1(16) . . . . ?
C51 C123 C151 C109 171.6(8) . . . . ?
C53 N11 C95 C135 -0.8(14) . . . . ?
C53 C17 C115 C135 -1.5(15) . . . . ?
C59 C35 C157 N2 89.2(7) . . . . ?
C59 C35 C157 C107 -158.8(7) . . . . ?
C59 C35 C157 C141 -28.1(9) . . . . ?
C63 N15 C2 C13 -179.3(7) . . . . ?
C63 N15 C2 C111 -1.9(12) . . . . ?
C63 C3 C127 C111 1.1(13) . . . . ?
C65 C7 C129 C13 2.9(11) . . . . ?
C65 C7 C131 N3 -24.8(12) . . . . ?
C65 C7 C131 N13 157.8(8) . . . . ?
C69 C25 C139 N5 -1.9(12) . . . . ?
C69 C29 C137 N5 -0.8(12) . . . . ?
C69 C29 C137 C53 179.9(8) . . . . ?
C71 C35 C157 N2 -141.1(6) . . . . ?
C71 C35 C157 C107 -29.1(9) . . . . ?
C71 C35 C157 C141 101.6(8) . . . . ?
C73 C27 C147 O43 -0.7(17) . . . . ?
C73 C27 C147 C81 176.2(10) . . . . ?
C73 C27 C147 C81A -173.5(11) . . . . ?
C75 C61 C149 O15 -0.5(16) . . . . ?
C75 C61 C149 C91 -179.7(8) . . . . ?
C77 C31 C103 F47 166.7(8) . . . . ?
C77 C31 C103 F93 -78.2(10) . . . . ?
C77 C31 C103 F95 49.4(11) . . . . ?
C77 C31 C103 F47A -122.6(15) . . . . ?
C77 C31 C103 F93A -2.7(14) . . . . ?
C77 C31 C103 F95A 100.9(16) . . . . ?
C77 C55 C87 F104 -16.9(11) . . . . ?
C77 C55 C87 F106 -130.6(10) . . . . ?
C77 C55 C87 F108 104.1(11) . . . . ?
C77 C55 C87 F113 139.5(12) . . . . ?
C77 C55 C87 F1C -109.6(15) . . . . ?
C77 C55 C87 F1D 19.8(17) . . . . ?
C83 C39 C125 C155 177.7(8) . . . . ?
C85 C101 C145 C15 -176.8(9) . . . . ?
C87 C55 C77 C31 179.3(7) . . . . ?
C93 C37 C121 O27 -6.1(16) . . . . ?
C93 C37 C121 C45 172.6(8) . . . . ?
C95 N11 C53 C17 12.3(13) . . . . ?
C95 N11 C53 C137 -179.4(8) . . . . ?
C97 C9 C119 C143 -171.0(8) . . . . ?
C99 N7 C13 C2 176.3(7) . . . . ?
C99 N7 C13 C129 -3.7(11) . . . . ?
C103 C31 C77 C55 -177.8(7) . . . . ?
C105 C33 C113 N3 82.3(8) . . . . ?
C105 C33 C113 C57 -165.6(7) . . . . ?
C105 C33 C113 C67 -35.9(10) . . . . ?
C111 C2 C13 N7 -169.3(7) . . . . ?
C111 C2 C13 C129 10.7(12) . . . . ?
C113 N3 C131 N13 -10.7(9) . . . . ?
C113 N3 C131 C7 171.4(7) . . . . ?
C115 C17 C53 N11 -11.0(14) . . . . ?
C115 C17 C53 C137 -178.8(9) . . . . ?
C117 N2 C157 C35 24.4(8) . . . . ?
C117 N2 C157 C107 -94.9(7) . . . . ?
C117 N2 C157 C141 144.9(7) . . . . ?
C117 N9 C35 C59 -97.8(7) . . . . ?
C117 N9 C35 C71 142.0(7) . . . . ?
C117 N9 C35 C157 21.7(7) . . . . ?
C119 C9 C97 F56 -10.2(12) . . . . ?
C119 C9 C97 F58 -129.6(9) . . . . ?
C119 C9 C97 F60 114.5(10) . . . . ?
C121 C37 C93 O13 -1.2(15) . . . . ?
C121 C37 C93 C89 -178.0(8) . . . . ?
C125 C39 C83 F80 8.4(11) . . . . ?
C125 C39 C83 F82 -111.0(9) . . . . ?
C125 C39 C83 F84 130.1(9) . . . . ?
C127 C3 C63 N15 -1.3(14) . . . . ?
C129 C7 C65 C99 -3.6(12) . . . . ?
C129 C7 C131 N3 154.7(8) . . . . ?
C129 C7 C131 N13 -22.7(13) . . . . ?
C131 N3 C113 C33 27.1(8) . . . . ?
C131 N3 C113 C57 -91.6(8) . . . . ?
C131 N3 C113 C67 149.3(7) . . . . ?
C131 N13 C33 C105 -91.2(8) . . . . ?
C131 N13 C33 C113 27.8(8) . . . . ?
C131 N13 C33 C133 148.6(7) . . . . ?
C131 C7 C65 C99 175.9(7) . . . . ?
C131 C7 C129 C13 -176.6(7) . . . . ?
C133 C33 C113 N3 -147.5(7) . . . . ?
C133 C33 C113 C57 -35.4(10) . . . . ?
C133 C33 C113 C67 94.4(9) . . . . ?
C137 N5 C139 C25 2.2(12) . . . . ?
C137 C29 C69 C25 1.1(11) . . . . ?
C137 C29 C69 C117 -176.6(7) . . . . ?
C139 N5 C137 C29 -0.8(11) . . . . ?
C139 N5 C137 C53 178.6(7) . . . . ?
C139 C25 C69 C29 0.1(11) . . . . ?
C139 C25 C69 C117 177.9(7) . . . . ?
C145 C15 C41 F74 -125.0(11) . . . . ?
C145 C15 C41 F76 121.4(11) . . . . ?
C145 C15 C41 F78 1.0(15) . . . . ?
C145 C15 C41 F76A 38.0(18) . . . . ?
C145 C15 C41 F78A -64.0(15) . . . . ?
C145 C15 C41 F74A -167.8(18) . . . . ?
C147 C27 C73 O21 -2.6(17) . . . . ?
C147 C27 C73 C5 176.5(9) . . . . ?
C149 C61 C75 O31 0.0(16) . . . . ?
C149 C61 C75 C23 179.3(8) . . . . ?
C157 N2 C117 N9 -11.8(8) . . . . ?
C157 N2 C117 C69 165.0(7) . . . . ?
F49A C32 C140 O22 -24.7(13) . . . . ?
F49A C32 C140 C142 153.4(12) . . . . ?
F97A C32 C140 O22 98.5(11) . . . . ?
F97A C32 C140 C142 -83.4(12) . . . . ?
F3A C32 C140 O22 -143.4(11) . . . . ?
F3A C32 C140 C142 34.7(13) . . . . ?
F5A C24 C138 O26 -43.7(14) . . . . ?
F5A C24 C138 C136 133.4(13) . . . . ?
F79A C24 C138 O26 92.0(12) . . . . ?
F79A C24 C138 C136 -90.8(13) . . . . ?
F39A C24 C138 O26 -160.6(10) . . . . ?
F39A C24 C138 C136 16.5(12) . . . . ?
F11A C28 C128 O18 -121.6(13) . . . . ?
F11A C28 C128 C130 60.0(15) . . . . ?
F89A C28 C128 O18 129.8(14) . . . . ?
F89A C28 C128 C130 -48.6(16) . . . . ?
F87A C28 C128 O18 -13.6(18) . . . . ?
F87A C28 C128 C130 168.1(15) . . . . ?
F13A C36 C98 O40 -48.0(16) . . . . ?
F13A C36 C98 C100 130.9(14) . . . . ?
F109 C36 C98 O40 68.9(12) . . . . ?
F109 C36 C98 C100 -112.2(12) . . . . ?
F51A C36 C98 O40 174.8(12) . . . . ?
F51A C36 C98 C100 -6.3(15) . . . . ?
F14A C8 C114 O44 -26.1(18) . . . . ?
F14A C8 C114 C112 157.7(17) . . . . ?
F18A C8 C114 O44 109.4(19) . . . . ?
F18A C8 C114 C112 -67(2) . . . . ?
F16A C8 C114 O44 -140.0(14) . . . . ?
F16A C8 C114 C112 43.8(16) . . . . ?
F30A C12 C144 O24 40.7(19) . . . . ?
F30A C12 C144 C142 -137.6(18) . . . . ?
F28A C12 C144 O24 160.1(18) . . . . ?
F28A C12 C144 C142 -18(2) . . . . ?
F26A C12 C144 O24 -63(2) . . . . ?
F26A C12 C144 C142 119(2) . . . . ?
F32A C14 C134 O28 24(2) . . . . ?
F32A C14 C134 C136 -156(2) . . . . ?
F34A C14 C134 O28 -118(2) . . . . ?
F34A C14 C134 C136 62(2) . . . . ?
F36A C14 C134 O28 131.1(19) . . . . ?
F36A C14 C134 C136 -49(2) . . . . ?
F41A C26 C116 O12 -10.0(14) . . . . ?
F41A C26 C116 C118 173.2(12) . . . . ?
F81A C26 C116 O12 102.8(10) . . . . ?
F81A C26 C116 C118 -74.0(12) . . . . ?
F83A C26 C116 O12 -143.1(11) . . . . ?
F83A C26 C116 C118 40.1(13) . . . . ?
F46A C18 C146 O32 101.4(13) . . . . ?
F46A C18 C146 C148 -76.3(13) . . . . ?
F44A C18 C146 O32 -149.3(12) . . . . ?
F44A C18 C146 C148 33.1(14) . . . . ?
F48A C18 C146 O32 -19.9(18) . . . . ?
F48A C18 C146 C148 162.5(16) . . . . ?
F75A C22 C120 O10 -120(2) . . . . ?
F75A C22 C120 C118 56(2) . . . . ?
F19A C22 C120 O10 150.7(19) . . . . ?
F19A C22 C120 C118 -33(2) . . . . ?
F77A C22 C120 O10 54(4) . . . . ?
F77A C22 C120 C118 -130(4) . . . . ?
F85A C64 C122 O16 -85.4(16) . . . . ?
F85A C64 C122 C124 93.1(15) . . . . ?
F85A C64 F21A F43A -120.5(15) . . . . ?
F85A C64 F43A F21A 108.1(18) . . . . ?
F21A C64 C122 O16 37.8(14) . . . . ?
F21A C64 C122 C124 -143.7(13) . . . . ?
F43A C64 C122 O16 127.1(14) . . . . ?
F43A C64 C122 C124 -54.5(16) . . . . ?
F99A C34 C102 O38 -79.9(12) . . . . ?
F99A C34 C102 C100 103.6(12) . . . . ?
F25A C34 C102 O38 176.9(10) . . . . ?
F25A C34 C102 C100 0.5(13) . . . . ?
F110 C34 C102 O38 55.9(14) . . . . ?
F110 C34 C102 C100 -120.6(13) . . . . ?
F33A C23 C75 O31 17(2) . . . . ?
F33A C23 C75 C61 -162.3(19) . . . . ?
F67A C23 C75 O31 -97(2) . . . . ?
F67A C23 C75 C61 84(2) . . . . ?
F17A C23 C75 O31 117.3(18) . . . . ?
F17A C23 C75 C61 -62.1(18) . . . . ?
F69A C51 C123 O7 -163.8(16) . . . . ?
F69A C51 C123 C151 17.2(18) . . . . ?
F71A C51 C123 O7 -17.7(19) . . . . ?
F71A C51 C123 C151 163.2(17) . . . . ?
F35A C51 C123 O7 91.1(14) . . . . ?
F35A C51 C123 C151 -87.9(14) . . . . ?
F94A C85 C101 O39 109.0(14) . . . . ?
F94A C85 C101 C145 -70.9(16) . . . . ?
F92A C85 C101 O39 -144.0(12) . . . . ?
F92A C85 C101 C145 36.1(15) . . . . ?
F96A C85 C101 O39 -22.7(15) . . . . ?
F96A C85 C101 C145 157.4(13) . . . . ?
F88A C21 C153 O35 -17.5(13) . . . . ?
F88A C21 C153 C49 163.1(11) . . . . ?
F86A C21 C153 O35 85.8(13) . . . . ?
F86A C21 C153 C49 -93.7(14) . . . . ?
F90A C21 C153 O35 -123.6(12) . . . . ?
F90A C21 C153 C49 57.0(13) . . . . ?
F63A C91 C149 O15 -42.3(14) . . . . ?
F63A C91 C149 C61 137.0(13) . . . . ?
F65A C91 C149 O15 75.3(19) . . . . ?
F65A C91 C149 C61 -105.5(18) . . . . ?
F2A C91 C149 O15 -146.3(15) . . . . ?
F2A C91 C149 C61 33.0(17) . . . . ?
F64A C5 C73 O21 -176.8(13) . . . . ?
F64A C5 C73 C27 4.0(17) . . . . ?
F66A C5 C73 O21 74.6(13) . . . . ?
F66A C5 C73 C27 -104.6(13) . . . . ?
F62A C5 C73 O21 -47.0(15) . . . . ?
F62A C5 C73 C27 133.8(13) . . . . ?
F111 C47 C155 O2 14(3) . . . . ?
F111 C47 C155 C125 -166(2) . . . . ?
F53A C47 C155 O2 142.2(16) . . . . ?
F53A C47 C155 C125 -37.0(18) . . . . ?
F1A C47 C155 O2 -114.9(16) . . . . ?
F1A C47 C155 C125 65.9(17) . . . . ?
F54A C79 C143 O5 -74(3) . . . . ?
F54A C79 C143 C119 107(3) . . . . ?
F52A C79 C143 O5 32(3) . . . . ?
F52A C79 C143 C119 -147(3) . . . . ?
F50A C79 C143 O5 146(3) . . . . ?
F50A C79 C143 C119 -33(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 306.2 37.7 ?
2 -0.008 0.441 0.357 14.3 0.0 ?
3 -0.844 0.500 0.000 708.6 52.6 ?
4 0.008 0.559 0.643 14.3 0.0 ?
5 0.138 0.049 0.149 10.7 0.0 ?
6 0.125 0.272 0.119 7.3 0.0 ?
7 0.500 0.500 0.500 1176.3 123.9 ?
8 0.449 0.901 0.048 14.5 0.0 ?
9 0.551 0.099 0.952 14.5 0.0 ?
10 0.862 0.951 0.851 10.7 0.0 ?
11 0.875 0.728 0.881 7.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2347436'
loop_
_audit_author_name
_audit_author_address
'Hongdao Li' 'Taiyuan Institute of Technology'
_audit_update_record             
;
2024-04-11 deposited with the CCDC.	2024-10-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C79 H47 Dy3 F54 N8 O22'
_chemical_formula_sum            'C79 H47 Dy3 F54 N8 O22'
_chemical_formula_weight         2973.74

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.3435(16)
_cell_length_b                   17.940(3)
_cell_length_c                   27.416(3)
_cell_angle_alpha                95.376(5)
_cell_angle_beta                 101.823(4)
_cell_angle_gamma                96.555(5)
_cell_volume                     5385.7(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    12470
_cell_measurement_theta_min      3.79
_cell_measurement_theta_max      57.34

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_F_000             2874
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    2.220
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.620
_exptl_absorpt_correction_T_max  0.671
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            114171
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.852
_diffrn_reflns_theta_max         27.516
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             24793
_reflns_number_gt                17655
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1451P)²+8.2604P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         24580
_refine_ls_number_parameters     1573
_refine_ls_number_restraints     526
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0703
_refine_ls_wR_factor_ref         0.2288
_refine_ls_wR_factor_gt          0.2001
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.73670(3) 0.72713(2) 0.55677(2) 0.05367(11) Uani 1 1 d . . . . .
Dy2 Dy 0.60319(3) 0.71719(2) 0.25564(2) 0.05063(11) Uani 1 1 d . . . . .
Dy3 Dy 0.27485(4) 0.78667(2) -0.02948(2) 0.06630(13) Uani 1 1 d . . . . .
F19 F 0.3971(7) 0.8787(6) 0.4754(3) 0.145(3) Uani 1 1 d . . . . .
F20 F 0.3655(7) 0.8341(6) 0.5404(5) 0.166(4) Uani 1 1 d . . . . .
F21 F 0.4214(7) 0.9479(4) 0.5407(4) 0.138(3) Uani 1 1 d . . . . .
O19 O 0.1549(9) 0.8139(6) 0.0272(2) 0.116(3) Uani 1 1 d . U . . .
F43 F 0.3304(16) 0.7312(10) 0.4091(6) 0.127(5) Uani 0.62(3) 1 d . U P A 2
F45 F 0.2702(5) 0.6605(4) 0.3436(3) 0.113(2) Uani 1 1 d . U . . .
C55 C 0.4364(9) 0.8805(6) 0.5239(4) 0.082(2) Uani 1 1 d . . . . .
O20 O 0.0988(6) 0.8240(4) -0.0748(2) 0.0854(18) Uani 1 1 d D U . . .
F44 F 0.2490(7) 0.7724(6) 0.3308(4) 0.155(3) Uani 1 1 d D U . . .
F25 F 1.1759(8) 0.6860(5) 0.6900(3) 0.158(3) Uani 1 1 d . U . . .
C1 C 0.2763(10) 0.9731(5) -0.0369(3) 0.082(3) Uani 1 1 d . . . . .
H1 H 0.2283 0.9526 -0.0690 0.098 Uiso 1 1 calc R U . . .
N5 N 0.6412(5) 0.6608(3) 0.4697(2) 0.0521(12) Uani 1 1 d . . . . .
C3 C 0.3491(12) 1.0797(6) 0.0235(5) 0.106(4) Uani 1 1 d . . . . .
H3 H 0.3543 1.1320 0.0344 0.128 Uiso 1 1 calc R U . . .
O6 O 0.6909(4) 0.7858(3) 0.33375(18) 0.0552(11) Uani 1 1 d . . . . .
F52 F 0.793(2) 0.5931(19) 0.0990(7) 0.109(6) Uani 0.41(4) 1 d . U P B 2
O16 O 0.7937(5) 0.6049(3) 0.5581(2) 0.0646(12) Uani 1 1 d . . . . .
C74 C 0.3141(10) 0.7303(7) 0.3526(5) 0.106(3) Uani 1 1 d D U . . .
O2 O 0.5866(5) 0.5927(3) 0.2752(2) 0.0615(12) Uani 1 1 d . . . . .
C13 C 0.8767(11) 0.9826(7) 0.2358(3) 0.101(3) Uani 1 1 d . U . . .
O7 O 0.5331(5) 0.8353(3) 0.2512(2) 0.0713(14) Uani 1 1 d . . . . .
C14 C 0.8096(13) 1.0186(7) 0.2737(4) 0.114(3) Uani 1 1 d . U . . .
H14A H 0.8092 1.0724 0.2702 0.171 Uiso 1 1 calc R U . . .
H14B H 0.8514 1.0129 0.3079 0.171 Uiso 1 1 calc R U . . .
H14C H 0.7257 0.9932 0.2672 0.171 Uiso 1 1 calc R U . . .
O10 O 0.6290(5) 0.6515(3) 0.18157(19) 0.0693(14) Uani 1 1 d . . . . .
C69 C 0.7002(11) 0.5936(7) 0.1155(4) 0.117(3) Uani 1 1 d D U . . .
O5 O 0.4562(5) 0.7086(3) 0.3050(2) 0.0647(13) Uani 1 1 d . . . . .
F53 F 0.6202(13) 0.5279(7) 0.1040(5) 0.209(4) Uani 1 1 d D U . . .
O11 O 0.8205(5) 0.8528(3) 0.5606(2) 0.0667(13) Uani 1 1 d . . . . .
O18 O 0.3400(6) 0.8221(4) -0.1002(2) 0.0805(16) Uani 1 1 d . U . . .
O12 O 0.5776(5) 0.7956(3) 0.5275(2) 0.0614(12) Uani 1 1 d . . . . .
O17 O 0.4458(6) 0.7316(4) -0.0341(2) 0.0865(17) Uani 1 1 d . U . . .
C38 C 0.7059(6) 0.6539(4) 0.4342(3) 0.0510(14) Uani 1 1 d . . . . .
C29 C 0.3878(15) 0.7842(8) -0.1294(6) 0.138(3) Uani 1 1 d D U . . .
O14 O 0.5614(5) 0.6610(3) 0.57128(19) 0.0608(12) Uani 1 1 d . . . . .
F35 F 0.4344(12) 0.8864(6) -0.1753(3) 0.170(3) Uani 1 1 d . U . . .
O3 O 0.7313(5) 0.7932(3) 0.21813(18) 0.0628(12) Uani 1 1 d . . . . .
F36 F 0.4037(13) 0.7706(8) -0.2170(5) 0.154(3) Uani 0.662(15) 1 d D U P C 1
O13 O 0.7060(6) 0.7830(3) 0.6327(2) 0.0699(14) Uani 1 1 d . . . . .
N2 N 0.5073(6) 0.5412(3) 0.2836(2) 0.0559(13) Uani 1 1 d . . . . .
O21 O 0.2509(10) 0.6770(6) 0.0094(3) 0.122(2) Uani 1 1 d . U . . .
C41 C 0.4718(7) 0.5833(5) 0.4129(3) 0.0656(19) Uani 1 1 d . . . . .
H41 H 0.3899 0.5598 0.4067 0.079 Uiso 1 1 calc R U . . .
O9 O 0.7947(4) 0.6746(3) 0.27662(19) 0.0603(12) Uani 1 1 d . . . . .
N6 N 0.8702(5) 0.7277(4) 0.4944(2) 0.0621(15) Uani 1 1 d . . . . .
O8 O 0.4134(5) 0.6965(3) 0.2008(2) 0.0668(13) Uani 1 1 d . . . . .
C42 C 0.5260(7) 0.6260(5) 0.4588(3) 0.0642(19) Uani 1 1 d . . . . .
H42 H 0.4791 0.6307 0.4837 0.077 Uiso 1 1 calc R U . . .
F33 F 0.6176(15) 0.6311(9) -0.0903(6) 0.232(5) Uani 1 1 d . U . . .
O15 O 0.9212(6) 0.7370(4) 0.6146(2) 0.0805(17) Uani 1 1 d . . . . .
C31 C 0.4972(14) 0.7127(9) -0.0691(4) 0.126(3) Uani 1 1 d D U . . .
C40 C 0.5383(6) 0.5760(4) 0.3773(3) 0.0548(15) Uani 1 1 d . . . . .
F27 F 1.1652(10) 0.7794(7) 0.6571(5) 0.177(3) Uani 1 1 d . U . . .
N7 N 0.4271(7) 0.8289(4) 0.0537(2) 0.0710(18) Uani 1 1 d . . . . .
F26 F 1.0639(10) 0.7621(7) 0.7096(4) 0.176(3) Uani 1 1 d . U . . .
C37 C 0.8325(6) 0.6938(4) 0.4476(3) 0.0521(14) Uani 1 1 d . . . . .
C60 C 1.0998(14) 0.7266(8) 0.6722(5) 0.117(3) Uani 1 1 d . U . . .
C2 C 0.2873(11) 1.0504(7) -0.0222(4) 0.098(3) Uani 1 1 d . . . . .
H2 H 0.2505 1.0823 -0.0448 0.118 Uiso 1 1 calc R U . . .
C24 C 0.0023(11) 0.8393(9) -0.0645(6) 0.127(4) Uani 1 1 d D U . . .
F40 F 0.8478(6) 0.8703(4) 0.4082(2) 0.1040(19) Uani 1 1 d . . . . .
F18 F 0.6844(11) 0.9073(4) 0.6897(4) 0.159(3) Uani 1 1 d . U . . .
C56 C 0.5662(7) 0.8633(5) 0.5365(3) 0.0609(17) Uani 1 1 d . . . . .
F16 F 0.5346(10) 0.8570(6) 0.7100(4) 0.172(3) Uani 1 1 d . U . . .
C39 C 0.6567(6) 0.6130(4) 0.3867(3) 0.0502(14) Uani 1 1 d . . . . .
H39 H 0.7032 0.6107 0.3616 0.060 Uiso 1 1 calc R U . . .
C50 C 0.6386(15) 0.8435(6) 0.6974(4) 0.107(2) Uani 1 1 d . U . . .
N3 N 0.7680(6) 0.8630(4) 0.2138(2) 0.0610(15) Uani 1 1 d . . . . .
F17 F 0.7084(12) 0.8285(6) 0.7345(4) 0.173(3) Uani 1 1 d . U . . .
O1 O 0.3516(7) 0.4434(4) 0.3559(3) 0.093(2) Uani 1 1 d . . . . .
C6 C 0.4609(8) 0.9032(5) 0.0695(3) 0.070(2) Uani 1 1 d . . . . .
C26 C 0.0516(15) 0.8402(10) 0.0267(6) 0.135(3) Uani 1 1 d D U . . .
C10 C 0.4853(9) 0.7815(5) 0.0790(3) 0.081(3) Uani 1 1 d . . . . .
H10 H 0.4605 0.7291 0.0680 0.098 Uiso 1 1 calc R U . . .
C25 C -0.0216(16) 0.8568(11) -0.0159(7) 0.151(5) Uani 1 1 d . U . . .
H25 H -0.0907 0.8808 -0.0131 0.181 Uiso 1 1 calc R U . . .
C53 C 0.4887(8) 0.6750(5) 0.5985(3) 0.0670(14) Uani 1 1 d . U . . .
C43 C 0.4821(7) 0.5313(4) 0.3281(3) 0.0583(17) Uani 1 1 d . . . . .
C78 C 0.3260(8) 0.7345(5) 0.1944(3) 0.070(2) Uani 1 1 d . . . . .
N1 N 0.3953(6) 0.4703(3) 0.3212(3) 0.0703(18) Uani 1 1 d . . . . .
F41 F 0.7125(9) 0.8840(6) 0.4479(3) 0.164(4) Uani 1 1 d . . . . .
C71 C 0.6467(7) 0.8164(4) 0.3672(3) 0.0580(16) Uani 1 1 d . . . . .
F49 F 0.1936(6) 0.6201(4) 0.1668(3) 0.126(3) Uani 1 1 d . . . . .
N4 N 0.7885(8) 0.9713(5) 0.1865(3) 0.092(3) Uani 1 1 d . . . . .
C76 C 0.4313(8) 0.8537(4) 0.2360(4) 0.073(2) Uani 1 1 d . . . . .
C45 C 0.3423(8) 0.4461(4) 0.2668(3) 0.075(2) Uani 1 1 d . . . . .
C7 C 0.5509(9) 0.9295(5) 0.1121(3) 0.078(2) Uani 1 1 d . . . . .
H7 H 0.5687 0.9819 0.1239 0.093 Uiso 1 1 calc R U . . .
F54 F 0.6121(18) 0.6207(9) 0.0838(5) 0.142(5) Uani 0.55(3) 1 d D U P B 2
C79 C 0.2080(9) 0.6898(6) 0.1620(4) 0.089(3) Uani 1 1 d . . . . .
C11 C 0.7205(8) 0.9028(5) 0.1787(3) 0.068(2) Uani 1 1 d . . . . .
C58 C 0.7791(8) 0.9116(5) 0.5637(3) 0.067(2) Uani 1 1 d . . . . .
F15 F 0.3715(7) 0.5593(4) 0.5577(3) 0.117(2) Uani 1 1 d . U . . .
C63 C 0.8822(8) 0.5790(5) 0.5808(3) 0.073(2) Uani 1 1 d . . . . .
F50 F 0.1089(6) 0.7187(5) 0.1722(4) 0.148(3) Uani 1 1 d . . . . .
C5 C 0.3971(9) 0.9564(5) 0.0392(3) 0.074(2) Uani 1 1 d . . . . .
C51 C 0.6156(10) 0.7829(5) 0.6521(3) 0.0731(19) Uani 1 1 d . U . . .
C36 C 0.9070(8) 0.6961(6) 0.4134(4) 0.082(3) Uani 1 1 d . . . . .
H36 H 0.8787 0.6703 0.3805 0.098 Uiso 1 1 calc R U . . .
C61 C 0.9919(9) 0.6901(6) 0.6309(4) 0.084(3) Uani 1 1 d . . . . .
C33 C 0.9828(7) 0.7663(6) 0.5090(3) 0.084(3) Uani 1 1 d . . . . .
H33 H 1.0091 0.7912 0.5422 0.101 Uiso 1 1 calc R U . . .
F13 F 0.2803(7) 0.6559(5) 0.5655(4) 0.159(3) Uani 1 1 d . U . . .
C66 C 0.8490(8) 0.6364(6) 0.2509(3) 0.082(2) Uani 1 1 d D U . . .
C70 C 0.7321(10) 0.8776(5) 0.4043(3) 0.076(2) Uani 1 1 d . . . . .
C52 C 0.5088(10) 0.7344(6) 0.6390(3) 0.078(2) Uani 1 1 d . U . . .
H52 H 0.4470 0.7404 0.6572 0.094 Uiso 1 1 calc R U . . .
F42 F 0.7243(8) 0.9432(3) 0.3874(3) 0.129(3) Uani 1 1 d . . . . .
C62 C 0.9792(9) 0.6148(6) 0.6176(4) 0.086(3) Uani 1 1 d . . . . .
H62 H 1.0377 0.5861 0.6338 0.104 Uiso 1 1 calc R U . . .
N8 N 0.3321(7) 0.9269(4) -0.0068(2) 0.0759(19) Uani 1 1 d . . . . .
C35 C 1.0194(8) 0.7348(7) 0.4270(4) 0.095(3) Uani 1 1 d . . . . .
H35 H 1.0698 0.7378 0.4033 0.114 Uiso 1 1 calc R U . . .
C59 C 0.8793(13) 0.9821(6) 0.5752(5) 0.109(3) Uani 1 1 d . U . . .
C57 C 0.6569(8) 0.9239(5) 0.5565(3) 0.0678(19) Uani 1 1 d . . . . .
H57 H 0.6365 0.9726 0.5651 0.081 Uiso 1 1 calc R U . . .
C44 C 0.4483(9) 0.4767(4) 0.2446(3) 0.074(2) Uani 1 1 d . . . . .
C9 C 0.5790(9) 0.8006(5) 0.1198(3) 0.075(2) Uani 1 1 d . . . . .
H9 H 0.6188 0.7629 0.1360 0.090 Uiso 1 1 calc R U . . .
O4 O 0.7775(9) 1.0225(5) 0.1575(3) 0.139(4) Uani 1 1 d . . . . .
O22 O 0.1825(8) 0.6916(6) -0.0927(3) 0.123(2) Uani 1 1 d D U . . .
C8 C 0.6148(9) 0.8774(5) 0.1372(3) 0.073(2) Uani 1 1 d . . . . .
C48 C 0.4112(11) 0.5068(5) 0.1940(3) 0.091(3) Uani 1 1 d . . . . .
H48A H 0.3611 0.5471 0.1976 0.137 Uiso 1 1 calc R U . . .
H48B H 0.3646 0.4657 0.1691 0.137 Uiso 1 1 calc R U . . .
H48C H 0.4842 0.5268 0.1831 0.137 Uiso 1 1 calc R U . . .
F14 F 0.3437(8) 0.5976(6) 0.6273(3) 0.148(3) Uani 1 1 d . U . . .
C77 C 0.3257(8) 0.8081(5) 0.2084(4) 0.083(3) Uani 1 1 d . . . . .
H77 H 0.2529 0.8298 0.1994 0.099 Uiso 1 1 calc R U . . .
C67 C 0.8190(11) 0.6064(9) 0.2017(4) 0.123(5) Uani 1 1 d . U . . .
H67 H 0.8710 0.5754 0.1891 0.147 Uiso 1 1 calc R U . . .
C16 C 0.9173(9) 0.8796(6) 0.2957(3) 0.089(3) Uani 1 1 d . . . . .
H16A H 0.9995 0.9024 0.3134 0.134 Uiso 1 1 calc R U . . .
H16B H 0.9108 0.8245 0.2945 0.134 Uiso 1 1 calc R U . . .
H16C H 0.8578 0.8982 0.3135 0.134 Uiso 1 1 calc R U . . .
C73 C 0.4456(8) 0.7455(5) 0.3433(4) 0.069(2) Uani 1 1 d . . . . .
F23 F 0.9699(8) 0.9755(5) 0.6060(5) 0.184(4) Uani 1 1 d . U . . .
C34 C 1.0621(8) 0.7706(8) 0.4760(4) 0.102(4) Uani 1 1 d . . . . .
H34 H 1.1422 0.7970 0.4866 0.122 Uiso 1 1 calc R U . . .
C12 C 0.8925(8) 0.9009(6) 0.2427(3) 0.0763(19) Uani 1 1 d . U . . .
C68 C 0.7136(9) 0.6202(6) 0.1695(4) 0.083(2) Uani 1 1 d . U . . .
F22 F 0.8359(14) 1.0455(7) 0.5796(8) 0.128(5) Uani 0.56(3) 1 d D U P D 1
F51 F 0.2011(10) 0.6985(6) 0.1148(3) 0.159(4) Uani 1 1 d . . . . .
C4 C 0.4057(10) 1.0318(5) 0.0548(4) 0.086(3) Uani 1 1 d . . . . .
H4 H 0.4511 1.0517 0.0875 0.104 Uiso 1 1 calc R U . . .
C46 C 0.2317(9) 0.4874(6) 0.2541(4) 0.096(3) Uani 1 1 d . . . . .
H46A H 0.1771 0.4760 0.2767 0.143 Uiso 1 1 calc R U . . .
H46B H 0.1886 0.4706 0.2193 0.143 Uiso 1 1 calc R U . . .
H46C H 0.2582 0.5419 0.2581 0.143 Uiso 1 1 calc R U . . .
C15 C 0.9889(14) 1.0382(9) 0.2357(5) 0.139(4) Uani 1 1 d . U . . .
H15A H 0.9654 1.0886 0.2318 0.209 Uiso 1 1 calc R U . . .
H15B H 1.0253 1.0217 0.2077 0.209 Uiso 1 1 calc R U . . .
H15C H 1.0482 1.0402 0.2674 0.209 Uiso 1 1 calc R U . . .
C49 C 0.5501(12) 0.4253(6) 0.2433(4) 0.101(4) Uani 1 1 d . . . . .
H49A H 0.6228 0.4552 0.2377 0.151 Uiso 1 1 calc R U . . .
H49B H 0.5214 0.3837 0.2161 0.151 Uiso 1 1 calc R U . . .
H49C H 0.5699 0.4047 0.2754 0.151 Uiso 1 1 calc R U . . .
C72 C 0.5301(8) 0.8005(5) 0.3756(4) 0.077(2) Uani 1 1 d . . . . .
H72 H 0.5079 0.8271 0.4033 0.092 Uiso 1 1 calc R U . . .
C54 C 0.3694(9) 0.6230(7) 0.5883(4) 0.0877(16) Uani 1 1 d . U . . .
F24 F 0.9134(12) 0.9987(7) 0.5360(5) 0.197(4) Uani 1 1 d D U . . .
C22 C 0.210(3) 0.5512(15) 0.0277(12) 0.211(4) Uani 1 1 d D U . . .
F8 F 0.3030(15) 0.5598(8) 0.0720(6) 0.215(4) Uani 1 1 d . U . . .
F7 F 0.1185(17) 0.5572(10) 0.0360(7) 0.245(4) Uani 1 1 d . U . . .
F37 F 1.0193(6) 0.6586(7) 0.3181(3) 0.159(3) Uani 1 1 d . U . . .
F38 F 1.0349(9) 0.5869(7) 0.2571(4) 0.186(3) Uani 1 1 d . U . . .
C65 C 0.9667(11) 0.6123(10) 0.2842(5) 0.123(2) Uani 1 1 d D U . . .
F30 F 0.9880(8) 0.4723(4) 0.5741(4) 0.150(3) Uani 1 1 d . U . . .
F46 F 0.4766(11) 0.9593(5) 0.2982(4) 0.161(3) Uani 1 1 d . U . . .
F47 F 0.331(5) 0.944(3) 0.273(2) 0.160(7) Uani 0.26(2) 1 d . U P E 1
F48 F 0.4993(10) 0.9790(4) 0.2296(4) 0.157(3) Uani 1 1 d . U . . .
C64 C 0.8859(12) 0.4967(6) 0.5665(6) 0.109(2) Uani 1 1 d . U . . .
C75 C 0.4210(12) 0.9366(6) 0.2499(6) 0.110(2) Uani 1 1 d . U . . .
C47 C 0.3075(15) 0.3605(5) 0.2576(5) 0.136(6) Uani 1 1 d . . . . .
H47A H 0.3757 0.3361 0.2739 0.203 Uiso 1 1 calc R U . . .
H47B H 0.2878 0.3440 0.2215 0.203 Uiso 1 1 calc R U . . .
H47C H 0.2365 0.3463 0.2717 0.203 Uiso 1 1 calc R U . . .
C17 C 0.9827(10) 0.8659(10) 0.2153(5) 0.128(5) Uani 1 1 d . . . . .
H17A H 0.9756 0.8114 0.2174 0.192 Uiso 1 1 calc R U . . .
H17B H 1.0658 0.8893 0.2310 0.192 Uiso 1 1 calc R U . . .
H17C H 0.9640 0.8747 0.1799 0.192 Uiso 1 1 calc R U . . .
F28 F 0.7803(11) 0.4544(6) 0.5493(5) 0.117(3) Uani 0.554(14) 1 d D U P F 1
F6 F -0.0621(13) 0.8971(8) -0.1337(5) 0.227(4) Uani 1 1 d D U . . .
F4 F -0.1942(17) 0.8652(12) -0.1017(7) 0.264(6) Uani 1 1 d D U . . .
F5 F -0.114(2) 0.7962(9) -0.1517(7) 0.295(6) Uani 1 1 d D U . . .
C30 C 0.4691(14) 0.7380(8) -0.1139(5) 0.134(4) Uani 1 1 d D U . . .
H30 H 0.5126 0.7209 -0.1380 0.161 Uiso 1 1 calc R U . . .
F3 F 0.1135(13) 0.8732(8) 0.1120(4) 0.196(4) Uani 1 1 d . U . . .
C27 C 0.011(3) 0.8505(18) 0.0791(7) 0.190(4) Uani 1 1 d D U . . .
C28 C 0.3902(17) 0.8223(10) -0.1791(6) 0.140(3) Uani 1 1 d D U . . .
C18 C 0.085(2) 0.5917(8) -0.1550(4) 0.213(3) Uani 1 1 d D U . . .
C20 C 0.149(2) 0.5779(10) -0.0519(5) 0.193(5) Uani 1 1 d D U . . .
H20 H 0.1029 0.5305 -0.0515 0.231 Uiso 1 1 calc R U . . .
F11 F 0.0138(15) 0.6280(10) -0.1754(7) 0.245(3) Uani 1 1 d D U . . .
F12 F 0.1456(15) 0.5806(10) -0.1820(7) 0.246(3) Uani 1 1 d D U . . .
F9 F 0.2275(17) 0.4880(9) 0.0097(6) 0.244(4) Uani 1 1 d . U . . .
F32 F 0.6802(11) 0.6926(9) -0.0219(6) 0.208(5) Uani 1 1 d . U . . .
F34 F 0.5259(11) 0.8047(10) -0.1627(5) 0.231(5) Uani 1 1 d D U . . .
C32 C 0.597(2) 0.6659(12) -0.0564(8) 0.150(5) Uani 1 1 d . U . . .
F31 F 0.5646(17) 0.6034(10) -0.0356(7) 0.250(6) Uani 1 1 d . U . . .
F1 F -0.0147(19) 0.9284(12) 0.0799(6) 0.283(7) Uani 1 1 d . U . . .
F2 F -0.0624(18) 0.7961(14) 0.0790(6) 0.303(7) Uani 1 1 d . U . . .
C19 C 0.135(3) 0.6074(14) -0.0963(4) 0.246(5) Uani 1 1 d D U . . .
F39 F 0.9192(12) 0.5563(8) 0.3121(5) 0.192(3) Uani 1 1 d . U . . .
C21 C 0.225(2) 0.6114(14) -0.0070(7) 0.211(4) Uani 1 1 d D U . . .
F10 F 0.0387(16) 0.5228(8) -0.1433(6) 0.245(3) Uani 1 1 d D U . . .
F29 F 0.8841(11) 0.4870(6) 0.5111(4) 0.176(3) Uani 1 1 d D U . . .
F54A F 0.694(3) 0.6530(10) 0.0870(7) 0.138(6) Uani 0.45(3) 1 d D U P B 1
F28A F 0.8507(17) 0.4566(8) 0.6018(8) 0.128(4) Uani 0.446(14) 1 d . U P F 2
F36A F 0.255(2) 0.8163(12) -0.1983(7) 0.106(7) Uani 0.338(15) 1 d . U P C 2
F43A F 0.305(2) 0.7671(18) 0.3974(5) 0.149(7) Uani 0.38(3) 1 d D U P A 1
F47A F 0.3205(11) 0.9586(5) 0.2366(7) 0.137(4) Uani 0.74(2) 1 d . U P E 2
F52A F 0.7781(14) 0.5531(17) 0.1018(8) 0.157(6) Uani 0.59(4) 1 d D U P B 1
F22A F 0.839(2) 1.0361(12) 0.6106(11) 0.135(6) Uani 0.44(3) 1 d . U P D 2
C23 C -0.0878(18) 0.8408(10) -0.1060(5) 0.202(5) Uani 1 1 d D 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 O14 2.322(5) . ?
Dy1 O11 2.329(6) . ?
Dy1 O15 2.330(5) . ?
Dy1 O13 2.334(5) . ?
Dy1 O12 2.346(5) . ?
Dy1 O16 2.357(6) . ?
Dy1 N6 2.505(7) . ?
Dy1 N5 2.531(6) . ?
Dy2 O8 2.328(5) . ?
Dy2 O6 2.333(5) . ?
Dy2 O3 2.336(5) . ?
Dy2 O10 2.339(5) . ?
Dy2 O2 2.341(5) . ?
Dy2 O5 2.354(5) . ?
Dy2 O7 2.351(5) . ?
Dy2 O9 2.363(5) . ?
Dy3 O17 2.295(7) . ?
Dy3 O22 2.303(8) . ?
Dy3 O19 2.320(8) . ?
Dy3 O20 2.329(6) . ?
Dy3 O18 2.328(6) . ?
Dy3 O21 2.339(10) . ?
Dy3 N8 2.511(7) . ?
Dy3 N7 2.554(6) . ?
F19 C55 1.309(13) . ?
F20 C55 1.270(13) . ?
F21 C55 1.296(11) . ?
O19 C26 1.311(16) . ?
F43 C74 1.52(2) . ?
F45 C74 1.276(13) . ?
C55 C56 1.516(12) . ?
O20 C24 1.238(9) . ?
F44 C74 1.226(15) . ?
F25 C60 1.245(14) . ?
C1 N8 1.342(11) . ?
C1 C2 1.391(15) . ?
C1 H1 0.9500 . ?
N5 C38 1.339(9) . ?
N5 C42 1.344(9) . ?
C3 C2 1.330(16) . ?
C3 C4 1.387(14) . ?
C3 H3 0.9500 . ?
O6 C71 1.246(8) . ?
F52 C69 1.23(2) . ?
O16 C63 1.232(10) . ?
C74 F43A 1.367(10) . ?
C74 C73 1.563(13) . ?
O2 N2 1.285(8) . ?
C13 N4 1.489(11) . ?
C13 C12 1.521(16) . ?
C13 C15 1.526(16) . ?
C13 C14 1.546(19) . ?
O7 C76 1.238(10) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
O10 C68 1.251(11) . ?
C69 F52A 1.30(2) . ?
C69 F54 1.351(9) . ?
C69 F53 1.372(9) . ?
C69 F54A 1.378(10) . ?
C69 C68 1.486(14) . ?
O5 C73 1.223(10) . ?
O11 C58 1.205(10) . ?
O18 C29 1.249(14) . ?
O12 C56 1.244(9) . ?
O17 C31 1.259(14) . ?
C38 C39 1.405(9) . ?
C38 C37 1.486(9) . ?
C29 C30 1.3404(10) . ?
C29 C28 1.59(2) . ?
O14 C53 1.252(10) . ?
F35 C28 1.186(17) . ?
O3 N3 1.297(8) . ?
F36 C28 1.370(9) . ?
O13 C51 1.248(11) . ?
N2 C43 1.332(10) . ?
N2 C44 1.493(9) . ?
O21 C21 1.20(2) . ?
C41 C40 1.356(11) . ?
C41 C42 1.394(11) . ?
C41 H41 0.9500 . ?
O9 C66 1.237(10) . ?
N6 C37 1.331(9) . ?
N6 C33 1.345(10) . ?
O8 C78 1.259(10) . ?
C42 H42 0.9500 . ?
F33 C32 1.149(18) . ?
O15 C61 1.275(11) . ?
C31 C30 1.3402(10) . ?
C31 C32 1.49(2) . ?
C40 C39 1.391(9) . ?
C40 C43 1.482(9) . ?
F27 C60 1.287(18) . ?
N7 C10 1.301(11) . ?
N7 C6 1.348(11) . ?
F26 C60 1.316(17) . ?
C37 C36 1.385(11) . ?
C60 C61 1.523(14) . ?
C2 H2 0.9500 . ?
C24 C23 1.37(2) . ?
C24 C25 1.43(2) . ?
F40 C70 1.317(12) . ?
F18 C50 1.259(13) . ?
C56 C57 1.393(11) . ?
F16 C50 1.336(16) . ?
C39 H39 0.9500 . ?
C50 F17 1.226(17) . ?
C50 C51 1.531(13) . ?
N3 C11 1.317(10) . ?
N3 C12 1.518(10) . ?
O1 N1 1.268(10) . ?
C6 C7 1.388(11) . ?
C6 C5 1.478(12) . ?
C26 C25 1.37(2) . ?
C26 C27 1.597(10) . ?
C10 C9 1.363(11) . ?
C10 H10 0.9500 . ?
C25 H25 0.9500 . ?
C53 C52 1.428(12) . ?
C53 C54 1.512(14) . ?
C43 N1 1.356(9) . ?
C78 C77 1.342(12) . ?
C78 C79 1.536(13) . ?
N1 C45 1.491(11) . ?
F41 C70 1.257(10) . ?
C71 C72 1.391(11) . ?
C71 C70 1.525(11) . ?
F49 C79 1.266(12) . ?
N4 O4 1.270(10) . ?
N4 C11 1.347(11) . ?
C76 C77 1.402(12) . ?
C76 C75 1.522(13) . ?
C45 C46 1.526(14) . ?
C45 C47 1.525(11) . ?
C45 C44 1.526(14) . ?
C7 C8 1.393(13) . ?
C7 H7 0.9500 . ?
C79 F51 1.305(14) . ?
C79 F50 1.359(13) . ?
C11 C8 1.469(10) . ?
C58 C57 1.406(13) . ?
C58 C59 1.563(13) . ?
F15 C54 1.359(13) . ?
C63 C62 1.380(14) . ?
C63 C64 1.500(15) . ?
C5 N8 1.351(10) . ?
C5 C4 1.365(12) . ?
C51 C52 1.369(14) . ?
C36 C35 1.341(12) . ?
C36 H36 0.9500 . ?
C61 C62 1.350(15) . ?
C33 C34 1.401(14) . ?
C33 H33 0.9500 . ?
F13 C54 1.307(13) . ?
C66 C67 1.362(14) . ?
C66 C65 1.585(8) . ?
C70 F42 1.311(12) . ?
C52 H52 0.9500 . ?
C62 H62 0.9500 . ?
C35 C34 1.398(14) . ?
C35 H35 0.9500 . ?
C59 F23 1.214(13) . ?
C59 F24 1.263(16) . ?
C59 F22 1.294(18) . ?
C59 F22A 1.48(3) . ?
C57 H57 0.9500 . ?
C44 C48 1.532(13) . ?
C44 C49 1.561(13) . ?
C9 C8 1.401(12) . ?
C9 H9 0.9500 . ?
O22 C19 1.53(2) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
F14 C54 1.275(12) . ?
C77 H77 0.9500 . ?
C67 C68 1.394(14) . ?
C67 H67 0.9500 . ?
C16 C12 1.515(11) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C73 C72 1.396(13) . ?
C34 H34 0.9500 . ?
C12 C17 1.545(17) . ?
C4 H4 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C72 H72 0.9500 . ?
C22 F7 1.12(3) . ?
C22 F9 1.25(3) . ?
C22 F8 1.42(3) . ?
C22 C21 1.524(10) . ?
F37 C65 1.195(15) . ?
F38 C65 1.269(15) . ?
C65 F39 1.44(2) . ?
F30 C64 1.268(14) . ?
F46 C75 1.348(16) . ?
F46 F47 1.63(5) . ?
F47 C75 1.32(4) . ?
F48 C75 1.343(17) . ?
C64 F28 1.313(17) . ?
C64 F28A 1.35(2) . ?
C64 F29 1.508(18) . ?
C75 F47A 1.244(16) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
F6 C23 1.361(10) . ?
F4 C23 1.354(10) . ?
F5 C23 1.3798(10) . ?
C30 H30 0.9500 . ?
F3 C27 1.32(3) . ?
C27 F2 1.21(3) . ?
C27 F1 1.46(3) . ?
C28 F36A 1.50(3) . ?
C28 F34 1.59(2) . ?
C18 F12 1.13(2) . ?
C18 F11 1.18(2) . ?
C18 F10 1.3796(11) . ?
C18 C19 1.5802(10) . ?
C20 C19 1.3600(7) . ?
C20 C21 1.3900(7) . ?
C20 H20 0.9500 . ?
F32 C32 1.21(2) . ?
C32 F31 1.35(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O14 Dy1 O11 137.5(2) . . ?
O14 Dy1 O15 120.8(2) . . ?
O11 Dy1 O15 76.1(2) . . ?
O14 Dy1 O13 73.0(2) . . ?
O11 Dy1 O13 76.4(2) . . ?
O15 Dy1 O13 73.4(2) . . ?
O14 Dy1 O12 73.70(18) . . ?
O11 Dy1 O12 72.40(19) . . ?
O15 Dy1 O12 142.35(19) . . ?
O13 Dy1 O12 79.6(2) . . ?
O14 Dy1 O16 79.80(18) . . ?
O11 Dy1 O16 140.9(2) . . ?
O15 Dy1 O16 72.7(2) . . ?
O13 Dy1 O16 115.35(19) . . ?
O12 Dy1 O16 144.10(18) . . ?
O14 Dy1 N6 140.76(18) . . ?
O11 Dy1 N6 74.6(2) . . ?
O15 Dy1 N6 83.2(2) . . ?
O13 Dy1 N6 146.2(2) . . ?
O12 Dy1 N6 107.2(2) . . ?
O16 Dy1 N6 78.9(2) . . ?
O14 Dy1 N5 79.28(18) . . ?
O11 Dy1 N5 115.67(19) . . ?
O15 Dy1 N5 137.77(19) . . ?
O13 Dy1 N5 147.2(2) . . ?
O12 Dy1 N5 75.94(18) . . ?
O16 Dy1 N5 75.68(19) . . ?
N6 Dy1 N5 63.70(18) . . ?
O8 Dy2 O6 137.06(18) . . ?
O8 Dy2 O3 106.47(19) . . ?
O6 Dy2 O3 90.20(17) . . ?
O8 Dy2 O10 73.5(2) . . ?
O6 Dy2 O10 148.61(19) . . ?
O3 Dy2 O10 70.0(2) . . ?
O8 Dy2 O2 92.58(19) . . ?
O6 Dy2 O2 102.11(18) . . ?
O3 Dy2 O2 136.37(19) . . ?
O10 Dy2 O2 78.87(19) . . ?
O8 Dy2 O5 72.9(2) . . ?
O6 Dy2 O5 72.73(18) . . ?
O3 Dy2 O5 148.39(19) . . ?
O10 Dy2 O5 135.5(2) . . ?
O2 Dy2 O5 74.38(19) . . ?
O8 Dy2 O7 73.11(19) . . ?
O6 Dy2 O7 75.34(19) . . ?
O3 Dy2 O7 71.7(2) . . ?
O10 Dy2 O7 118.1(2) . . ?
O2 Dy2 O7 151.8(2) . . ?
O5 Dy2 O7 78.2(2) . . ?
O8 Dy2 O9 145.20(18) . . ?
O6 Dy2 O9 76.88(17) . . ?
O3 Dy2 O9 74.76(19) . . ?
O10 Dy2 O9 74.55(18) . . ?
O2 Dy2 O9 67.86(19) . . ?
O5 Dy2 O9 124.31(19) . . ?
O7 Dy2 O9 135.8(2) . . ?
O17 Dy3 O22 83.3(3) . . ?
O17 Dy3 O19 140.1(2) . . ?
O22 Dy3 O19 113.5(4) . . ?
O17 Dy3 O20 145.7(2) . . ?
O22 Dy3 O20 71.2(3) . . ?
O19 Dy3 O20 73.0(2) . . ?
O17 Dy3 O18 72.5(2) . . ?
O22 Dy3 O18 75.3(3) . . ?
O19 Dy3 O18 145.1(3) . . ?
O20 Dy3 O18 79.0(2) . . ?
O17 Dy3 O21 75.6(3) . . ?
O22 Dy3 O21 73.9(3) . . ?
O19 Dy3 O21 75.1(3) . . ?
O20 Dy3 O21 116.8(3) . . ?
O18 Dy3 O21 137.6(3) . . ?
O17 Dy3 N8 109.6(3) . . ?
O22 Dy3 N8 145.2(3) . . ?
O19 Dy3 N8 77.7(3) . . ?
O20 Dy3 N8 82.0(3) . . ?
O18 Dy3 N8 78.1(2) . . ?
O21 Dy3 N8 139.8(3) . . ?
O17 Dy3 N7 73.2(2) . . ?
O22 Dy3 N7 148.9(3) . . ?
O19 Dy3 N7 75.8(3) . . ?
O20 Dy3 N7 138.0(2) . . ?
O18 Dy3 N7 115.0(2) . . ?
O21 Dy3 N7 80.6(3) . . ?
N8 Dy3 N7 64.2(2) . . ?
C26 O19 Dy3 137.5(8) . . ?
F20 C55 F21 107.3(10) . . ?
F20 C55 F19 109.0(10) . . ?
F21 C55 F19 102.5(9) . . ?
F20 C55 C56 111.3(8) . . ?
F21 C55 C56 114.8(9) . . ?
F19 C55 C56 111.4(9) . . ?
C24 O20 Dy3 134.3(9) . . ?
N8 C1 C2 121.4(9) . . ?
N8 C1 H1 119.3 . . ?
C2 C1 H1 119.3 . . ?
C38 N5 C42 117.6(6) . . ?
C38 N5 Dy1 121.4(4) . . ?
C42 N5 Dy1 120.7(5) . . ?
C2 C3 C4 118.3(10) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 H3 120.9 . . ?
C71 O6 Dy2 132.5(5) . . ?
C63 O16 Dy1 134.0(6) . . ?
F44 C74 F45 114.4(11) . . ?
F44 C74 F43A 89.1(9) . . ?
F45 C74 F43A 116.4(19) . . ?
F44 C74 F43 119.4(10) . . ?
F45 C74 F43 93.4(12) . . ?
F44 C74 C73 110.6(11) . . ?
F45 C74 C73 112.6(8) . . ?
F43A C74 C73 111.6(14) . . ?
F43 C74 C73 105.2(11) . . ?
N2 O2 Dy2 140.2(4) . . ?
N4 C13 C12 100.0(8) . . ?
N4 C13 C15 112.0(8) . . ?
C12 C13 C15 118.6(12) . . ?
N4 C13 C14 105.5(10) . . ?
C12 C13 C14 112.5(9) . . ?
C15 C13 C14 107.4(11) . . ?
C76 O7 Dy2 132.6(5) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C68 O10 Dy2 134.1(6) . . ?
F52 C69 F54 111.5(16) . . ?
F52 C69 F53 115.5(17) . . ?
F52A C69 F53 85.4(11) . . ?
F54 C69 F53 83.3(7) . . ?
F52A C69 F54A 107.6(18) . . ?
F53 C69 F54A 123.7(13) . . ?
F52 C69 C68 117.9(14) . . ?
F52A C69 C68 119.3(13) . . ?
F54 C69 C68 115.4(11) . . ?
F53 C69 C68 108.2(11) . . ?
F54A C69 C68 111.2(12) . . ?
C73 O5 Dy2 133.1(5) . . ?
C58 O11 Dy1 132.9(6) . . ?
C29 O18 Dy3 128.3(8) . . ?
C56 O12 Dy1 131.3(5) . . ?
C31 O17 Dy3 134.6(7) . . ?
N5 C38 C39 122.3(6) . . ?
N5 C38 C37 115.9(6) . . ?
C39 C38 C37 121.9(6) . . ?
O18 C29 C30 123.2(14) . . ?
O18 C29 C28 111.4(11) . . ?
C30 C29 C28 120.2(14) . . ?
C53 O14 Dy1 134.3(5) . . ?
N3 O3 Dy2 143.0(5) . . ?
C51 O13 Dy1 133.4(6) . . ?
O2 N2 C43 125.8(6) . . ?
O2 N2 C44 121.6(7) . . ?
C43 N2 C44 111.8(6) . . ?
C21 O21 Dy3 132.3(11) . . ?
C40 C41 C42 118.7(7) . . ?
C40 C41 H41 120.6 . . ?
C42 C41 H41 120.6 . . ?
C66 O9 Dy2 130.7(5) . . ?
C37 N6 C33 119.4(7) . . ?
C37 N6 Dy1 122.7(5) . . ?
C33 N6 Dy1 117.8(5) . . ?
C78 O8 Dy2 132.4(5) . . ?
N5 C42 C41 123.3(7) . . ?
N5 C42 H42 118.3 . . ?
C41 C42 H42 118.3 . . ?
C61 O15 Dy1 134.6(6) . . ?
O17 C31 C30 121.6(13) . . ?
O17 C31 C32 116.2(12) . . ?
C30 C31 C32 122.1(14) . . ?
C41 C40 C39 119.5(6) . . ?
C41 C40 C43 119.6(7) . . ?
C39 C40 C43 120.8(7) . . ?
C10 N7 C6 117.5(7) . . ?
C10 N7 Dy3 122.1(5) . . ?
C6 N7 Dy3 119.9(5) . . ?
N6 C37 C36 121.7(7) . . ?
N6 C37 C38 116.1(6) . . ?
C36 C37 C38 122.2(6) . . ?
F25 C60 F27 102.8(14) . . ?
F25 C60 F26 108.2(11) . . ?
F27 C60 F26 103.3(12) . . ?
F25 C60 C61 118.1(11) . . ?
F27 C60 C61 111.8(11) . . ?
F26 C60 C61 111.3(13) . . ?
C3 C2 C1 120.2(10) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
O20 C24 C23 113.3(14) . . ?
O20 C24 C25 127.7(15) . . ?
C23 C24 C25 119.0(12) . . ?
O12 C56 C57 128.2(8) . . ?
O12 C56 C55 114.6(7) . . ?
C57 C56 C55 117.2(8) . . ?
C40 C39 C38 118.5(6) . . ?
C40 C39 H39 120.8 . . ?
C38 C39 H39 120.8 . . ?
F17 C50 F18 104.6(14) . . ?
F17 C50 F16 108.9(11) . . ?
F18 C50 F16 103.4(11) . . ?
F17 C50 C51 113.9(11) . . ?
F18 C50 C51 114.0(9) . . ?
F16 C50 C51 111.3(12) . . ?
O3 N3 C11 126.5(6) . . ?
O3 N3 C12 120.3(6) . . ?
C11 N3 C12 111.6(7) . . ?
N7 C6 C7 122.4(8) . . ?
N7 C6 C5 116.8(7) . . ?
C7 C6 C5 120.8(8) . . ?
O19 C26 C25 123.3(13) . . ?
O19 C26 C27 116.6(16) . . ?
C25 C26 C27 120.1(16) . . ?
N7 C10 C9 125.4(8) . . ?
N7 C10 H10 117.3 . . ?
C9 C10 H10 117.3 . . ?
C26 C25 C24 122.3(15) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
O14 C53 C52 126.1(8) . . ?
O14 C53 C54 116.9(8) . . ?
C52 C53 C54 116.9(8) . . ?
N2 C43 N1 107.6(6) . . ?
N2 C43 C40 127.8(6) . . ?
N1 C43 C40 124.6(8) . . ?
O8 C78 C77 128.9(8) . . ?
O8 C78 C79 113.3(8) . . ?
C77 C78 C79 117.5(8) . . ?
O1 N1 C43 124.8(7) . . ?
O1 N1 C45 123.0(7) . . ?
C43 N1 C45 111.5(7) . . ?
O6 C71 C72 128.2(7) . . ?
O6 C71 C70 115.8(7) . . ?
C72 C71 C70 116.0(7) . . ?
O4 N4 C11 125.9(7) . . ?
O4 N4 C13 122.5(8) . . ?
C11 N4 C13 111.5(7) . . ?
O7 C76 C77 128.3(7) . . ?
O7 C76 C75 115.0(8) . . ?
C77 C76 C75 116.8(8) . . ?
N1 C45 C46 105.4(8) . . ?
N1 C45 C47 110.1(8) . . ?
C46 C45 C47 111.8(9) . . ?
N1 C45 C44 99.8(6) . . ?
C46 C45 C44 113.4(8) . . ?
C47 C45 C44 115.2(10) . . ?
C6 C7 C8 118.6(8) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 H7 120.7 . . ?
F49 C79 F51 109.7(10) . . ?
F49 C79 F50 107.3(10) . . ?
F51 C79 F50 103.2(10) . . ?
F49 C79 C78 114.6(8) . . ?
F51 C79 C78 110.3(10) . . ?
F50 C79 C78 111.1(9) . . ?
N3 C11 N4 107.7(7) . . ?
N3 C11 C8 126.8(7) . . ?
N4 C11 C8 125.5(8) . . ?
O11 C58 C57 129.2(8) . . ?
O11 C58 C59 112.7(9) . . ?
C57 C58 C59 118.1(9) . . ?
O16 C63 C62 129.4(9) . . ?
O16 C63 C64 115.7(9) . . ?
C62 C63 C64 115.0(9) . . ?
N8 C5 C4 120.5(8) . . ?
N8 C5 C6 115.9(7) . . ?
C4 C5 C6 123.5(7) . . ?
O13 C51 C52 128.0(8) . . ?
O13 C51 C50 111.4(10) . . ?
C52 C51 C50 120.6(9) . . ?
C35 C36 C37 119.9(8) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
O15 C61 C62 128.4(9) . . ?
O15 C61 C60 113.0(9) . . ?
C62 C61 C60 118.5(9) . . ?
N6 C33 C34 121.3(8) . . ?
N6 C33 H33 119.4 . . ?
C34 C33 H33 119.4 . . ?
O9 C66 C67 131.7(8) . . ?
O9 C66 C65 111.4(8) . . ?
C67 C66 C65 116.5(8) . . ?
F41 C70 F40 107.8(10) . . ?
F41 C70 F42 107.5(9) . . ?
F40 C70 F42 103.0(8) . . ?
F41 C70 C71 115.2(8) . . ?
F40 C70 C71 113.3(7) . . ?
F42 C70 C71 109.3(8) . . ?
C51 C52 C53 121.2(8) . . ?
C51 C52 H52 119.4 . . ?
C53 C52 H52 119.4 . . ?
C61 C62 C63 120.7(9) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 H62 119.7 . . ?
C1 N8 C5 118.7(8) . . ?
C1 N8 Dy3 118.7(6) . . ?
C5 N8 Dy3 121.1(6) . . ?
C36 C35 C34 119.8(9) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
F23 C59 F24 107.1(16) . . ?
F23 C59 F22 116.8(13) . . ?
F24 C59 F22 90.8(10) . . ?
F23 C59 F22A 92.6(14) . . ?
F24 C59 F22A 124.8(14) . . ?
F23 C59 C58 114.6(10) . . ?
F24 C59 C58 111.6(10) . . ?
F22 C59 C58 113.2(13) . . ?
F22A C59 C58 105.1(14) . . ?
C56 C57 C58 118.7(8) . . ?
C56 C57 H57 120.7 . . ?
C58 C57 H57 120.7 . . ?
N2 C44 C45 100.6(7) . . ?
N2 C44 C48 109.0(6) . . ?
C45 C44 C48 114.8(8) . . ?
N2 C44 C49 104.1(7) . . ?
C45 C44 C49 116.4(8) . . ?
C48 C44 C49 110.6(9) . . ?
C10 C9 C8 118.1(8) . . ?
C10 C9 H9 121.0 . . ?
C8 C9 H9 121.0 . . ?
C19 O22 Dy3 136.4(6) . . ?
C7 C8 C9 117.8(7) . . ?
C7 C8 C11 120.8(8) . . ?
C9 C8 C11 121.3(8) . . ?
C44 C48 H48A 109.5 . . ?
C44 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C44 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C78 C77 C76 121.1(8) . . ?
C78 C77 H77 119.5 . . ?
C76 C77 H77 119.5 . . ?
C66 C67 C68 121.5(8) . . ?
C66 C67 H67 119.2 . . ?
C68 C67 H67 119.2 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O5 C73 C72 128.9(7) . . ?
O5 C73 C74 111.9(8) . . ?
C72 C73 C74 118.9(8) . . ?
C35 C34 C33 117.8(8) . . ?
C35 C34 H34 121.1 . . ?
C33 C34 H34 121.1 . . ?
C13 C12 N3 98.9(8) . . ?
C13 C12 C16 118.1(8) . . ?
N3 C12 C16 110.3(7) . . ?
C13 C12 C17 116.3(10) . . ?
N3 C12 C17 104.5(7) . . ?
C16 C12 C17 107.5(10) . . ?
O10 C68 C67 126.9(9) . . ?
O10 C68 C69 116.9(9) . . ?
C67 C68 C69 116.2(9) . . ?
C5 C4 C3 120.8(9) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C73 C72 C71 119.9(8) . . ?
C73 C72 H72 120.1 . . ?
C71 C72 H72 120.1 . . ?
F14 C54 F13 110.4(10) . . ?
F14 C54 F15 103.2(10) . . ?
F13 C54 F15 106.3(10) . . ?
F14 C54 C53 113.9(9) . . ?
F13 C54 C53 110.9(9) . . ?
F15 C54 C53 111.7(8) . . ?
F7 C22 F9 118(3) . . ?
F7 C22 F8 112(3) . . ?
F9 C22 F8 98(2) . . ?
F7 C22 C21 103(3) . . ?
F9 C22 C21 112(3) . . ?
F8 C22 C21 114(2) . . ?
F37 C65 F38 113.7(13) . . ?
F37 C65 F39 99.6(13) . . ?
F38 C65 F39 112.8(13) . . ?
F37 C65 C66 114.7(11) . . ?
F38 C65 C66 111.2(10) . . ?
F39 C65 C66 103.9(11) . . ?
C75 F46 F47 51.8(18) . . ?
C75 F47 F46 53(2) . . ?
F30 C64 F28 124.9(11) . . ?
F30 C64 F28A 91.0(12) . . ?
F30 C64 C63 118.7(11) . . ?
F28 C64 C63 116.2(11) . . ?
F28A C64 C63 109.2(13) . . ?
F30 C64 F29 88.2(11) . . ?
F28 C64 F29 79.7(9) . . ?
F28A C64 F29 139.5(13) . . ?
C63 C64 F29 106.6(10) . . ?
F47A C75 F48 106.2(13) . . ?
F47 C75 F48 139(2) . . ?
F47A C75 F46 114.4(14) . . ?
F47 C75 F46 75(3) . . ?
F48 C75 F46 96.4(11) . . ?
F47A C75 C76 118.3(11) . . ?
F47 C75 C76 112(2) . . ?
F48 C75 C76 108.4(11) . . ?
F46 C75 C76 110.5(10) . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C31 C30 C29 128.7(15) . . ?
C31 C30 H30 115.7 . . ?
C29 C30 H30 115.7 . . ?
F2 C27 F3 127(3) . . ?
F2 C27 F1 125(3) . . ?
F3 C27 F1 90(2) . . ?
F2 C27 C26 106(2) . . ?
F3 C27 C26 103.9(19) . . ?
F1 C27 C26 100.0(17) . . ?
F35 C28 F36 121.2(15) . . ?
F35 C28 F36A 109.5(18) . . ?
F35 C28 C29 118.4(14) . . ?
F36 C28 C29 110.8(14) . . ?
F36A C28 C29 97.6(13) . . ?
F35 C28 F34 85.5(14) . . ?
F36 C28 F34 75.3(9) . . ?
F36A C28 F34 164.6(16) . . ?
C29 C28 F34 77.4(12) . . ?
F12 C18 F11 105.2(14) . . ?
F12 C18 F10 107.6(18) . . ?
F11 C18 F10 117(2) . . ?
F12 C18 C19 122(3) . . ?
F11 C18 C19 121(2) . . ?
F10 C18 C19 82.5(14) . . ?
C19 C20 C21 125.5(17) . . ?
C19 C20 H20 117.3 . . ?
C21 C20 H20 117.3 . . ?
F33 C32 F32 119(2) . . ?
F33 C32 F31 92.7(18) . . ?
F32 C32 F31 96.0(19) . . ?
F33 C32 C31 114.5(19) . . ?
F32 C32 C31 116.2(16) . . ?
F31 C32 C31 113.4(19) . . ?
C20 C19 O22 115.3(13) . . ?
C20 C19 C18 146(2) . . ?
O22 C19 C18 98.5(10) . . ?
O21 C21 C20 129(2) . . ?
O21 C21 C22 120.9(19) . . ?
C20 C21 C22 102(2) . . ?
F4 C23 F6 91.4(15) . . ?
F4 C23 F5 104.6(18) . . ?
F6 C23 F5 83.7(6) . . ?
F4 C23 C24 121.1(15) . . ?
F6 C23 C24 113.1(16) . . ?
F5 C23 C24 129.7(18) . . ?

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
C42 N5 C38 C39 0.9(10) . . . . ?
Dy1 N5 C38 C39 175.7(5) . . . . ?
C42 N5 C38 C37 179.6(7) . . . . ?
Dy1 N5 C38 C37 -5.7(8) . . . . ?
Dy3 O18 C29 C30 -39(2) . . . . ?
Dy3 O18 C29 C28 166.9(9) . . . . ?
Dy2 O2 N2 C43 -89.0(9) . . . . ?
Dy2 O2 N2 C44 102.2(7) . . . . ?
C38 N5 C42 C41 0.3(12) . . . . ?
Dy1 N5 C42 C41 -174.5(7) . . . . ?
C40 C41 C42 N5 0.3(14) . . . . ?
Dy3 O17 C31 C30 15(2) . . . . ?
Dy3 O17 C31 C32 -169.9(12) . . . . ?
C42 C41 C40 C39 -2.1(12) . . . . ?
C42 C41 C40 C43 -179.6(7) . . . . ?
C33 N6 C37 C36 1.2(13) . . . . ?
Dy1 N6 C37 C36 178.7(7) . . . . ?
C33 N6 C37 C38 -178.5(8) . . . . ?
Dy1 N6 C37 C38 -1.0(9) . . . . ?
N5 C38 C37 N6 4.3(9) . . . . ?
C39 C38 C37 N6 -177.0(6) . . . . ?
N5 C38 C37 C36 -175.4(8) . . . . ?
C39 C38 C37 C36 3.3(11) . . . . ?
C4 C3 C2 C1 3(2) . . . . ?
N8 C1 C2 C3 -3.3(19) . . . . ?
Dy3 O20 C24 C23 -164.9(10) . . . . ?
Dy3 O20 C24 C25 17(3) . . . . ?
Dy1 O12 C56 C57 18.9(12) . . . . ?
Dy1 O12 C56 C55 -161.1(6) . . . . ?
F20 C55 C56 O12 47.0(13) . . . . ?
F21 C55 C56 O12 169.2(9) . . . . ?
F19 C55 C56 O12 -74.9(11) . . . . ?
F20 C55 C56 C57 -133.0(10) . . . . ?
F21 C55 C56 C57 -10.9(13) . . . . ?
F19 C55 C56 C57 105.1(10) . . . . ?
C41 C40 C39 C38 3.3(10) . . . . ?
C43 C40 C39 C38 -179.3(6) . . . . ?
N5 C38 C39 C40 -2.7(10) . . . . ?
C37 C38 C39 C40 178.7(6) . . . . ?
Dy2 O3 N3 C11 -92.0(9) . . . . ?
Dy2 O3 N3 C12 103.5(8) . . . . ?
C10 N7 C6 C7 -2.3(15) . . . . ?
Dy3 N7 C6 C7 -174.3(7) . . . . ?
C10 N7 C6 C5 177.7(9) . . . . ?
Dy3 N7 C6 C5 5.7(11) . . . . ?
Dy3 O19 C26 C25 4(3) . . . . ?
Dy3 O19 C26 C27 -178.1(15) . . . . ?
C6 N7 C10 C9 -1.0(16) . . . . ?
Dy3 N7 C10 C9 170.8(8) . . . . ?
O19 C26 C25 C24 7(3) . . . . ?
C27 C26 C25 C24 -171(2) . . . . ?
O20 C24 C25 C26 -17(3) . . . . ?
C23 C24 C25 C26 164.8(19) . . . . ?
Dy1 O14 C53 C52 -14.7(12) . . . . ?
Dy1 O14 C53 C54 166.7(6) . . . . ?
O2 N2 C43 N1 -178.9(6) . . . . ?
C44 N2 C43 N1 -9.1(8) . . . . ?
O2 N2 C43 C40 -0.2(12) . . . . ?
C44 N2 C43 C40 169.6(7) . . . . ?
C41 C40 C43 N2 149.8(8) . . . . ?
C39 C40 C43 N2 -27.6(11) . . . . ?
C41 C40 C43 N1 -31.7(11) . . . . ?
C39 C40 C43 N1 150.8(7) . . . . ?
Dy2 O8 C78 C77 19.2(15) . . . . ?
Dy2 O8 C78 C79 -166.8(7) . . . . ?
N2 C43 N1 O1 178.2(8) . . . . ?
C40 C43 N1 O1 -0.5(12) . . . . ?
N2 C43 N1 C45 -11.2(9) . . . . ?
C40 C43 N1 C45 170.1(7) . . . . ?
Dy2 O6 C71 C72 21.7(13) . . . . ?
Dy2 O6 C71 C70 -160.0(6) . . . . ?
C12 C13 N4 O4 -156.5(11) . . . . ?
C15 C13 N4 O4 -29.9(19) . . . . ?
C14 C13 N4 O4 86.7(14) . . . . ?
C12 C13 N4 C11 26.6(12) . . . . ?
C15 C13 N4 C11 153.2(12) . . . . ?
C14 C13 N4 C11 -90.3(11) . . . . ?
Dy2 O7 C76 C77 -11.7(17) . . . . ?
Dy2 O7 C76 C75 167.9(8) . . . . ?
O1 N1 C45 C46 78.5(10) . . . . ?
C43 N1 C45 C46 -92.3(9) . . . . ?
O1 N1 C45 C47 -42.2(13) . . . . ?
C43 N1 C45 C47 146.9(10) . . . . ?
O1 N1 C45 C44 -163.8(8) . . . . ?
C43 N1 C45 C44 25.4(8) . . . . ?
N7 C6 C7 C8 4.8(15) . . . . ?
C5 C6 C7 C8 -175.1(9) . . . . ?
O8 C78 C79 F49 33.2(14) . . . . ?
C77 C78 C79 F49 -152.1(11) . . . . ?
O8 C78 C79 F51 -91.1(11) . . . . ?
C77 C78 C79 F51 83.6(13) . . . . ?
O8 C78 C79 F50 155.1(9) . . . . ?
C77 C78 C79 F50 -30.2(14) . . . . ?
O3 N3 C11 N4 -177.3(8) . . . . ?
C12 N3 C11 N4 -11.6(11) . . . . ?
O3 N3 C11 C8 1.0(14) . . . . ?
C12 N3 C11 C8 166.6(9) . . . . ?
O4 N4 C11 N3 173.0(11) . . . . ?
C13 N4 C11 N3 -10.2(13) . . . . ?
O4 N4 C11 C8 -5.3(19) . . . . ?
C13 N4 C11 C8 171.5(10) . . . . ?
Dy1 O11 C58 C57 -13.6(13) . . . . ?
Dy1 O11 C58 C59 169.3(6) . . . . ?
Dy1 O16 C63 C62 5.0(15) . . . . ?
Dy1 O16 C63 C64 -174.8(7) . . . . ?
N7 C6 C5 N8 -14.5(13) . . . . ?
C7 C6 C5 N8 165.5(9) . . . . ?
N7 C6 C5 C4 168.3(10) . . . . ?
C7 C6 C5 C4 -11.7(16) . . . . ?
Dy1 O13 C51 C52 16.7(14) . . . . ?
Dy1 O13 C51 C50 -167.0(7) . . . . ?
F17 C50 C51 O13 -72.7(14) . . . . ?
F18 C50 C51 O13 47.3(16) . . . . ?
F16 C50 C51 O13 163.7(10) . . . . ?
F17 C50 C51 C52 104.0(15) . . . . ?
F18 C50 C51 C52 -136.1(13) . . . . ?
F16 C50 C51 C52 -19.6(15) . . . . ?
N6 C37 C36 C35 -1.7(16) . . . . ?
C38 C37 C36 C35 178.0(10) . . . . ?
Dy1 O15 C61 C62 0.6(19) . . . . ?
Dy1 O15 C61 C60 -176.3(9) . . . . ?
F25 C60 C61 O15 -178.6(13) . . . . ?
F27 C60 C61 O15 -59.6(16) . . . . ?
F26 C60 C61 O15 55.4(16) . . . . ?
F25 C60 C61 C62 4(2) . . . . ?
F27 C60 C61 C62 123.2(13) . . . . ?
F26 C60 C61 C62 -121.8(13) . . . . ?
C37 N6 C33 C34 -1.1(16) . . . . ?
Dy1 N6 C33 C34 -178.7(9) . . . . ?
Dy2 O9 C66 C67 1(2) . . . . ?
Dy2 O9 C66 C65 -171.5(8) . . . . ?
O6 C71 C70 F41 -149.1(10) . . . . ?
C72 C71 C70 F41 29.4(14) . . . . ?
O6 C71 C70 F40 -24.4(11) . . . . ?
C72 C71 C70 F40 154.1(8) . . . . ?
O6 C71 C70 F42 89.8(10) . . . . ?
C72 C71 C70 F42 -91.7(10) . . . . ?
O13 C51 C52 C53 -0.5(15) . . . . ?
C50 C51 C52 C53 -176.5(9) . . . . ?
O14 C53 C52 C51 -0.7(14) . . . . ?
C54 C53 C52 C51 178.0(9) . . . . ?
O15 C61 C62 C63 2.5(19) . . . . ?
C60 C61 C62 C63 179.2(11) . . . . ?
O16 C63 C62 C61 -5.4(17) . . . . ?
C64 C63 C62 C61 174.4(11) . . . . ?
C2 C1 N8 C5 2.0(16) . . . . ?
C2 C1 N8 Dy3 168.3(9) . . . . ?
C4 C5 N8 C1 0.0(15) . . . . ?
C6 C5 N8 C1 -177.3(9) . . . . ?
C4 C5 N8 Dy3 -166.0(8) . . . . ?
C6 C5 N8 Dy3 16.7(12) . . . . ?
C37 C36 C35 C34 2.0(19) . . . . ?
O11 C58 C59 F23 -41.4(17) . . . . ?
C57 C58 C59 F23 141.1(13) . . . . ?
O11 C58 C59 F24 80.6(14) . . . . ?
C57 C58 C59 F24 -96.9(15) . . . . ?
O11 C58 C59 F22 -178.7(13) . . . . ?
C57 C58 C59 F22 3.8(17) . . . . ?
O11 C58 C59 F22A -141.4(14) . . . . ?
C57 C58 C59 F22A 41.1(15) . . . . ?
O12 C56 C57 C58 6.7(13) . . . . ?
C55 C56 C57 C58 -173.3(8) . . . . ?
O11 C58 C57 C56 -9.8(14) . . . . ?
C59 C58 C57 C56 167.2(8) . . . . ?
O2 N2 C44 C45 -165.4(6) . . . . ?
C43 N2 C44 C45 24.3(8) . . . . ?
O2 N2 C44 C48 -44.4(10) . . . . ?
C43 N2 C44 C48 145.4(8) . . . . ?
O2 N2 C44 C49 73.7(9) . . . . ?
C43 N2 C44 C49 -96.6(9) . . . . ?
N1 C45 C44 N2 -27.3(7) . . . . ?
C46 C45 C44 N2 84.2(8) . . . . ?
C47 C45 C44 N2 -145.1(8) . . . . ?
N1 C45 C44 C48 -144.2(7) . . . . ?
C46 C45 C44 C48 -32.6(10) . . . . ?
C47 C45 C44 C48 98.0(9) . . . . ?
N1 C45 C44 C49 84.3(8) . . . . ?
C46 C45 C44 C49 -164.1(8) . . . . ?
C47 C45 C44 C49 -33.4(11) . . . . ?
N7 C10 C9 C8 1.6(17) . . . . ?
C6 C7 C8 C9 -4.0(15) . . . . ?
C6 C7 C8 C11 172.5(9) . . . . ?
C10 C9 C8 C7 1.0(15) . . . . ?
C10 C9 C8 C11 -175.5(9) . . . . ?
N3 C11 C8 C7 160.1(9) . . . . ?
N4 C11 C8 C7 -22.0(15) . . . . ?
N3 C11 C8 C9 -23.5(15) . . . . ?
N4 C11 C8 C9 154.4(10) . . . . ?
O8 C78 C77 C76 -3.3(18) . . . . ?
C79 C78 C77 C76 -177.0(10) . . . . ?
O7 C76 C77 C78 -0.5(19) . . . . ?
C75 C76 C77 C78 179.9(11) . . . . ?
O9 C66 C67 C68 4(3) . . . . ?
C65 C66 C67 C68 176.3(14) . . . . ?
Dy2 O5 C73 C72 -10.6(15) . . . . ?
Dy2 O5 C73 C74 164.2(7) . . . . ?
F44 C74 C73 O5 -87.2(12) . . . . ?
F45 C74 C73 O5 42.1(15) . . . . ?
F43A C74 C73 O5 175.3(16) . . . . ?
F43 C74 C73 O5 142.5(10) . . . . ?
F44 C74 C73 C72 88.1(14) . . . . ?
F45 C74 C73 C72 -142.5(11) . . . . ?
F43A C74 C73 C72 -9(2) . . . . ?
F43 C74 C73 C72 -42.1(14) . . . . ?
C36 C35 C34 C33 -2(2) . . . . ?
N6 C33 C34 C35 1.5(19) . . . . ?
N4 C13 C12 N3 -29.2(9) . . . . ?
C15 C13 C12 N3 -151.3(9) . . . . ?
C14 C13 C12 N3 82.3(9) . . . . ?
N4 C13 C12 C16 -148.1(9) . . . . ?
C15 C13 C12 C16 89.9(13) . . . . ?
C14 C13 C12 C16 -36.5(12) . . . . ?
N4 C13 C12 C17 81.9(11) . . . . ?
C15 C13 C12 C17 -40.1(13) . . . . ?
C14 C13 C12 C17 -166.5(9) . . . . ?
O3 N3 C12 C13 -166.2(7) . . . . ?
C11 N3 C12 C13 27.2(9) . . . . ?
O3 N3 C12 C16 -41.6(11) . . . . ?
C11 N3 C12 C16 151.7(9) . . . . ?
O3 N3 C12 C17 73.6(10) . . . . ?
C11 N3 C12 C17 -93.0(10) . . . . ?
Dy2 O10 C68 C67 9.8(19) . . . . ?
Dy2 O10 C68 C69 -171.3(7) . . . . ?
C66 C67 C68 O10 -10(2) . . . . ?
C66 C67 C68 C69 171.5(13) . . . . ?
F52 C69 C68 O10 149.6(19) . . . . ?
F52A C69 C68 O10 -172.0(16) . . . . ?
F54 C69 C68 O10 14.2(17) . . . . ?
F53 C69 C68 O10 -77.0(13) . . . . ?
F54A C69 C68 O10 61.9(17) . . . . ?
F52 C69 C68 C67 -31(2) . . . . ?
F52A C69 C68 C67 7(2) . . . . ?
F54 C69 C68 C67 -166.8(14) . . . . ?
F53 C69 C68 C67 102.0(14) . . . . ?
F54A C69 C68 C67 -119.1(17) . . . . ?
N8 C5 C4 C3 -0.7(18) . . . . ?
C6 C5 C4 C3 176.4(11) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
O5 C73 C72 C71 -3.7(16) . . . . ?
C74 C73 C72 C71 -178.2(10) . . . . ?
O6 C71 C72 C73 -1.9(15) . . . . ?
C70 C71 C72 C73 179.7(9) . . . . ?
O14 C53 C54 F14 129.7(10) . . . . ?
C52 C53 C54 F14 -49.1(13) . . . . ?
O14 C53 C54 F13 -105.1(11) . . . . ?
C52 C53 C54 F13 76.1(12) . . . . ?
O14 C53 C54 F15 13.3(12) . . . . ?
C52 C53 C54 F15 -165.5(8) . . . . ?
O9 C66 C65 F37 -35.9(19) . . . . ?
C67 C66 C65 F37 150.4(15) . . . . ?
O9 C66 C65 F38 -166.7(13) . . . . ?
C67 C66 C65 F38 20(2) . . . . ?
O9 C66 C65 F39 71.7(13) . . . . ?
C67 C66 C65 F39 -101.9(14) . . . . ?
O16 C63 C64 F30 155.8(12) . . . . ?
C62 C63 C64 F30 -24.1(18) . . . . ?
O16 C63 C64 F28 -27.9(17) . . . . ?
C62 C63 C64 F28 152.2(12) . . . . ?
O16 C63 C64 F28A -102.0(14) . . . . ?
C62 C63 C64 F28A 78.2(15) . . . . ?
O16 C63 C64 F29 58.6(12) . . . . ?
C62 C63 C64 F29 -121.3(10) . . . . ?
F46 F47 C75 F48 -82(4) . . . . ?
F46 F47 C75 C76 106.5(15) . . . . ?
F47 F46 C75 F48 140(3) . . . . ?
F47 F46 C75 C76 -108(3) . . . . ?
O7 C76 C75 F47A -178.7(15) . . . . ?
C77 C76 C75 F47A 1(2) . . . . ?
O7 C76 C75 F47 -126(3) . . . . ?
C77 C76 C75 F47 54(3) . . . . ?
O7 C76 C75 F48 60.4(14) . . . . ?
C77 C76 C75 F48 -120.0(12) . . . . ?
O7 C76 C75 F46 -44.0(16) . . . . ?
C77 C76 C75 F46 135.6(12) . . . . ?
O17 C31 C30 C29 0(3) . . . . ?
C32 C31 C30 C29 -175.2(18) . . . . ?
O18 C29 C30 C31 13(3) . . . . ?
C28 C29 C30 C31 165.6(17) . . . . ?
O19 C26 C27 F2 -99(3) . . . . ?
C25 C26 C27 F2 79(3) . . . . ?
O19 C26 C27 F3 37(3) . . . . ?
C25 C26 C27 F3 -145(2) . . . . ?
O19 C26 C27 F1 129(2) . . . . ?
C25 C26 C27 F1 -53(3) . . . . ?
O18 C29 C28 F35 54(2) . . . . ?
C30 C29 C28 F35 -101(2) . . . . ?
O18 C29 C28 F36 -159.8(14) . . . . ?
C30 C29 C28 F36 45(2) . . . . ?
O18 C29 C28 F36A -63.4(16) . . . . ?
C30 C29 C28 F36A 141.5(17) . . . . ?
O18 C29 C28 F34 131.4(14) . . . . ?
C30 C29 C28 F34 -23.7(16) . . . . ?
O17 C31 C32 F33 158(2) . . . . ?
C30 C31 C32 F33 -27(3) . . . . ?
O17 C31 C32 F32 -57(3) . . . . ?
C30 C31 C32 F32 118(2) . . . . ?
O17 C31 C32 F31 53(2) . . . . ?
C30 C31 C32 F31 -132(2) . . . . ?
C21 C20 C19 O22 -16(5) . . . . ?
C21 C20 C19 C18 166(4) . . . . ?
Dy3 O22 C19 C20 0(4) . . . . ?
Dy3 O22 C19 C18 178.7(12) . . . . ?
F12 C18 C19 C20 -100(6) . . . . ?
F11 C18 C19 C20 123(5) . . . . ?
F10 C18 C19 C20 7(6) . . . . ?
F12 C18 C19 O22 82(2) . . . . ?
F11 C18 C19 O22 -55(3) . . . . ?
F10 C18 C19 O22 -172(2) . . . . ?
Dy3 O21 C21 C20 -34(4) . . . . ?
Dy3 O21 C21 C22 -176.9(18) . . . . ?
C19 C20 C21 O21 36(5) . . . . ?
C19 C20 C21 C22 -176(3) . . . . ?
F7 C22 C21 O21 76(4) . . . . ?
F9 C22 C21 O21 -156(3) . . . . ?
F8 C22 C21 O21 -46(4) . . . . ?
F7 C22 C21 C20 -76(3) . . . . ?
F9 C22 C21 C20 53(3) . . . . ?
F8 C22 C21 C20 162(2) . . . . ?
O20 C24 C23 F4 -172.0(17) . . . . ?
C25 C24 C23 F4 6(3) . . . . ?
O20 C24 C23 F6 -65(2) . . . . ?
C25 C24 C23 F6 112.9(19) . . . . ?
O20 C24 C23 F5 36(3) . . . . ?
C25 C24 C23 F5 -145.7(19) . . . . ?

_refine_diff_density_max         2.007
_refine_diff_density_min         -1.698
_refine_diff_density_rms         0.164



####################################################################### 
# 
# 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_sq
_database_code_depnum_ccdc_archive 'CCDC 2371970'
loop_
_audit_author_name
_audit_author_address
'Hongdao Li'
;Taiyuan Institute of Technology
China
;
_audit_update_record             
;
2024-07-19 deposited with the CCDC.	2024-10-18 downloaded from the CCDC.
;
_audit_creation_date             2024-06-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C75 H51 Dy3 F54 N12 O22'
_chemical_formula_sum            'C75 H51 Dy3 F54 N12 O22'
_chemical_formula_weight         2985.77
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   21.6876(11)
_cell_length_b                   20.3917(12)
_cell_length_c                   28.1940(17)
_cell_angle_alpha                90
_cell_angle_beta                 98.918(2)
_cell_angle_gamma                90
_cell_volume                     12318.0(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6531
_cell_measurement_temperature    223.00
_cell_measurement_theta_max      20.28
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   0.829
_shelx_estimated_absorpt_T_min   0.786
_exptl_absorpt_coefficient_mu    1.943
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1054 before and 0.0780 after correction.
The Ratio of minimum to maximum transmission is 0.8418.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5780
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1393
_diffrn_reflns_av_unetI/netI     0.0909
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            119355
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.114
_diffrn_ambient_temperature      223.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13675
_reflns_number_total             21193
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.953
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.150
_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     1617
_refine_ls_number_reflns         21193
_refine_ls_number_restraints     434
_refine_ls_R_factor_all          0.1166
_refine_ls_R_factor_gt           0.0711
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0370P)²+131.4792P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1651
_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
 C66-C67
 1.52 with sigma of 0.02
 F7-F113 \\sim F7-F103 \\sim F113-F103
 with sigma of 0.04
 C55-F7 \\sim C55-F113 \\sim C55-F103
 with sigma of 0.02
 F115-F29 \\sim F115-F59 \\sim F29-F59
 with sigma of 0.04
 F131-F123 \\sim F131-F51 \\sim F131-C59 \\sim F123-F51 \\sim F123-C59
 with sigma of 0.04
 C60-F131 \\sim C60-F123
 with sigma of 0.02
 F131-F123 \\sim F131-F51 \\sim F123-F51 \\sim F85-F173 \\sim F85-F11 \\sim
F173-F11
 with sigma of 0.04
 C60-F131 \\sim C60-F123 \\sim C60-F51 \\sim C60-F85 \\sim C60-F173 \\sim
C60-F11
 with sigma of 0.02
 F84-F125 \\sim F84-F160 \\sim F125-F160 \\sim F87-F175 \\sim F87-F143 \\sim
F175-F143
 with sigma of 0.04
 C65-F84 \\sim C65-F125 \\sim C65-F87 \\sim C65-F175 \\sim C65-F143 \\sim
C65-F160
 with sigma of 0.02
 F13-F105 \\sim F13-F2 \\sim F105-F2 \\sim F171-F43 \\sim F171-F169 \\sim
F43-F169
 with sigma of 0.04
 C66-F13 \\sim C66-F105 \\sim C66-F2 \\sim C66-F171 \\sim C66-F43 \\sim C66-F169
 with sigma of 0.02
3. Rigid bond restraints
 C68, C67, O6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C55 \\sim F115 \\sim F59 \\sim F29: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
O5 \\sim C69 \\sim C68 \\sim C70 \\sim F27 \\sim F119 \\sim F127: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C5) \\sim Ueq, Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C67) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F105) \\sim Ueq, Uanis(F2)
\\sim Ueq, Uanis(C66) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C67) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(F171) \\sim Ueq, Uanis(F43)
\\sim Ueq, Uanis(F169) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(N6) \\sim Ueq, Uanis(O1) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 F59, F115, F29, C54
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F7, F113, C55, F103, C54
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C60, F173, F11, F85, C59
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F51, C60, F131, F123
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F160, C64, F84, C65, F125
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C64, C65, F175, F143, F87
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C67, C66, F2, F105, F13
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C67, C66, F43, F171, F169
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
6. Others
 Sof(F115)=Sof(F29)=Sof(F59)=1-FVAR(1)
 Sof(F7)=Sof(F113)=Sof(F103)=FVAR(1)
 Sof(F85)=Sof(F173)=Sof(F11)=1-FVAR(2)
 Sof(F131)=Sof(F123)=Sof(F51)=FVAR(2)
 Sof(F87)=Sof(F175)=Sof(F143)=1-FVAR(3)
 Sof(F160)=Sof(F84)=Sof(F125)=FVAR(3)
 Sof(F171)=Sof(F43)=Sof(F169)=1-FVAR(4)
 Sof(F13)=Sof(F105)=Sof(F2)=FVAR(4)
7.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C20(H20A,H20B)
7.b Aromatic/amide H refined with riding coordinates:
 C23(H23), C21(H21), C3(H3), C17(H17), C6(H6), C8(H8), C18(H18), C2(H2),
 C43(H43), C63(H63), C73(H73), C33(H33), C58(H58), C48(H48), C38(H38), C53(H53),
  C68(H68)
7.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C1(H1A,H1B,H1C), C30(H30A,H30B,H30C), C16(H16A,H16B,
 H16C), C29(H29A,H29B,H29C), C12(H12A,H12B,H12C), C27(H27A,H27B,H27C), C13(H13A,
 H13B,H13C), C28(H28A,H28B,H28C), C14(H14A,H14B,H14C)
;
_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
Dy2 Dy 0.50062(2) 0.67589(2) 0.21251(2) 0.03505(13) Uani 1 1 d . . . . .
Dy1 Dy 0.47157(2) 1.10448(2) 0.12487(2) 0.03540(13) Uani 1 1 d . . . . .
Dy3 Dy 0.53505(2) 0.34096(2) 0.40586(2) 0.03774(13) Uani 1 1 d . . . . .
O10 O 0.4652(3) 0.3968(3) 0.4468(2) 0.0434(17) Uani 1 1 d . . . . .
O20 O 0.5685(3) 1.1010(3) 0.1764(2) 0.0444(17) Uani 1 1 d . . . . .
O12 O 0.4273(3) 0.7171(3) 0.1522(3) 0.0461(18) Uani 1 1 d . . . . .
O16 O 0.5769(3) 0.5937(3) 0.2242(3) 0.0437(17) Uani 1 1 d . . . . .
O7 O 0.5534(3) 0.3200(4) 0.3276(2) 0.0461(18) Uani 1 1 d . . . . .
O18 O 0.5223(4) 1.2026(4) 0.1135(3) 0.0499(19) Uani 1 1 d . . . . .
O21 O 0.5393(3) 1.0732(3) 0.0719(2) 0.0389(16) Uani 1 1 d . . . . .
O19 O 0.4511(3) 1.0930(3) 0.2039(2) 0.0433(17) Uani 1 1 d . . . . .
O13 O 0.5605(3) 0.6876(3) 0.2895(2) 0.0422(17) Uani 1 1 d . . . . .
O22 O 0.4275(3) 1.1365(3) 0.0462(2) 0.0436(17) Uani 1 1 d . . . . .
O1 O 0.4357(3) 0.6511(3) 0.2691(2) 0.0420(17) Uani 1 1 d . U . . .
O14 O 0.4687(3) 0.7766(3) 0.2465(3) 0.0452(18) Uani 1 1 d . . . . .
O17 O 0.4013(3) 1.1888(3) 0.1329(3) 0.0474(18) Uani 1 1 d . . . . .
O9 O 0.5786(3) 0.3451(4) 0.4876(2) 0.0506(19) Uani 1 1 d . . . . .
N4 N 0.5384(4) 0.4909(4) 0.3394(3) 0.041(2) Uani 1 1 d . . . . .
O15 O 0.4498(4) 0.5744(4) 0.1933(3) 0.056(2) Uani 1 1 d . . . . .
O11 O 0.5279(4) 0.6422(4) 0.1371(3) 0.057(2) Uani 1 1 d . . . . .
O3 O 0.5636(3) 0.7584(3) 0.1927(3) 0.055(2) Uani 1 1 d . . . . .
F66 F 0.4051(4) 1.0356(4) 0.2791(3) 0.091(3) Uani 1 1 d . . . . .
N9 N 0.4606(4) 0.9332(4) 0.1521(3) 0.037(2) Uani 1 1 d . . . . .
N11 N 0.6123(4) 0.7914(4) 0.1854(3) 0.039(2) Uani 1 1 d . . . . .
N3 N 0.5015(4) 0.4479(4) 0.3612(3) 0.042(2) Uani 1 1 d . . . . .
O4 O 0.6836(4) 0.9263(3) 0.1487(3) 0.060(2) Uani 1 1 d . . . . .
N8 N 0.3724(4) 1.0424(4) 0.1082(3) 0.040(2) Uani 1 1 d . . . . .
N7 N 0.2990(4) 0.9678(4) 0.1060(3) 0.046(2) Uani 1 1 d . . . . .
F34 F 0.4324(4) 1.2068(4) -0.0652(3) 0.096(3) Uani 1 1 d . . . . .
N10 N 0.4968(4) 0.9831(4) 0.1392(3) 0.039(2) Uani 1 1 d . . . . .
N6 N 0.3865(4) 0.6194(4) 0.2772(3) 0.039(2) Uani 1 1 d . U . . .
O2 O 0.3120(4) 0.5015(4) 0.3323(3) 0.074(3) Uani 1 1 d . . . . .
N2 N 0.6298(4) 0.4092(4) 0.4087(3) 0.038(2) Uani 1 1 d . . . . .
N12 N 0.6685(4) 0.8709(4) 0.1637(3) 0.038(2) Uani 1 1 d . . . . .
N1 N 0.6983(4) 0.4848(4) 0.3962(3) 0.044(2) Uani 1 1 d . . . . .
O8 O 0.4379(4) 0.3186(4) 0.3591(3) 0.057(2) Uani 1 1 d . . . . .
F37 F 0.6018(4) 0.2499(4) 0.2596(3) 0.100(3) Uani 1 1 d . . . . .
O5 O 0.6104(4) 0.2593(4) 0.4138(3) 0.071(2) Uani 1 1 d . U . . .
F165 F 0.4098(5) 1.1371(4) 0.2866(3) 0.103(3) Uani 1 1 d . . . . .
F19 F 0.3113(4) 0.7445(5) 0.1069(3) 0.112(3) Uani 1 1 d . . . . .
F147 F 0.6759(4) 0.5514(4) 0.1788(4) 0.103(3) Uani 1 1 d . . . . .
F149 F 0.5858(5) 0.3470(5) 0.2387(3) 0.109(3) Uani 1 1 d . . . . .
F75 F 0.3256(5) 1.3321(4) 0.0934(4) 0.127(4) Uani 1 1 d . . . . .
F151 F 0.6793(4) 0.5142(6) 0.2484(3) 0.116(4) Uani 1 1 d . . . . .
F77 F 0.6761(4) 1.1127(6) 0.2775(3) 0.119(4) Uani 1 1 d . . . . .
F153 F 0.5972(5) 0.6426(5) 0.3794(3) 0.104(3) Uani 1 1 d . . . . .
C62 C 0.5195(5) 0.3044(5) 0.2893(4) 0.044(3) Uani 1 1 d . . . . .
F157 F 0.4805(5) 0.9152(4) 0.2695(4) 0.116(4) Uani 1 1 d . . . . .
C23 C 0.4939(4) 0.8788(5) 0.1633(4) 0.038(2) Uani 1 1 d . . . . .
H23 H 0.4788 0.8389 0.1736 0.046 Uiso 1 1 calc R . . . .
F79 F 0.3782(5) 1.2327(5) -0.0121(3) 0.118(4) Uani 1 1 d . . . . .
F159 F 0.3726(4) 0.8151(5) 0.0880(4) 0.106(3) Uani 1 1 d . . . . .
C42 C 0.4482(5) 1.1456(5) 0.0080(4) 0.040(2) Uani 1 1 d . . . . .
N5 N 0.3281(4) 0.5500(5) 0.3091(3) 0.052(2) Uani 1 1 d . . . . .
F140 F 0.3834(5) 0.4832(5) 0.4680(4) 0.122(4) Uani 1 1 d . . . . .
F156 F 0.3926(5) 0.8701(4) 0.2671(4) 0.111(3) Uani 1 1 d . . . . .
F138 F 0.3614(5) 1.1446(5) -0.0513(4) 0.143(5) Uani 1 1 d . . . . .
C21 C 0.5533(5) 0.9577(5) 0.1416(4) 0.038(2) Uani 1 1 d . . . . .
H21 H 0.5882 0.9807 0.1341 0.046 Uiso 1 1 calc R . . . .
C22 C 0.5547(4) 0.8916(4) 0.1569(3) 0.033(2) Uani 1 1 d . . . . .
C3 C 0.6811(4) 0.4061(5) 0.4436(4) 0.040(2) Uani 1 1 d . . . . .
H3 H 0.6863 0.3761 0.4693 0.048 Uiso 1 1 calc R . . . .
F144 F 0.6037(5) 1.3041(5) 0.1244(4) 0.129(4) Uani 1 1 d . . . . .
O6 O 0.4933(5) 0.2505(5) 0.4406(4) 0.082(3) Uani 1 1 d . U . . .
F150 F 0.6501(4) 0.4534(4) 0.1884(4) 0.115(4) Uani 1 1 d . . . . .
C4 C 0.6424(5) 0.4576(5) 0.3799(4) 0.038(2) Uani 1 1 d . U . . .
F154 F 0.6082(5) 1.0686(6) -0.0301(3) 0.141(5) Uani 1 1 d . . . . .
C7 C 0.4428(4) 0.5290(5) 0.3239(3) 0.035(2) Uani 1 1 d . . . . .
F160 F 0.3325(7) 0.2508(7) 0.2712(6) 0.092(3) Uani 0.573(11) 1 d D U P A 1
C17 C 0.2761(5) 1.0177(6) 0.0764(4) 0.049(3) Uani 1 1 d . . . . .
H17 H 0.2359 1.0201 0.0583 0.059 Uiso 1 1 calc R . . . .
F164 F 0.5243(4) 0.2714(7) 0.2089(3) 0.156(6) Uani 1 1 d . . . . .
C6 C 0.5024(5) 0.5395(5) 0.3171(4) 0.043(3) Uani 1 1 d . . . . .
H6 H 0.5164 0.5745 0.2999 0.052 Uiso 1 1 calc R . . . .
F71 F 0.6183(5) 1.0040(5) 0.0280(4) 0.136(5) Uani 1 1 d . . . . .
F69 F 0.5365(5) 1.3670(4) 0.0857(4) 0.134(4) Uani 1 1 d . . . . .
C9 C 0.3880(5) 0.5657(5) 0.3037(4) 0.043(3) Uani 1 1 d . . . . .
F9 F 0.3528(5) 0.3972(6) 0.4904(6) 0.171(6) Uani 1 1 d . . . . .
C5 C 0.6017(4) 0.4760(5) 0.3342(3) 0.037(2) Uani 1 1 d . U . . .
H5A H 0.6199 0.5142 0.3205 0.044 Uiso 1 1 calc R . . . .
H5B H 0.6016 0.4397 0.3114 0.044 Uiso 1 1 calc R . . . .
C8 C 0.4450(5) 0.4716(5) 0.3520(4) 0.045(3) Uani 1 1 d . . . . .
H8 H 0.4101 0.4527 0.3628 0.054 Uiso 1 1 calc R . . . .
F35 F 0.5990(6) 0.7385(6) 0.4065(3) 0.139(5) Uani 1 1 d . . . . .
C20 C 0.3974(5) 0.9452(5) 0.1625(4) 0.044(3) Uani 1 1 d . . . . .
H20A H 0.4002 0.9684 0.1932 0.053 Uiso 1 1 calc R . . . .
H20B H 0.3769 0.9030 0.1659 0.053 Uiso 1 1 calc R . . . .
F17 F 0.4787(5) 1.0762(8) 0.3270(3) 0.168(6) Uani 1 1 d . . . . .
F133 F 0.5750(5) 0.3341(7) 0.6087(3) 0.145(5) Uani 1 1 d . . . . .
C18 C 0.3206(4) 1.0625(5) 0.0776(4) 0.043(3) Uani 1 1 d . . . . .
H18 H 0.3171 1.1019 0.0601 0.052 Uiso 1 1 calc R . . . .
C44 C 0.5458(5) 1.0891(5) 0.0301(4) 0.043(3) Uani 1 1 d . . . . .
F67 F 0.5741(5) 1.2886(5) 0.0516(4) 0.122(4) Uani 1 1 d . . . . .
F135 F 0.6624(5) 0.7085(6) 0.3608(3) 0.122(4) Uani 1 1 d . . . . .
C15 C 0.3204(5) 0.7090(6) 0.2951(5) 0.066(4) Uani 1 1 d . . . . .
H15A H 0.2795 0.7292 0.2884 0.098 Uiso 1 1 calc GR . . . .
H15B H 0.3518 0.7402 0.2885 0.098 Uiso 1 1 calc GR . . . .
H15C H 0.3287 0.6960 0.3286 0.098 Uiso 1 1 calc GR . . . .
C2 C 0.7236(5) 0.4524(6) 0.4361(4) 0.052(3) Uani 1 1 d . . . . .
H2 H 0.7626 0.4602 0.4548 0.063 Uiso 1 1 calc R . . . .
C1 C 0.7288(5) 0.5382(5) 0.3741(4) 0.054(3) Uani 1 1 d . . . . .
H1A H 0.7455 0.5217 0.3464 0.081 Uiso 1 1 calc GR . . . .
H1B H 0.7624 0.5560 0.3972 0.081 Uiso 1 1 calc GR . . . .
H1C H 0.6985 0.5725 0.3639 0.081 Uiso 1 1 calc GR . . . .
C19 C 0.3583(5) 0.9847(5) 0.1242(4) 0.038(2) Uani 1 1 d . . . . .
C24 C 0.6099(5) 0.8509(5) 0.1682(4) 0.038(2) Uani 1 1 d . . . . .
C57 C 0.5791(6) 0.5376(5) 0.2059(4) 0.044(3) Uani 1 1 d . . . . .
C72 C 0.4602(5) 0.4033(6) 0.4901(4) 0.048(3) Uani 1 1 d . . . . .
F45 F 0.4492(6) 0.8869(5) 0.3350(3) 0.151(5) Uani 1 1 d . . . . .
C74 C 0.5573(5) 0.3560(6) 0.5252(4) 0.052(3) Uani 1 1 d . . . . .
C10 C 0.3222(5) 0.6494(5) 0.2637(4) 0.044(3) Uani 1 1 d . . . . .
C39 C 0.5852(5) 1.0954(5) 0.2199(4) 0.045(3) Uani 1 1 d . . . . .
F89 F 0.2886(5) 1.2373(5) 0.0958(5) 0.143(5) Uani 1 1 d . . . . .
C43 C 0.5065(5) 1.1253(6) -0.0027(4) 0.051(3) Uani 1 1 d . . . . .
H43 H 0.5185 1.1366 -0.0323 0.061 Uiso 1 1 calc R . . . .
F97 F 0.6866(4) 1.1235(8) 0.2069(4) 0.158(6) Uani 1 1 d . . . . .
F91 F 0.3413(5) 0.7400(6) 0.0394(3) 0.144(5) Uani 1 1 d . . . . .
F49 F 0.6748(5) 1.0312(6) 0.2338(5) 0.165(6) Uani 1 1 d . . . . .
C63 C 0.4572(6) 0.2950(6) 0.2804(5) 0.062(3) Uani 1 1 d . . . . .
H63 H 0.4382 0.2819 0.2496 0.074 Uiso 1 1 calc R . . . .
C36 C 0.4458(6) 1.0844(9) 0.2867(5) 0.072(4) Uani 1 1 d . . . . .
C64 C 0.4207(6) 0.3044(7) 0.3163(6) 0.083(3) Uani 1 1 d . U . . .
F95 F 0.6263(7) 0.2839(7) 0.5691(4) 0.190(8) Uani 1 1 d . . . . .
C54 C 0.5014(8) 0.6428(8) 0.0952(5) 0.082(3) Uani 1 1 d . U . . .
C47 C 0.4842(6) 0.8021(5) 0.2866(4) 0.052(3) Uani 1 1 d . . . . .
C26 C 0.7164(5) 0.8238(5) 0.1890(4) 0.047(3) Uani 1 1 d . . . . .
C71 C 0.3997(7) 0.4364(8) 0.4981(5) 0.068(4) Uani 1 1 d . . . . .
C34 C 0.5027(6) 1.2584(6) 0.1035(4) 0.053(3) Uani 1 1 d . . . . .
C41 C 0.4037(6) 1.1820(7) -0.0301(4) 0.059(3) Uani 1 1 d . . . . .
C59 C 0.4681(7) 0.5171(7) 0.1833(6) 0.096(3) Uani 1 1 d D U . . .
C25 C 0.6769(5) 0.7613(5) 0.1918(4) 0.046(3) Uani 1 1 d . . . . .
C30 C 0.6782(5) 0.7139(5) 0.1504(5) 0.062(4) Uani 1 1 d . . . . .
H30A H 0.6448 0.6822 0.1498 0.094 Uiso 1 1 calc GR . . . .
H30B H 0.7180 0.6912 0.1545 0.094 Uiso 1 1 calc GR . . . .
H30C H 0.6727 0.7380 0.1204 0.094 Uiso 1 1 calc GR . . . .
C73 C 0.5006(6) 0.3846(6) 0.5299(4) 0.058(3) Uani 1 1 d . . . . .
H73 H 0.4899 0.3913 0.5606 0.070 Uiso 1 1 calc R . . . .
C52 C 0.4149(6) 0.7105(6) 0.1069(4) 0.055(3) Uani 1 1 d . . . . .
C51 C 0.3585(7) 0.7511(8) 0.0847(5) 0.069(4) Uani 1 1 d . . . . .
F72 F 0.3993(6) 0.4573(7) 0.5406(3) 0.166(6) Uani 1 1 d . . . . .
C33 C 0.4428(6) 1.2826(6) 0.1013(4) 0.057(3) Uani 1 1 d . . . . .
H33 H 0.4334 1.3250 0.0893 0.068 Uiso 1 1 calc R . . . .
C16 C 0.2649(6) 0.9092(5) 0.1155(5) 0.062(3) Uani 1 1 d . . . . .
H16A H 0.2207 0.9193 0.1121 0.093 Uiso 1 1 calc GR . . . .
H16B H 0.2796 0.8941 0.1479 0.093 Uiso 1 1 calc GR . . . .
H16C H 0.2716 0.8752 0.0927 0.093 Uiso 1 1 calc GR . . . .
C37 C 0.4843(6) 1.0890(6) 0.2449(4) 0.051(3) Uani 1 1 d . . . . .
C29 C 0.6888(5) 0.7248(6) 0.2391(4) 0.065(4) Uani 1 1 d . . . . .
H29A H 0.6821 0.7541 0.2649 0.098 Uiso 1 1 calc GR . . . .
H29B H 0.7315 0.7091 0.2446 0.098 Uiso 1 1 calc GR . . . .
H29C H 0.6605 0.6879 0.2380 0.098 Uiso 1 1 calc GR . . . .
C35 C 0.5541(7) 1.3056(7) 0.0905(6) 0.069(4) Uani 1 1 d . . . . .
C49 C 0.5588(6) 0.7255(6) 0.3238(4) 0.053(3) Uani 1 1 d . . . . .
C58 C 0.5311(6) 0.4987(6) 0.1870(5) 0.065(4) Uani 1 1 d . . . . .
H58 H 0.5403 0.4571 0.1758 0.077 Uiso 1 1 calc R . . . .
F84 F 0.3266(7) 0.3550(6) 0.2842(6) 0.097(3) Uani 0.573(11) 1 d D U P A 1
C48 C 0.5227(7) 0.7805(6) 0.3256(5) 0.073(4) Uani 1 1 d . . . . .
H48 H 0.5249 0.8036 0.3547 0.088 Uiso 1 1 calc R . . . .
F116 F 0.3219(5) 1.2869(6) 0.1596(5) 0.148(5) Uani 1 1 d . . . . .
C32 C 0.3979(6) 1.2461(5) 0.1160(4) 0.054(3) Uani 1 1 d . . . . .
C61 C 0.5571(7) 0.2943(8) 0.2473(5) 0.069(4) Uani 1 1 d . . . . .
C12 C 0.2293(5) 0.6100(7) 0.3044(5) 0.068(4) Uani 1 1 d . . . . .
H12A H 0.2018 0.6412 0.2857 0.102 Uiso 1 1 calc GR . . . .
H12B H 0.2473 0.6299 0.3346 0.102 Uiso 1 1 calc GR . . . .
H12C H 0.2057 0.5713 0.3105 0.102 Uiso 1 1 calc GR . . . .
C45 C 0.6056(7) 1.0632(7) 0.0138(5) 0.065(4) Uani 1 1 d . . . . .
F92 F 0.6543(5) 1.0961(7) 0.0358(5) 0.151(5) Uani 1 1 d . . . . .
C38 C 0.5483(5) 1.0899(6) 0.2554(4) 0.057(3) Uani 1 1 d . . . . .
H38 H 0.5675 1.0867 0.2876 0.068 Uiso 1 1 calc R . . . .
F106 F 0.6432(6) 0.3796(8) 0.5822(5) 0.208(9) Uani 1 1 d . . . . .
C11 C 0.2813(5) 0.5906(6) 0.2765(4) 0.054(3) Uani 1 1 d . . . . .
C27 C 0.7397(7) 0.8553(7) 0.2383(5) 0.088(5) Uani 1 1 d . . . . .
H27A H 0.7602 0.8965 0.2337 0.133 Uiso 1 1 calc GR . . . .
H27B H 0.7690 0.8259 0.2572 0.133 Uiso 1 1 calc GR . . . .
H27C H 0.7045 0.8631 0.2550 0.133 Uiso 1 1 calc GR . . . .
C56 C 0.6458(7) 0.5136(6) 0.2049(6) 0.068(4) Uani 1 1 d . . . . .
F119 F 0.6911(7) 0.1582(6) 0.3961(6) 0.184(5) Uani 1 1 d . U . . .
C40 C 0.6564(6) 1.0904(8) 0.2347(5) 0.071(4) Uani 1 1 d . . . . .
F127 F 0.7277(7) 0.2219(8) 0.4499(6) 0.184(5) Uani 1 1 d . U . . .
C65 C 0.3513(7) 0.2969(6) 0.3044(4) 0.092(2) Uani 1 1 d D U . . .
C75 C 0.6010(7) 0.3384(9) 0.5709(5) 0.076(4) Uani 1 1 d . . . . .
C53 C 0.4467(7) 0.6758(7) 0.0779(4) 0.072(4) Uani 1 1 d . . . . .
H53 H 0.4311 0.6739 0.0449 0.086 Uiso 1 1 calc R . . . .
C13 C 0.2554(6) 0.5475(7) 0.2342(5) 0.081(4) Uani 1 1 d . . . . .
H13A H 0.2402 0.5068 0.2459 0.121 Uiso 1 1 calc GR . . . .
H13B H 0.2880 0.5381 0.2152 0.121 Uiso 1 1 calc GR . . . .
H13C H 0.2213 0.5701 0.2144 0.121 Uiso 1 1 calc GR . . . .
C50 C 0.6039(7) 0.7052(8) 0.3681(5) 0.075(4) Uani 1 1 d . . . . .
F131 F 0.4378(8) 0.4103(7) 0.1564(7) 0.117(4) Uani 0.578(10) 1 d D U P B 1
C67 C 0.5170(10) 0.1990(10) 0.4617(8) 0.128(3) Uani 1 1 d D U . . .
F7 F 0.5928(10) 0.6232(11) 0.0637(7) 0.095(3) Uani 0.488(15) 1 d D U P C 1
C31 C 0.3319(8) 1.2760(7) 0.1153(7) 0.080(4) Uani 1 1 d . . . . .
C55 C 0.5344(8) 0.6029(8) 0.0609(5) 0.093(3) Uani 1 1 d D U . . .
C28 C 0.7692(5) 0.8166(7) 0.1592(6) 0.079(4) Uani 1 1 d . . . . .
H28A H 0.7517 0.8129 0.1255 0.119 Uiso 1 1 calc GR . . . .
H28B H 0.7932 0.7775 0.1693 0.119 Uiso 1 1 calc GR . . . .
H28C H 0.7961 0.8548 0.1640 0.119 Uiso 1 1 calc GR . . . .
C46 C 0.4506(9) 0.8683(8) 0.2916(6) 0.088(5) Uani 1 1 d . . . . .
F123 F 0.3720(7) 0.4942(8) 0.1384(7) 0.118(4) Uani 0.578(10) 1 d D U P B 1
F113 F 0.5070(11) 0.6066(12) 0.0157(6) 0.097(4) Uani 0.488(15) 1 d D U P C 1
C14 C 0.3130(6) 0.6672(7) 0.2107(4) 0.074(4) Uani 1 1 d . . . . .
H14A H 0.2699 0.6796 0.2002 0.111 Uiso 1 1 calc GR . . . .
H14B H 0.3232 0.6297 0.1922 0.111 Uiso 1 1 calc GR . . . .
H14C H 0.3401 0.7036 0.2057 0.111 Uiso 1 1 calc GR . . . .
C60 C 0.4178(7) 0.4675(7) 0.1699(5) 0.112(3) Uani 1 1 d D U . . .
F51 F 0.3917(8) 0.4558(7) 0.2114(6) 0.115(4) Uani 0.578(10) 1 d D U P B 1
F103 F 0.5340(11) 0.5395(9) 0.0723(7) 0.095(3) Uani 0.488(15) 1 d D U P C 1
F125 F 0.3172(6) 0.2901(9) 0.3400(5) 0.098(3) Uani 0.573(11) 1 d D U P A 1
F13 F 0.5010(11) 0.1180(12) 0.5208(9) 0.140(4) Uani 0.462(10) 1 d D U P D 1
F27 F 0.6954(6) 0.1298(6) 0.4699(6) 0.199(6) Uani 1 1 d . U . . .
F105 F 0.4340(12) 0.1358(13) 0.4524(7) 0.145(4) Uani 0.462(10) 1 d D U P D 1
C70 C 0.6864(12) 0.1767(12) 0.4410(10) 0.139(4) Uani 1 1 d . U . . .
C68 C 0.5791(10) 0.1770(8) 0.4631(7) 0.121(4) Uani 1 1 d . U . . .
H68 H 0.5936 0.1408 0.4823 0.146 Uiso 1 1 calc R . . . .
C69 C 0.6181(9) 0.2080(8) 0.4369(7) 0.105(3) Uani 1 1 d . U . . .
F2 F 0.4349(13) 0.2031(11) 0.5130(9) 0.141(4) Uani 0.462(10) 1 d D U P D 1
C66 C 0.4707(8) 0.1640(8) 0.4917(6) 0.140(3) Uani 1 1 d D U . . .
F115 F 0.5460(11) 0.6405(11) 0.0234(7) 0.112(6) Uani 0.512(15) 1 d D U P C 2
F29 F 0.5885(10) 0.5792(13) 0.0781(7) 0.115(7) Uani 0.512(15) 1 d D U P C 2
F59 F 0.5021(11) 0.5570(11) 0.0400(10) 0.130(7) Uani 0.512(15) 1 d D U P C 2
F85 F 0.4315(11) 0.4069(8) 0.1884(9) 0.114(4) Uani 0.422(10) 1 d D U P B 2
F173 F 0.3587(8) 0.4843(11) 0.1707(10) 0.116(4) Uani 0.422(10) 1 d D U P B 2
F11 F 0.4191(10) 0.4569(11) 0.1200(6) 0.114(4) Uani 0.422(10) 1 d D U P B 2
F87 F 0.3282(10) 0.2811(11) 0.2588(6) 0.094(3) Uani 0.427(11) 1 d D U P A 2
F175 F 0.3352(9) 0.2449(9) 0.3318(7) 0.096(3) Uani 0.427(11) 1 d D U P A 2
F143 F 0.3168(8) 0.3441(10) 0.3186(9) 0.095(3) Uani 0.427(11) 1 d D U P A 2
F171 F 0.4762(11) 0.0988(8) 0.4866(8) 0.140(4) Uani 0.538(10) 1 d D U P D 2
F43 F 0.4102(9) 0.1795(11) 0.4794(9) 0.145(4) Uani 0.538(10) 1 d D U P D 2
F169 F 0.4890(11) 0.1861(11) 0.5382(7) 0.143(4) Uani 0.538(10) 1 d D U P D 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy2 O12 2.299(7) . ?
Dy2 O16 2.342(7) . ?
Dy2 O13 2.362(7) . ?
Dy2 O1 2.341(6) . ?
Dy2 O14 2.413(7) . ?
Dy2 O15 2.368(7) . ?
Dy2 O11 2.394(7) . ?
Dy2 O3 2.290(7) . ?
Dy1 O20 2.364(7) . ?
Dy1 O18 2.329(7) . ?
Dy1 O21 2.340(7) . ?
Dy1 O19 2.350(7) . ?
Dy1 O22 2.367(7) . ?
Dy1 O17 2.333(7) . ?
Dy1 N8 2.477(8) . ?
Dy1 N10 2.553(7) . ?
Dy3 O10 2.338(7) . ?
Dy3 O7 2.340(7) . ?
Dy3 O9 2.353(7) . ?
Dy3 N3 2.567(8) . ?
Dy3 N2 2.472(8) . ?
Dy3 O8 2.350(8) . ?
Dy3 O5 2.319(8) . ?
Dy3 O6 2.334(9) . ?
O10 C72 1.251(12) . ?
O20 C39 1.228(12) . ?
O12 C52 1.272(13) . ?
O16 C57 1.260(11) . ?
O7 C62 1.251(12) . ?
O18 C34 1.232(13) . ?
O21 C44 1.253(11) . ?
O19 C37 1.266(13) . ?
O13 C49 1.245(13) . ?
O22 C42 1.243(12) . ?
O1 N6 1.297(10) . ?
O14 C47 1.243(12) . ?
O17 C32 1.259(13) . ?
O9 C74 1.239(13) . ?
N4 N3 1.392(11) . ?
N4 C6 1.355(12) . ?
N4 C5 1.436(12) . ?
O15 C59 1.279(15) . ?
O11 C54 1.234(15) . ?
O3 N11 1.295(10) . ?
F66 C36 1.325(17) . ?
N9 N10 1.369(10) . ?
N9 C23 1.335(12) . ?
N9 C20 1.465(12) . ?
N11 C24 1.306(12) . ?
N11 C25 1.515(12) . ?
N3 C8 1.305(12) . ?
O4 N12 1.267(10) . ?
N8 C18 1.370(12) . ?
N8 C19 1.312(12) . ?
N7 C17 1.362(13) . ?
N7 C19 1.352(12) . ?
N7 C16 1.451(13) . ?
F34 C41 1.348(14) . ?
N10 C21 1.324(12) . ?
N6 C9 1.324(12) . ?
N6 C10 1.516(12) . ?
O2 N5 1.264(11) . ?
N2 C3 1.369(12) . ?
N2 C4 1.333(12) . ?
N12 C24 1.358(12) . ?
N12 C26 1.510(12) . ?
N1 C4 1.348(12) . ?
N1 C2 1.344(14) . ?
N1 C1 1.463(13) . ?
O8 C64 1.241(16) . ?
F37 C61 1.333(16) . ?
O5 C69 1.231(15) . ?
F165 C36 1.327(16) . ?
F19 C51 1.288(16) . ?
F147 C56 1.309(14) . ?
F149 C61 1.284(16) . ?
F75 C31 1.296(16) . ?
F151 C56 1.325(16) . ?
F77 C40 1.299(15) . ?
F153 C50 1.329(17) . ?
C62 C63 1.349(15) . ?
C62 C61 1.552(17) . ?
F157 C46 1.361(19) . ?
C23 C22 1.383(13) . ?
F79 C41 1.311(14) . ?
F159 C51 1.341(16) . ?
C42 C43 1.407(15) . ?
C42 C41 1.520(15) . ?
N5 C9 1.369(13) . ?
N5 C11 1.508(14) . ?
F140 C71 1.288(14) . ?
F156 C46 1.338(19) . ?
F138 C41 1.268(15) . ?
C21 C22 1.414(13) . ?
C22 C24 1.451(13) . ?
C3 C2 1.359(15) . ?
F144 C35 1.324(16) . ?
O6 C67 1.28(2) . ?
F150 C56 1.319(14) . ?
C4 C5 1.492(13) . ?
F154 C45 1.253(14) . ?
C7 C6 1.353(13) . ?
C7 C9 1.443(13) . ?
C7 C8 1.412(13) . ?
F160 C65 1.344(13) . ?
C17 C18 1.325(15) . ?
F164 C61 1.287(15) . ?
F71 C45 1.287(15) . ?
F69 C35 1.311(16) . ?
F9 C71 1.285(18) . ?
F35 C50 1.296(16) . ?
C20 C19 1.502(14) . ?
F17 C36 1.256(14) . ?
F133 C75 1.282(16) . ?
C44 C43 1.373(14) . ?
C44 C45 1.535(15) . ?
F67 C35 1.287(16) . ?
F135 C50 1.320(16) . ?
C15 C10 1.507(16) . ?
C57 C58 1.350(16) . ?
C57 C56 1.531(16) . ?
C72 C71 1.522(16) . ?
C72 C73 1.366(15) . ?
F45 C46 1.284(17) . ?
C74 C73 1.385(16) . ?
C74 C75 1.520(16) . ?
C10 C11 1.566(15) . ?
C10 C14 1.521(15) . ?
C39 C38 1.380(15) . ?
C39 C40 1.539(16) . ?
F89 C31 1.285(17) . ?
F97 C40 1.286(17) . ?
F91 C51 1.294(15) . ?
F49 C40 1.273(17) . ?
C63 C64 1.392(19) . ?
C36 C37 1.549(16) . ?
C64 C65 1.499(19) . ?
F95 C75 1.245(17) . ?
C54 C53 1.385(18) . ?
C54 C55 1.52(2) . ?
C47 C48 1.348(16) . ?
C47 C46 1.551(16) . ?
C26 C25 1.545(14) . ?
C26 C27 1.545(17) . ?
C26 C28 1.528(16) . ?
C71 F72 1.274(15) . ?
C34 C33 1.381(17) . ?
C34 C35 1.560(16) . ?
C59 C58 1.404(19) . ?
C59 C60 1.49(2) . ?
C25 C30 1.519(16) . ?
C25 C29 1.512(14) . ?
C52 C51 1.529(17) . ?
C52 C53 1.349(16) . ?
C33 C32 1.341(17) . ?
C37 C38 1.375(16) . ?
C49 C48 1.372(16) . ?
C49 C50 1.518(17) . ?
F84 C65 1.384(13) . ?
F116 C31 1.318(18) . ?
C32 C31 1.555(19) . ?
C12 C11 1.525(15) . ?
C45 F92 1.321(17) . ?
F106 C75 1.247(19) . ?
C11 C13 1.517(17) . ?
F119 C70 1.34(3) . ?
F127 C70 1.28(3) . ?
C65 F125 1.342(13) . ?
C65 F87 1.344(14) . ?
C65 F175 1.388(14) . ?
C65 F143 1.318(14) . ?
F131 C60 1.321(13) . ?
C67 C68 1.41(3) . ?
C67 C66 1.582(17) . ?
F7 C55 1.323(17) . ?
C55 F113 1.321(17) . ?
C55 F103 1.331(17) . ?
C55 F115 1.36(2) . ?
C55 F29 1.29(2) . ?
C55 F59 1.26(2) . ?
F123 C60 1.342(14) . ?
C60 F51 1.398(14) . ?
C60 F85 1.357(14) . ?
C60 F173 1.331(14) . ?
C60 F11 1.426(14) . ?
F13 C66 1.346(15) . ?
F27 C70 1.25(2) . ?
F105 C66 1.385(15) . ?
C70 C69 1.60(3) . ?
C68 C69 1.36(2) . ?
F2 C66 1.320(15) . ?
C66 F171 1.345(14) . ?
C66 F43 1.342(15) . ?
C66 F169 1.384(14) . ?

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
O12 Dy2 O16 139.3(2) . . ?
O12 Dy2 O13 149.5(2) . . ?
O12 Dy2 O1 99.4(2) . . ?
O12 Dy2 O14 77.0(3) . . ?
O12 Dy2 O15 84.6(3) . . ?
O12 Dy2 O11 71.7(3) . . ?
O16 Dy2 O13 70.6(2) . . ?
O16 Dy2 O14 142.5(3) . . ?
O16 Dy2 O15 72.6(3) . . ?
O16 Dy2 O11 69.7(3) . . ?
O13 Dy2 O14 72.5(2) . . ?
O13 Dy2 O15 118.0(3) . . ?
O13 Dy2 O11 131.9(3) . . ?
O1 Dy2 O16 103.7(2) . . ?
O1 Dy2 O13 72.5(2) . . ?
O1 Dy2 O14 70.9(2) . . ?
O1 Dy2 O15 70.1(3) . . ?
O1 Dy2 O11 143.2(3) . . ?
O15 Dy2 O14 133.0(3) . . ?
O15 Dy2 O11 73.5(3) . . ?
O11 Dy2 O14 136.3(2) . . ?
O3 Dy2 O12 85.5(3) . . ?
O3 Dy2 O16 97.1(2) . . ?
O3 Dy2 O13 83.4(3) . . ?
O3 Dy2 O1 140.3(3) . . ?
O3 Dy2 O14 72.0(3) . . ?
O3 Dy2 O15 149.4(3) . . ?
O3 Dy2 O11 75.8(3) . . ?
O20 Dy1 O22 140.9(2) . . ?
O20 Dy1 N8 139.8(3) . . ?
O20 Dy1 N10 74.0(3) . . ?
O18 Dy1 O20 73.6(3) . . ?
O18 Dy1 O21 77.9(2) . . ?
O18 Dy1 O19 112.3(3) . . ?
O18 Dy1 O22 76.4(3) . . ?
O18 Dy1 O17 73.1(3) . . ?
O18 Dy1 N8 145.8(3) . . ?
O18 Dy1 N10 139.5(3) . . ?
O21 Dy1 O20 78.3(2) . . ?
O21 Dy1 O19 143.8(2) . . ?
O21 Dy1 O22 71.4(2) . . ?
O21 Dy1 N8 110.6(3) . . ?
O21 Dy1 N10 72.3(2) . . ?
O19 Dy1 O20 72.2(2) . . ?
O19 Dy1 O22 143.8(2) . . ?
O19 Dy1 N8 80.9(3) . . ?
O19 Dy1 N10 79.6(3) . . ?
O22 Dy1 N8 75.6(3) . . ?
O22 Dy1 N10 117.5(3) . . ?
O17 Dy1 O20 119.7(2) . . ?
O17 Dy1 O21 138.4(2) . . ?
O17 Dy1 O19 76.1(2) . . ?
O17 Dy1 O22 73.3(2) . . ?
O17 Dy1 N8 80.4(3) . . ?
O17 Dy1 N10 145.7(3) . . ?
N8 Dy1 N10 72.1(3) . . ?
O10 Dy3 O7 140.5(2) . . ?
O10 Dy3 O9 72.0(2) . . ?
O10 Dy3 N3 70.9(3) . . ?
O10 Dy3 N2 108.0(3) . . ?
O10 Dy3 O8 77.1(3) . . ?
O7 Dy3 O9 146.0(3) . . ?
O7 Dy3 N3 76.6(3) . . ?
O7 Dy3 N2 82.6(3) . . ?
O7 Dy3 O8 72.9(2) . . ?
O9 Dy3 N3 119.4(3) . . ?
O9 Dy3 N2 75.1(3) . . ?
N2 Dy3 N3 73.1(3) . . ?
O8 Dy3 O9 138.1(3) . . ?
O8 Dy3 N3 74.2(3) . . ?
O8 Dy3 N2 142.7(3) . . ?
O5 Dy3 O10 143.4(3) . . ?
O5 Dy3 O7 74.9(3) . . ?
O5 Dy3 O9 76.2(3) . . ?
O5 Dy3 N3 143.0(3) . . ?
O5 Dy3 N2 80.3(3) . . ?
O5 Dy3 O8 118.2(3) . . ?
O5 Dy3 O6 72.9(3) . . ?
O6 Dy3 O10 81.7(3) . . ?
O6 Dy3 O7 112.6(3) . . ?
O6 Dy3 O9 75.0(3) . . ?
O6 Dy3 N3 141.1(3) . . ?
O6 Dy3 N2 143.6(3) . . ?
O6 Dy3 O8 73.1(3) . . ?
C72 O10 Dy3 134.0(7) . . ?
C39 O20 Dy1 135.5(7) . . ?
C52 O12 Dy2 136.0(7) . . ?
C57 O16 Dy2 131.6(7) . . ?
C62 O7 Dy3 134.2(7) . . ?
C34 O18 Dy1 132.2(8) . . ?
C44 O21 Dy1 134.7(6) . . ?
C37 O19 Dy1 135.0(7) . . ?
C49 O13 Dy2 134.3(7) . . ?
C42 O22 Dy1 134.8(7) . . ?
N6 O1 Dy2 145.7(6) . . ?
C47 O14 Dy2 131.6(7) . . ?
C32 O17 Dy1 130.3(7) . . ?
C74 O9 Dy3 134.2(7) . . ?
N3 N4 C5 122.4(8) . . ?
C6 N4 N3 109.6(8) . . ?
C6 N4 C5 126.8(8) . . ?
C59 O15 Dy2 134.3(8) . . ?
C54 O11 Dy2 134.9(9) . . ?
N11 O3 Dy2 162.2(6) . . ?
N10 N9 C20 121.4(8) . . ?
C23 N9 N10 111.7(8) . . ?
C23 N9 C20 125.4(8) . . ?
O3 N11 C24 123.8(8) . . ?
O3 N11 C25 122.2(8) . . ?
C24 N11 C25 113.8(8) . . ?
N4 N3 Dy3 127.8(6) . . ?
C8 N3 Dy3 126.7(7) . . ?
C8 N3 N4 105.4(8) . . ?
C18 N8 Dy1 124.7(7) . . ?
C19 N8 Dy1 129.5(7) . . ?
C19 N8 C18 105.8(9) . . ?
C17 N7 C16 125.4(10) . . ?
C19 N7 C17 106.1(9) . . ?
C19 N7 C16 128.5(10) . . ?
N9 N10 Dy1 130.2(6) . . ?
C21 N10 Dy1 124.2(6) . . ?
C21 N10 N9 105.1(7) . . ?
O1 N6 C9 124.2(8) . . ?
O1 N6 C10 120.3(8) . . ?
C9 N6 C10 114.7(8) . . ?
C3 N2 Dy3 125.2(7) . . ?
C4 N2 Dy3 130.2(6) . . ?
C4 N2 C3 104.5(8) . . ?
O4 N12 C24 126.4(8) . . ?
O4 N12 C26 121.9(8) . . ?
C24 N12 C26 110.5(8) . . ?
C4 N1 C1 127.0(9) . . ?
C2 N1 C4 108.1(9) . . ?
C2 N1 C1 124.8(9) . . ?
C64 O8 Dy3 134.3(8) . . ?
C69 O5 Dy3 134.2(9) . . ?
O7 C62 C63 129.4(11) . . ?
O7 C62 C61 112.6(10) . . ?
C63 C62 C61 117.9(11) . . ?
N9 C23 C22 107.7(8) . . ?
O22 C42 C43 126.8(10) . . ?
O22 C42 C41 114.2(10) . . ?
C43 C42 C41 119.0(10) . . ?
O2 N5 C9 125.7(9) . . ?
O2 N5 C11 122.0(9) . . ?
C9 N5 C11 111.4(8) . . ?
N10 C21 C22 111.4(8) . . ?
C23 C22 C21 104.2(8) . . ?
C23 C22 C24 129.3(9) . . ?
C21 C22 C24 126.1(9) . . ?
C2 C3 N2 110.5(10) . . ?
C67 O6 Dy3 133.8(11) . . ?
N2 C4 N1 110.9(9) . . ?
N2 C4 C5 124.2(9) . . ?
N1 C4 C5 124.9(9) . . ?
C6 C7 C9 127.5(9) . . ?
C6 C7 C8 105.1(9) . . ?
C8 C7 C9 127.3(9) . . ?
C18 C17 N7 107.7(10) . . ?
C7 C6 N4 108.3(9) . . ?
N6 C9 N5 108.3(9) . . ?
N6 C9 C7 126.8(9) . . ?
N5 C9 C7 124.9(9) . . ?
N4 C5 C4 114.4(8) . . ?
N3 C8 C7 111.6(9) . . ?
N9 C20 C19 112.8(8) . . ?
C17 C18 N8 109.5(10) . . ?
O21 C44 C43 128.7(10) . . ?
O21 C44 C45 114.6(9) . . ?
C43 C44 C45 116.8(10) . . ?
N1 C2 C3 105.9(10) . . ?
N8 C19 N7 111.0(9) . . ?
N8 C19 C20 126.3(9) . . ?
N7 C19 C20 122.2(9) . . ?
N11 C24 N12 109.3(8) . . ?
N11 C24 C22 126.7(9) . . ?
N12 C24 C22 124.0(8) . . ?
O16 C57 C58 128.2(11) . . ?
O16 C57 C56 113.2(10) . . ?
C58 C57 C56 118.6(10) . . ?
O10 C72 C71 113.5(10) . . ?
O10 C72 C73 129.0(10) . . ?
C73 C72 C71 117.5(10) . . ?
O9 C74 C73 127.6(11) . . ?
O9 C74 C75 114.6(11) . . ?
C73 C74 C75 117.7(11) . . ?
N6 C10 C11 99.5(8) . . ?
N6 C10 C14 108.6(8) . . ?
C15 C10 N6 106.5(9) . . ?
C15 C10 C11 114.5(9) . . ?
C15 C10 C14 111.9(10) . . ?
C14 C10 C11 114.6(10) . . ?
O20 C39 C38 128.1(10) . . ?
O20 C39 C40 113.9(11) . . ?
C38 C39 C40 117.9(11) . . ?
C44 C43 C42 120.0(10) . . ?
C62 C63 C64 120.7(12) . . ?
F66 C36 F165 103.3(11) . . ?
F66 C36 C37 110.2(11) . . ?
F165 C36 C37 109.6(12) . . ?
F17 C36 F66 108.4(15) . . ?
F17 C36 F165 111.2(13) . . ?
F17 C36 C37 113.6(12) . . ?
O8 C64 C63 128.4(13) . . ?
O8 C64 C65 112.4(13) . . ?
C63 C64 C65 119.2(13) . . ?
O11 C54 C53 126.2(13) . . ?
O11 C54 C55 114.0(13) . . ?
C53 C54 C55 119.8(13) . . ?
O14 C47 C48 130.7(11) . . ?
O14 C47 C46 112.5(11) . . ?
C48 C47 C46 116.8(12) . . ?
N12 C26 C25 101.7(8) . . ?
N12 C26 C27 105.4(9) . . ?
N12 C26 C28 108.7(9) . . ?
C27 C26 C25 113.7(10) . . ?
C28 C26 C25 114.7(10) . . ?
C28 C26 C27 111.5(10) . . ?
F140 C71 C72 112.7(11) . . ?
F9 C71 F140 102.8(13) . . ?
F9 C71 C72 112.2(13) . . ?
F72 C71 F140 109.2(13) . . ?
F72 C71 F9 104.2(14) . . ?
F72 C71 C72 114.7(11) . . ?
O18 C34 C33 128.9(11) . . ?
O18 C34 C35 112.9(12) . . ?
C33 C34 C35 118.1(11) . . ?
F34 C41 C42 112.8(11) . . ?
F79 C41 F34 104.9(11) . . ?
F79 C41 C42 111.8(10) . . ?
F138 C41 F34 105.1(11) . . ?
F138 C41 F79 109.8(13) . . ?
F138 C41 C42 112.0(11) . . ?
O15 C59 C58 124.0(12) . . ?
O15 C59 C60 115.7(13) . . ?
C58 C59 C60 120.1(12) . . ?
N11 C25 C26 99.7(8) . . ?
N11 C25 C30 107.1(9) . . ?
C30 C25 C26 114.1(9) . . ?
C29 C25 N11 109.4(8) . . ?
C29 C25 C26 115.5(10) . . ?
C29 C25 C30 110.1(10) . . ?
C72 C73 C74 120.4(11) . . ?
O12 C52 C51 112.7(11) . . ?
O12 C52 C53 128.1(11) . . ?
C53 C52 C51 119.2(11) . . ?
F19 C51 F159 105.0(12) . . ?
F19 C51 F91 109.3(13) . . ?
F19 C51 C52 112.9(12) . . ?
F159 C51 C52 109.9(12) . . ?
F91 C51 F159 105.5(13) . . ?
F91 C51 C52 113.5(12) . . ?
C32 C33 C34 120.7(11) . . ?
O19 C37 C36 113.7(10) . . ?
O19 C37 C38 127.5(10) . . ?
C38 C37 C36 118.8(11) . . ?
F144 C35 C34 110.2(11) . . ?
F69 C35 F144 106.7(13) . . ?
F69 C35 C34 113.9(12) . . ?
F67 C35 F144 105.5(14) . . ?
F67 C35 F69 107.5(12) . . ?
F67 C35 C34 112.5(12) . . ?
O13 C49 C48 128.5(11) . . ?
O13 C49 C50 112.1(11) . . ?
C48 C49 C50 119.4(12) . . ?
C57 C58 C59 123.7(11) . . ?
C47 C48 C49 121.5(12) . . ?
O17 C32 C33 129.1(12) . . ?
O17 C32 C31 111.6(11) . . ?
C33 C32 C31 119.3(12) . . ?
F37 C61 C62 109.8(11) . . ?
F149 C61 F37 105.2(13) . . ?
F149 C61 C62 111.1(12) . . ?
F149 C61 F164 111.6(13) . . ?
F164 C61 F37 104.9(13) . . ?
F164 C61 C62 113.7(12) . . ?
F154 C45 F71 110.5(13) . . ?
F154 C45 C44 115.7(11) . . ?
F154 C45 F92 105.3(13) . . ?
F71 C45 C44 112.3(11) . . ?
F71 C45 F92 102.3(13) . . ?
F92 C45 C44 109.7(12) . . ?
C37 C38 C39 121.6(10) . . ?
N5 C11 C10 102.1(8) . . ?
N5 C11 C12 108.0(9) . . ?
N5 C11 C13 107.1(10) . . ?
C12 C11 C10 114.2(10) . . ?
C13 C11 C10 114.7(10) . . ?
C13 C11 C12 110.0(10) . . ?
F147 C56 F151 105.3(13) . . ?
F147 C56 F150 106.4(12) . . ?
F147 C56 C57 112.2(10) . . ?
F151 C56 C57 111.3(11) . . ?
F150 C56 F151 106.0(12) . . ?
F150 C56 C57 115.0(12) . . ?
F77 C40 C39 113.6(11) . . ?
F97 C40 F77 105.0(13) . . ?
F97 C40 C39 112.6(13) . . ?
F49 C40 F77 106.8(14) . . ?
F49 C40 C39 111.2(12) . . ?
F49 C40 F97 107.2(14) . . ?
F160 C65 C64 114.4(12) . . ?
F160 C65 F84 104.8(12) . . ?
F84 C65 C64 108.5(12) . . ?
F125 C65 F160 107.8(13) . . ?
F125 C65 C64 119.6(13) . . ?
F125 C65 F84 99.9(12) . . ?
F87 C65 C64 116.9(15) . . ?
F87 C65 F175 105.1(14) . . ?
F175 C65 C64 106.4(14) . . ?
F143 C65 C64 117.1(14) . . ?
F143 C65 F87 108.8(15) . . ?
F143 C65 F175 100.7(14) . . ?
F133 C75 C74 115.1(12) . . ?
F95 C75 F133 103.0(16) . . ?
F95 C75 C74 113.4(13) . . ?
F95 C75 F106 107.5(16) . . ?
F106 C75 F133 103.6(14) . . ?
F106 C75 C74 113.2(14) . . ?
C52 C53 C54 122.1(12) . . ?
F153 C50 C49 112.3(13) . . ?
F35 C50 F153 106.0(13) . . ?
F35 C50 F135 108.0(14) . . ?
F35 C50 C49 114.7(13) . . ?
F135 C50 F153 103.2(13) . . ?
F135 C50 C49 111.8(12) . . ?
O6 C67 C68 126.0(16) . . ?
O6 C67 C66 112.3(17) . . ?
C68 C67 C66 121.5(17) . . ?
F75 C31 F116 106.3(13) . . ?
F75 C31 C32 112.5(14) . . ?
F89 C31 F75 108.7(14) . . ?
F89 C31 F116 107.0(16) . . ?
F89 C31 C32 112.0(12) . . ?
F116 C31 C32 110.0(13) . . ?
F7 C55 C54 109.5(15) . . ?
F7 C55 F103 109.3(16) . . ?
F113 C55 C54 113.3(15) . . ?
F113 C55 F7 108.8(16) . . ?
F113 C55 F103 105.7(15) . . ?
F103 C55 C54 110.2(15) . . ?
F115 C55 C54 110.6(15) . . ?
F29 C55 C54 116.7(15) . . ?
F29 C55 F115 103.6(17) . . ?
F59 C55 C54 114.4(17) . . ?
F59 C55 F115 102.3(16) . . ?
F59 C55 F29 107.7(17) . . ?
F157 C46 C47 107.7(12) . . ?
F156 C46 F157 102.8(13) . . ?
F156 C46 C47 113.2(14) . . ?
F45 C46 F157 108.3(16) . . ?
F45 C46 F156 108.9(14) . . ?
F45 C46 C47 115.1(13) . . ?
F131 C60 C59 114.4(13) . . ?
F131 C60 F123 114.1(15) . . ?
F131 C60 F51 106.5(13) . . ?
F123 C60 C59 109.4(13) . . ?
F123 C60 F51 105.6(14) . . ?
F51 C60 C59 106.1(14) . . ?
F85 C60 C59 114.4(16) . . ?
F85 C60 F11 101.8(14) . . ?
F173 C60 C59 119.4(15) . . ?
F173 C60 F85 112.3(16) . . ?
F173 C60 F11 102.8(15) . . ?
F11 C60 C59 103.2(14) . . ?
F119 C70 C69 104(2) . . ?
F127 C70 F119 103.5(19) . . ?
F127 C70 C69 109.8(19) . . ?
F27 C70 F119 112(2) . . ?
F27 C70 F127 113(3) . . ?
F27 C70 C69 113.6(17) . . ?
C69 C68 C67 120.4(17) . . ?
O5 C69 C70 115.2(14) . . ?
O5 C69 C68 129.6(16) . . ?
C68 C69 C70 114.9(15) . . ?
F13 C66 C67 110.5(18) . . ?
F13 C66 F105 111.3(16) . . ?
F105 C66 C67 95.3(17) . . ?
F2 C66 C67 115.9(19) . . ?
F2 C66 F13 114.2(17) . . ?
F2 C66 F105 108.0(17) . . ?
F171 C66 C67 108.4(16) . . ?
F171 C66 F169 114.1(16) . . ?
F43 C66 C67 115.5(18) . . ?
F43 C66 F171 107.7(16) . . ?
F43 C66 F169 107.0(15) . . ?
F169 C66 C67 104.3(17) . . ?

