#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:37:37 +0300 (Wed, 05 May 2021) $
#$Revision: 264898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/69/7706960.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7706960
loop_
_publ_author_name
'Mikami, Kaiyu'
'Hui, Shen'
'Kubo, Kazuyuki'
'Kume, Shoko'
'Mizuta, Tsutomu'
_publ_section_title
;
 The
 [Ag₂₅Cu₄H₈Br₆(CCPh)₁₂(PPh₃)₁₂]³⁺ : Ag₁₃H₈
 silver hydride core protected by
 [CuAg₃(CCPh)₃(PPh₃)₃]⁺
 motifs.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5659
_journal_page_last               5665
_journal_paper_doi               10.1039/d1dt00294e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C383 H319 Ag26 Br17 Cu4 F18 P18'
_chemical_formula_weight         10238.07
_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3 :H'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2021-01-15 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   26.548(13)
_cell_length_b                   26.548
_cell_length_c                   48.43(2)
_cell_measurement_reflns_used    752
_cell_measurement_temperature    173.(2)
_cell_measurement_theta_max      22.2555
_cell_measurement_theta_min      3.2881
_cell_volume                     29560(19)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2(Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XSHELL V6.3.1(Bruker AXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'multilayered conforcal mirror'
_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_number            56214
_diffrn_reflns_theta_full        27.34
_diffrn_reflns_theta_max         27.34
_diffrn_reflns_theta_min         1.82
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    3.323
_exptl_absorpt_correction_T_max  0.38
_exptl_absorpt_correction_T_min  0.27
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             14946
_exptl_crystal_size_max          0.840
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.360
_refine_diff_density_max         2.272
_refine_diff_density_min         -2.561
_refine_ls_abs_structure_details
;

Flack x determined using 9694 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.042(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1449
_refine_ls_number_reflns         28389
_refine_ls_number_restraints     346
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0592
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1374P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1715
_refine_ls_wR_factor_ref         0.1814
_reflns_d_resolution_high        0.7709
_reflns_number_gt                23673
_reflns_number_total             28389
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00294e2.cif
_cod_data_source_block           20190624_mikami391
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7706956--7706960.cif.
;
_cod_original_cell_volume        29560.(30)
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               7706960
_platon_squeeze_void_probe_radius 1.20
_shelx_title
' 20190624_mikami391_a.res in R3                     '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            2691.59
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
1/3+x,2/3+y,2/3+z
1/3-y,2/3+x-y,2/3+z
1/3-x+y,2/3-x,2/3+z
2/3+x,1/3+y,1/3+z
2/3-y,1/3+x-y,1/3+z
2/3-x+y,1/3-x,1/3+z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag1 0.36118(4) 0.62411(4) 0.47533(2) 0.0312(2) Uani d . . . 1.0 . .
Ag Ag2 0.41536(4) 0.70141(4) 0.57727(2) 0.0298(2) Uani d . . . 1.0 . .
Ag Ag3 0.333333 0.666667 0.52816(3) 0.0215(3) Uani d T P S 1.0 . .
Ag Ag4 0.35183(4) 0.56518(4) 0.53678(2) 0.0311(2) Uani d . . . 1.0 . .
Ag Ag5 0.45932(4) 0.69645(4) 0.52461(2) 0.0320(2) Uani d . . . 1.0 . .
Ag Ag6 0.39414(5) 0.61326(5) 0.63604(2) 0.0419(3) Uani d . . . 1.0 . .
Ag Ag7 0.48760(7) 0.57149(7) 0.54250(3) 0.0589(3) Uani d . . . 1.0 . .
Ag Ag8 0.52589(5) 0.67735(5) 0.46440(2) 0.0416(3) Uani d . . . 1.0 . .
Ag Ag9 0.37243(5) 0.49717(5) 0.46939(2) 0.0407(2) Uani d . . . 1.0 . .
Ag Ag10 0.666667 0.333333 0.68499(3) 0.0329(3) Uani d T P S 1.0 . .
Cu Cu1 0.333333 0.666667 0.62255(5) 0.0254(5) Uani d T P S 1.0 . .
Cu Cu2 0.44323(6) 0.59404(6) 0.49699(3) 0.0259(3) Uani d . . . 1.0 . .
Br Br1 0.43055(6) 0.60063(5) 0.58400(2) 0.0304(3) Uani d . . . 1.0 . .
Br Br2 0.49665(5) 0.76486(5) 0.47315(3) 0.0286(3) Uani d . . . 1.0 . .
Br Br3 0.666667 0.333333 0.73965(6) 0.0705(9) Uani d T P S 1.0 . .
P P1 0.44366(15) 0.59838(16) 0.67379(8) 0.0372(8) Uani d . . . 1.0 . .
P P2 0.5337(2) 0.5173(2) 0.55897(9) 0.0638(13) Uani d . . . 1.0 . .
P P3 0.61626(15) 0.70750(16) 0.44135(8) 0.0390(8) Uani d . . . 1.0 . .
P P4 0.36673(15) 0.42798(15) 0.43724(8) 0.0347(7) Uani d . . . 1.0 . .
P P5 0.58266(14) 0.34513(14) 0.67029(7) 0.0311(7) Uani d . . . 1.0 . .
C C1 0.4187(5) 0.7133(6) 0.6274(3) 0.029(2) Uani d . . . 1.0 . .
C C2 0.4722(5) 0.7477(6) 0.6264(2) 0.030(3) Uani d . . . 1.0 . .
C C3 0.5318(7) 0.7883(7) 0.6288(3) 0.044(3) Uani d . . . 1.0 . .
C C4 0.5578(9) 0.8342(9) 0.6105(4) 0.066(5) Uani d . . . 1.0 . .
H H4 0.535476 0.841382 0.597456 0.079 Uiso calc U . R 1.0 . .
C C5 0.6193(9) 0.8701(10) 0.6119(6) 0.091(8) Uani d . . . 1.0 . .
H H5 0.638505 0.895922 0.596983 0.11 Uiso calc U . R 1.0 . .
C C6 0.6523(9) 0.8698(10) 0.6335(7) 0.092(8) Uani d . . . 1.0 . .
C C7 0.6248(9) 0.8194(11) 0.6523(5) 0.076(6) Uani d . . . 1.0 . .
H H7 0.646168 0.812516 0.666063 0.091 Uiso calc U . R 1.0 . .
C C8 0.5660(7) 0.7830(7) 0.6485(4) 0.047(4) Uani d . . . 1.0 . .
H H8 0.547248 0.750879 0.660792 0.056 Uiso calc U . R 1.0 . .
C C9 0.7204(14) 0.9085(16) 0.6343(8) 0.121(10) Uani d U . . 1.0 . .
H H9A 0.737456 0.893435 0.620944 0.182 Uiso calc U . R 1.0 . .
H H9B 0.734424 0.907426 0.652846 0.182 Uiso calc U . R 1.0 . .
H H9C 0.731786 0.948637 0.62946 0.182 Uiso calc U . R 1.0 . .
C C11 0.5183(5) 0.6553(5) 0.5138(3) 0.031(3) Uani d . . . 1.0 . .
C C12 0.5589(6) 0.6888(6) 0.5262(3) 0.037(3) Uani d . . . 1.0 . .
C C13 0.6117(6) 0.7218(7) 0.5432(3) 0.045(3) Uani d . . . 1.0 . .
C C14 0.6647(8) 0.7475(10) 0.5302(5) 0.069(6) Uani d . . . 1.0 . .
H H14 0.668653 0.748442 0.510723 0.082 Uiso calc U . R 1.0 . .
C C15 0.7165(9) 0.7743(12) 0.5495(5) 0.082(7) Uani d U . . 1.0 . .
H H15 0.753332 0.783929 0.541953 0.098 Uiso calc U . R 1.0 . .
C C16 0.7145(10) 0.7847(10) 0.5746(6) 0.078(6) Uani d U . . 1.0 . .
C C17 0.6585(13) 0.7652(10) 0.5857(4) 0.081(7) Uani d . . . 1.0 . .
H H17 0.656144 0.773437 0.604554 0.098 Uiso calc U . R 1.0 . .
C C18 0.6062(10) 0.7347(9) 0.5710(4) 0.064(5) Uani d . . . 1.0 . .
H H18 0.569543 0.723437 0.579153 0.076 Uiso calc U . R 1.0 . .
C C19 0.7628(12) 0.8148(16) 0.5943(7) 0.116(11) Uani d . . . 1.0 . .
H H19A 0.790422 0.800798 0.591956 0.174 Uiso calc U . R 1.0 . .
H H19B 0.747488 0.806781 0.613172 0.174 Uiso calc U . R 1.0 . .
H H19C 0.78262 0.856764 0.590855 0.174 Uiso calc U . R 1.0 . .
C C21 0.4303(6) 0.5998(5) 0.4565(3) 0.030(3) Uani d . . . 1.0 . .
C C22 0.4224(5) 0.6089(6) 0.4335(3) 0.031(3) Uani d . . . 1.0 . .
C C23 0.4176(5) 0.6207(5) 0.4041(3) 0.032(3) Uani d . . . 1.0 . .
C C24 0.4083(6) 0.5811(7) 0.3844(3) 0.045(3) Uani d . . . 1.0 . .
H H24 0.400096 0.543256 0.389596 0.053 Uiso calc U . R 1.0 . .
C C25 0.4105(8) 0.5949(9) 0.3569(3) 0.057(5) Uani d . . . 1.0 . .
H H25 0.405736 0.566817 0.343388 0.069 Uiso calc U . R 1.0 . .
C C26 0.4194(8) 0.6472(10) 0.3485(4) 0.064(5) Uani d . . . 1.0 . .
C C27 0.4239(7) 0.6865(8) 0.3686(4) 0.054(4) Uani d . . . 1.0 . .
H H27 0.426595 0.722206 0.363319 0.065 Uiso calc U . R 1.0 . .
C C28 0.4247(8) 0.6738(8) 0.3965(3) 0.051(4) Uani d . . . 1.0 . .
H H28 0.429963 0.701642 0.410155 0.062 Uiso calc U . R 1.0 . .
C C29 0.4192(15) 0.6614(16) 0.3175(5) 0.117(11) Uani d . . . 1.0 . .
H H29A 0.446307 0.702866 0.314416 0.176 Uiso calc U . R 1.0 . .
H H29B 0.379949 0.652011 0.312041 0.176 Uiso calc U . R 1.0 . .
H H29C 0.431326 0.638284 0.30655 0.176 Uiso calc U . R 1.0 . .
C C31 0.3991(6) 0.5172(6) 0.5157(3) 0.031(3) Uani d . . . 1.0 . .
C C32 0.3614(6) 0.4697(6) 0.5259(3) 0.036(3) Uani d . . . 1.0 . .
C C33 0.3201(7) 0.4125(6) 0.5351(3) 0.046(3) Uani d . . . 1.0 . .
C C34 0.2608(7) 0.3920(7) 0.5303(4) 0.051(4) Uani d . . . 1.0 . .
H H34 0.249559 0.416589 0.5212 0.061 Uiso calc U . R 1.0 . .
C C35 0.2169(10) 0.3348(8) 0.5387(4) 0.074(6) Uani d U . . 1.0 . .
H H35 0.17652 0.32201 0.537453 0.089 Uiso calc U . R 1.0 . .
C C36 0.2383(10) 0.2983(8) 0.5491(4) 0.070(6) Uani d . . . 1.0 . .
C C37 0.2960(11) 0.3212(8) 0.5548(4) 0.071(6) Uani d . . . 1.0 . .
H H37 0.308049 0.297262 0.563908 0.085 Uiso calc U . R 1.0 . .
C C38 0.3385(9) 0.3783(7) 0.5480(4) 0.054(4) Uani d . . . 1.0 . .
H H38 0.378398 0.392795 0.552085 0.065 Uiso calc U . R 1.0 . .
C C39 0.1898(12) 0.2346(10) 0.5559(6) 0.102(9) Uani d . . . 1.0 . .
H H39A 0.174708 0.212667 0.538702 0.153 Uiso calc U . R 1.0 . .
H H39B 0.158122 0.235385 0.565924 0.153 Uiso calc U . R 1.0 . .
H H39C 0.206188 0.215898 0.567366 0.153 Uiso calc U . R 1.0 . .
C C41 0.4365(6) 0.6303(7) 0.7060(3) 0.042(3) Uani d . . . 1.0 . .
C C42 0.4312(6) 0.6814(7) 0.7024(3) 0.041(3) Uani d . . . 1.0 . .
H H42 0.432021 0.696235 0.684433 0.049 Uiso calc U . R 1.0 . .
C C43 0.4251(7) 0.7081(6) 0.7252(4) 0.044(3) Uani d . . . 1.0 . .
H H43 0.421657 0.741822 0.722992 0.053 Uiso calc U . R 1.0 . .
C C44 0.4237(6) 0.6866(9) 0.7518(4) 0.055(4) Uani d . . . 1.0 . .
H H44 0.419932 0.705615 0.767592 0.066 Uiso calc U . R 1.0 . .
C C45 0.4279(7) 0.6386(9) 0.7543(3) 0.053(4) Uani d . . . 1.0 . .
H H45 0.42584 0.622796 0.772163 0.064 Uiso calc U . R 1.0 . .
C C46 0.4353(7) 0.6108(8) 0.7307(3) 0.048(4) Uani d . . . 1.0 . .
H H46 0.439312 0.577445 0.733094 0.058 Uiso calc U . R 1.0 . .
C C47 0.4208(7) 0.5238(8) 0.6833(4) 0.049(4) Uani d . . . 1.0 . .
C C48 0.3612(7) 0.4804(7) 0.6794(4) 0.049(4) Uani d . . . 1.0 . .
H H48 0.334649 0.491996 0.673043 0.059 Uiso calc U . R 1.0 . .
C C49 0.3424(8) 0.4260(9) 0.6841(4) 0.062(5) Uani d . . . 1.0 . .
H H49 0.30289 0.398042 0.680578 0.074 Uiso calc U . R 1.0 . .
C C50 0.3799(9) 0.4080(9) 0.6944(4) 0.066(5) Uani d . . . 1.0 . .
H H50 0.364917 0.368619 0.699716 0.08 Uiso calc U . R 1.0 . .
C C51 0.4387(9) 0.4470(8) 0.6971(5) 0.071(6) Uani d . . . 1.0 . .
H H51 0.465643 0.434415 0.701199 0.085 Uiso calc U . R 1.0 . .
C C52 0.4567(8) 0.5063(8) 0.6934(5) 0.061(5) Uani d . . . 1.0 . .
H H52 0.495401 0.5348 0.698118 0.074 Uiso calc U . R 1.0 . .
C C53 0.5224(6) 0.6312(6) 0.6679(3) 0.038(3) Uani d . . . 1.0 . .
C C54 0.5615(7) 0.6565(7) 0.6883(3) 0.046(3) Uani d . . . 1.0 . .
H H54 0.548992 0.658175 0.706455 0.055 Uiso calc U . R 1.0 . .
C C55 0.6206(8) 0.6803(8) 0.6826(4) 0.054(4) Uani d . . . 1.0 . .
H H55 0.648311 0.697849 0.697024 0.065 Uiso calc U . R 1.0 . .
C C56 0.6388(6) 0.6783(7) 0.6562(3) 0.046(4) Uani d . . . 1.0 . .
H H56 0.679078 0.696967 0.651912 0.056 Uiso calc U . R 1.0 . .
C C57 0.5968(7) 0.6483(8) 0.6356(4) 0.048(4) Uani d . . . 1.0 . .
H H57 0.608325 0.642683 0.617812 0.058 Uiso calc U . R 1.0 . .
C C58 0.5395(6) 0.6273(6) 0.6414(3) 0.037(3) Uani d . . . 1.0 . .
H H58 0.511241 0.609878 0.627219 0.044 Uiso calc U . R 1.0 . .
C C59 0.4885(9) 0.4619(9) 0.5823(3) 0.057(4) Uani d . . . 1.0 . .
C C60 0.4566(9) 0.4725(8) 0.6012(4) 0.061(5) Uani d . . . 1.0 . .
H H60 0.460832 0.510165 0.602326 0.073 Uiso calc U . R 1.0 . .
C C61 0.4179(11) 0.4285(9) 0.6189(4) 0.067(5) Uani d . . . 1.0 . .
H H61 0.394938 0.436564 0.631141 0.08 Uiso calc U . R 1.0 . .
C C62 0.4119(12) 0.3744(12) 0.6192(6) 0.094(8) Uani d . . . 1.0 . .
H H62 0.385674 0.345362 0.631608 0.113 Uiso calc U . R 1.0 . .
C C63 0.4450(13) 0.3630(11) 0.6010(4) 0.079(6) Uani d U . . 1.0 . .
H H63 0.441666 0.325686 0.600405 0.095 Uiso calc U . R 1.0 . .
C C64 0.4819(10) 0.4056(8) 0.5840(4) 0.069(6) Uani d . . . 1.0 . .
H H64 0.505533 0.397383 0.57222 0.082 Uiso calc U . R 1.0 . .
C C65A 0.5958(17) 0.5401(19) 0.5766(10) 0.062(7) Uani d U P G 0.37(6) A 1
C C66A 0.6106(16) 0.5175(19) 0.5991(10) 0.064(7) Uani d U P G 0.37(6) A 1
H H66A 0.583272 0.480372 0.606234 0.077 Uiso calc U P R 0.37(6) A 1
C C67A 0.6652(18) 0.549(2) 0.6111(11) 0.091(10) Uani d U P G 0.37(6) A 1
H H67A 0.675313 0.533774 0.626457 0.109 Uiso calc U P R 0.37(6) A 1
C C68A 0.7052(16) 0.604(2) 0.6007(13) 0.121(14) Uani d U P G 0.37(6) A 1
H H68A 0.742537 0.625268 0.60887 0.145 Uiso calc U P R 0.37(6) A 1
C C69A 0.690(2) 0.6262(18) 0.5782(11) 0.084(9) Uani d U P G 0.37(6) A 1
H H69A 0.717722 0.66336 0.57106 0.101 Uiso calc U P R 0.37(6) A 1
C C70A 0.636(2) 0.5945(16) 0.5662(9) 0.089(9) Uani d U P G 0.37(6) A 1
H H70A 0.625681 0.609959 0.550837 0.107 Uiso calc U P R 0.37(6) A 1
C C65B 0.6037(11) 0.5602(16) 0.5770(6) 0.062(7) Uani d U P G 0.63(6) A 2
C C66B 0.6185(13) 0.5370(15) 0.5993(6) 0.064(7) Uani d U P G 0.63(6) A 2
H H66B 0.591555 0.499225 0.605909 0.077 Uiso calc U P R 0.63(6) A 2
C C67B 0.6726(15) 0.5690(17) 0.6117(7) 0.091(10) Uani d U P G 0.63(6) A 2
H H67B 0.682719 0.553127 0.626902 0.109 Uiso calc U P R 0.63(6) A 2
C C68B 0.7120(12) 0.6242(18) 0.6020(8) 0.121(14) Uani d U P G 0.63(6) A 2
H H68B 0.749002 0.646097 0.610507 0.145 Uiso calc U P R 0.63(6) A 2
C C69B 0.6972(13) 0.6474(17) 0.5798(7) 0.084(9) Uani d U P G 0.63(6) A 2
H H69B 0.724119 0.685166 0.573119 0.101 Uiso calc U P R 0.63(6) A 2
C C70B 0.6431(14) 0.6154(17) 0.5673(6) 0.089(9) Uani d U P G 0.63(6) A 2
H H70B 0.632956 0.631265 0.552125 0.107 Uiso calc U P R 0.63(6) A 2
C C71 0.5486(6) 0.4825(6) 0.5310(2) 0.059(5) Uani d . . G 1.0 . .
C C72 0.5958(6) 0.4734(7) 0.5316(3) 0.072(6) Uani d . . G 1.0 . .
H H72 0.621755 0.486624 0.546826 0.087 Uiso calc U . R 1.0 . .
C C73 0.6051(6) 0.4451(8) 0.5097(3) 0.091(7) Uani d U . G 1.0 . .
H H73 0.637371 0.438867 0.510057 0.109 Uiso calc U . R 1.0 . .
C C74 0.5672(8) 0.4258(8) 0.4874(3) 0.089(7) Uani d U . G 1.0 . .
H H74 0.573512 0.40641 0.472433 0.107 Uiso calc U . R 1.0 . .
C C75 0.5200(7) 0.4349(8) 0.4869(3) 0.104(9) Uani d U . G 1.0 . .
H H75 0.494037 0.421709 0.471578 0.125 Uiso calc U . R 1.0 . .
C C76 0.5107(6) 0.4633(8) 0.5087(3) 0.083(6) Uani d U . G 1.0 . .
H H76 0.478419 0.469466 0.508347 0.099 Uiso calc U . R 1.0 . .
C C77 0.6188(6) 0.7172(7) 0.4046(3) 0.044(3) Uani d . . . 1.0 . .
C C78 0.6618(7) 0.7613(8) 0.3894(3) 0.052(4) Uani d . . . 1.0 . .
H H78 0.695774 0.789194 0.398783 0.062 Uiso calc U . R 1.0 . .
C C79 0.6589(10) 0.7674(10) 0.3627(5) 0.072(6) Uani d . . . 1.0 . .
H H79 0.689549 0.800084 0.35358 0.087 Uiso calc U . R 1.0 . .
C C80 0.6115(7) 0.7266(7) 0.3475(4) 0.047(4) Uani d . . . 1.0 . .
H H80 0.610198 0.730664 0.328028 0.057 Uiso calc U . R 1.0 . .
C C81 0.5657(8) 0.6796(7) 0.3612(4) 0.051(4) Uani d . . . 1.0 . .
H H81 0.53331 0.650972 0.351105 0.061 Uiso calc U . R 1.0 . .
C C82 0.5681(6) 0.6752(6) 0.3897(3) 0.040(3) Uani d . . . 1.0 . .
H H82 0.536326 0.644598 0.399268 0.048 Uiso calc U . R 1.0 . .
C C83 0.6423(5) 0.6568(4) 0.4461(2) 0.043(3) Uani d . . G 1.0 . .
C C84 0.6804(5) 0.6532(5) 0.4276(2) 0.058(4) Uani d . . G 1.0 . .
H H84 0.692644 0.676947 0.411557 0.069 Uiso calc U . R 1.0 . .
C C85 0.7007(6) 0.6148(6) 0.4326(3) 0.083(8) Uani d . . G 1.0 . .
H H85 0.726741 0.612374 0.419955 0.099 Uiso calc U . R 1.0 . .
C C86 0.6828(7) 0.5800(7) 0.4561(3) 0.079(7) Uani d . . G 1.0 . .
H H86 0.696636 0.553829 0.459477 0.095 Uiso calc U . R 1.0 . .
C C87 0.6447(7) 0.5836(6) 0.4746(2) 0.092(9) Uani d . . G 1.0 . .
H H87 0.632432 0.559856 0.490602 0.11 Uiso calc U . R 1.0 . .
C C88 0.6244(5) 0.6220(5) 0.4696(2) 0.061(5) Uani d . . G 1.0 . .
H H88 0.598334 0.62443 0.482205 0.073 Uiso calc U . R 1.0 . .
C C89 0.6743(6) 0.7764(7) 0.4535(3) 0.046(3) Uani d . . . 1.0 . .
C C90 0.7303(8) 0.7852(11) 0.4586(5) 0.079(7) Uani d . . . 1.0 . .
H H90 0.738567 0.754496 0.456244 0.095 Uiso calc U . R 1.0 . .
C C91 0.7735(8) 0.8403(10) 0.4672(6) 0.087(8) Uani d . . . 1.0 . .
H H91 0.812423 0.848251 0.469114 0.104 Uiso calc U . R 1.0 . .
C C92 0.7595(10) 0.8856(10) 0.4732(5) 0.082(7) Uani d . . . 1.0 . .
H H92 0.788619 0.922682 0.479592 0.098 Uiso calc U . R 1.0 . .
C C93 0.7045(8) 0.8739(8) 0.4695(4) 0.054(4) Uani d . . . 1.0 . .
H H93 0.694588 0.902898 0.473521 0.065 Uiso calc U . R 1.0 . .
C C94 0.6618(7) 0.8196(6) 0.4600(3) 0.044(3) Uani d . . . 1.0 . .
H H94 0.623127 0.812169 0.457893 0.052 Uiso calc U . R 1.0 . .
C C95 0.3287(6) 0.3523(6) 0.4480(3) 0.040(3) Uani d . . . 1.0 . .
C C96 0.3345(8) 0.3409(8) 0.4756(4) 0.053(4) Uani d . . . 1.0 . .
H H96 0.356837 0.372202 0.487804 0.064 Uiso calc U . R 1.0 . .
C C97 0.3082(10) 0.2848(9) 0.4851(5) 0.072(6) Uani d . . . 1.0 . .
H H97 0.314652 0.276789 0.503437 0.087 Uiso calc U . R 1.0 . .
C C98 0.2709(8) 0.2388(8) 0.4670(5) 0.070(6) Uani d . . . 1.0 . .
H H98 0.248694 0.200108 0.473652 0.083 Uiso calc U . R 1.0 . .
C C99 0.2676(9) 0.2513(8) 0.4401(4) 0.064(5) Uani d . . . 1.0 . .
H H99 0.246055 0.220805 0.42732 0.076 Uiso calc U . R 1.0 . .
C C100 0.2940(7) 0.3051(7) 0.4320(4) 0.054(4) Uani d . . . 1.0 . .
H H100 0.288808 0.312267 0.413269 0.065 Uiso calc U . R 1.0 . .
C C101 0.3291(6) 0.4269(5) 0.4060(3) 0.037(3) Uani d . . . 1.0 . .
C C102 0.2836(6) 0.4370(6) 0.4067(3) 0.044(3) Uani d . . . 1.0 . .
H H102 0.272514 0.444656 0.424166 0.052 Uiso calc U . R 1.0 . .
C C103 0.2531(7) 0.4368(7) 0.3844(4) 0.048(4) Uani d . . . 1.0 . .
H H103 0.221246 0.443418 0.386346 0.058 Uiso calc U . R 1.0 . .
C C104 0.2679(7) 0.4273(7) 0.3597(4) 0.055(4) Uani d . . . 1.0 . .
H H104 0.24681 0.427392 0.343922 0.066 Uiso calc U . R 1.0 . .
C C105 0.3173(8) 0.4164(7) 0.3565(3) 0.053(4) Uani d . . . 1.0 . .
H H105 0.328486 0.409374 0.338954 0.064 Uiso calc U . R 1.0 . .
C C106 0.3450(7) 0.4169(7) 0.3794(3) 0.046(3) Uani d . . . 1.0 . .
H H106 0.376926 0.410305 0.377979 0.055 Uiso calc U . R 1.0 . .
C C107 0.4378(6) 0.4409(6) 0.4256(3) 0.037(3) Uani d . . . 1.0 . .
C C108 0.4835(7) 0.4969(7) 0.4241(4) 0.049(4) Uani d . . . 1.0 . .
H H108 0.477322 0.527949 0.429248 0.059 Uiso calc U . R 1.0 . .
C C109 0.5380(7) 0.5095(8) 0.4155(4) 0.058(4) Uani d . . . 1.0 . .
H H109 0.569682 0.548356 0.415606 0.07 Uiso calc U . R 1.0 . .
C C110 0.5454(7) 0.4640(8) 0.4065(4) 0.054(4) Uani d . . . 1.0 . .
H H110 0.581938 0.472255 0.39926 0.065 Uiso calc U . R 1.0 . .
C C111 0.5032(7) 0.4102(7) 0.4079(4) 0.050(4) Uani d . . . 1.0 . .
H H111 0.510039 0.379773 0.402354 0.06 Uiso calc U . R 1.0 . .
C C112 0.4486(7) 0.3967(7) 0.4173(4) 0.048(4) Uani d . . . 1.0 . .
H H112 0.418289 0.357217 0.418109 0.058 Uiso calc U . R 1.0 . .
C C113 0.5641(5) 0.3266(6) 0.6336(3) 0.036(3) Uani d . . . 1.0 . .
C C114 0.5204(8) 0.2736(8) 0.6247(4) 0.057(4) Uani d . . . 1.0 . .
H H114 0.495174 0.24531 0.637638 0.069 Uiso calc U . R 1.0 . .
C C115 0.5132(9) 0.2616(11) 0.5963(5) 0.082(7) Uani d . . . 1.0 . .
H H115 0.481538 0.225568 0.590327 0.098 Uiso calc U . R 1.0 . .
C C116 0.5481(8) 0.2978(10) 0.5780(4) 0.066(5) Uani d . . . 1.0 . .
H H116 0.543505 0.287239 0.559041 0.079 Uiso calc U . R 1.0 . .
C C117 0.5964(8) 0.3571(10) 0.5871(4) 0.065(5) Uani d . . . 1.0 . .
H H117 0.6214 0.38558 0.574212 0.078 Uiso calc U . R 1.0 . .
C C118 0.6019(7) 0.3671(7) 0.6137(3) 0.046(3) Uani d . . . 1.0 . .
H H118 0.632873 0.403254 0.619984 0.055 Uiso calc U . R 1.0 . .
C C119 0.5127(6) 0.3072(5) 0.6888(3) 0.038(3) Uani d . . . 1.0 . .
C C120 0.4608(7) 0.2957(8) 0.6774(4) 0.059(5) Uani d . . . 1.0 . .
H H120 0.460159 0.307695 0.658948 0.071 Uiso calc U . R 1.0 . .
C C121 0.4082(7) 0.2664(8) 0.6924(5) 0.069(6) Uani d . . . 1.0 . .
H H121 0.373013 0.259284 0.683925 0.083 Uiso calc U . R 1.0 . .
C C122 0.4070(9) 0.2496(9) 0.7167(6) 0.079(7) Uani d U . . 1.0 . .
H H122 0.370766 0.2289 0.726072 0.095 Uiso calc U . R 1.0 . .
C C123 0.4620(9) 0.2617(8) 0.7314(4) 0.067(6) Uani d . . . 1.0 . .
H H123 0.46228 0.250214 0.749979 0.08 Uiso calc U . R 1.0 . .
C C124 0.5137(7) 0.2920(7) 0.7152(4) 0.054(4) Uani d . . . 1.0 . .
H H124 0.55004 0.301778 0.723329 0.064 Uiso calc U . R 1.0 . .
C C125 0.5975(6) 0.4206(6) 0.6727(3) 0.037(3) Uani d . . . 1.0 . .
C C126 0.5649(8) 0.4401(7) 0.6616(4) 0.056(4) Uani d . . . 1.0 . .
H H126 0.532485 0.415158 0.650455 0.067 Uiso calc U . R 1.0 . .
C C127 0.5787(10) 0.4985(8) 0.6665(6) 0.077(7) Uani d . . . 1.0 . .
H H127 0.555999 0.512863 0.658086 0.093 Uiso calc U . R 1.0 . .
C C128 0.6230(10) 0.5331(8) 0.6828(5) 0.067(5) Uani d . . . 1.0 . .
H H128 0.62992 0.570968 0.687004 0.08 Uiso calc U . R 1.0 . .
C C129 0.6587(9) 0.5148(7) 0.6935(5) 0.074(6) Uani d . . . 1.0 . .
H H129 0.69288 0.541232 0.703271 0.089 Uiso calc U . R 1.0 . .
C C130 0.6452(8) 0.4588(6) 0.6901(4) 0.051(4) Uani d . . . 1.0 . .
H H130 0.667446 0.444762 0.699207 0.061 Uiso calc U . R 1.0 . .
P P7A 0.2197(10) 0.3808(10) 0.2794(4) 0.082(3) Uani d U P G 0.267(10) B 1
F F1A 0.2683(15) 0.3700(18) 0.2658(9) 0.144(15) Uani d U P G 0.267(10) B 1
F F2A 0.1707(15) 0.3913(15) 0.2927(9) 0.110(10) Uani d U P G 0.267(10) B 1
F F3A 0.2489(17) 0.4433(13) 0.2655(8) 0.146(16) Uani d U P G 0.267(10) B 1
F F4A 0.1920(13) 0.3189(10) 0.2940(6) 0.058(5) Uani d U P G 0.267(10) B 1
F F5A 0.1801(18) 0.3528(17) 0.2531(6) 0.161(17) Uani d U P G 0.267(10) B 1
F F6A 0.2599(16) 0.4090(14) 0.3059(7) 0.128(12) Uani d U P G 0.267(10) B 1
P P7B 0.2188(6) 0.3736(6) 0.2766(3) 0.082(3) Uani d U P G 0.400(10) B 2
F F1B 0.2682(9) 0.3617(11) 0.2882(6) 0.144(15) Uani d U P G 0.400(10) B 2
F F2B 0.1696(10) 0.3854(10) 0.2648(6) 0.110(10) Uani d U P G 0.400(10) B 2
F F3B 0.2529(11) 0.4377(7) 0.2887(6) 0.146(16) Uani d U P G 0.400(10) B 2
F F4B 0.1840(8) 0.3085(7) 0.2655(5) 0.058(5) Uani d U P G 0.400(10) B 2
F F5B 0.2531(11) 0.3950(11) 0.2485(4) 0.161(17) Uani d U P G 0.400(10) B 2
F F6B 0.1842(12) 0.3517(11) 0.3051(3) 0.128(12) Uani d U P G 0.400(10) B 2
P P8 0.666667 0.333333 0.49935(15) 0.0506(17) Uani d T P S 1.0 . .
F F7A 0.6170(16) 0.3298(16) 0.5153(7) 0.100(7) Uani d U P . 0.5 C 1
F F8A 0.6784(18) 0.3807(17) 0.4834(7) 0.108(7) Uani d U P . 0.5 C 1
F F7B 0.6131(16) 0.3012(16) 0.5173(8) 0.100(7) Uani d U P . 0.5 C 2
F F8B 0.6374(18) 0.3534(18) 0.4797(7) 0.108(7) Uani d U P . 0.5 C 2
Br Br4 0.4326(3) 0.2628(3) 0.46332(12) 0.1006(18) Uani d U P G 0.465(4) D 1
Br Br5 0.4296(4) 0.2862(5) 0.52806(12) 0.146(3) Uani d U P G 0.465(4) D 1
C C131 0.465(2) 0.265(3) 0.4991(2) 0.104(18) Uani d U P G 0.465(4) D 1
H H13A 0.506884 0.292785 0.498731 0.125 Uiso calc U P R 0.465(4) D 1
H H13B 0.459262 0.225835 0.50322 0.125 Uiso calc U P R 0.465(4) D 1
Br Br6 0.4950(7) 0.2730(8) 0.4854(3) 0.1006(18) Uani d U P G 0.168(4) D 2
Br Br7 0.3977(10) 0.2393(14) 0.4388(5) 0.146(3) Uani d U P G 0.168(4) D 2
C C132 0.426(5) 0.274(8) 0.4744(18) 0.104(18) Uani d U P G 0.168(4) D 2
H H13C 0.43406 0.314297 0.47411 0.125 Uiso calc U P R 0.168(4) D 2
H H13D 0.395091 0.252172 0.48832 0.125 Uiso calc U P R 0.168(4) D 2
C C133 0.9067(14) 0.8340(16) 0.4329(7) 0.063(8) Uani d U P . 0.5667 . .
H H13E 0.933159 0.844844 0.416802 0.075 Uiso calc U P R 0.5667 . .
H H13F 0.885181 0.85525 0.430443 0.075 Uiso calc U P R 0.5667 . .
Br Br8 0.8546(4) 0.7613(5) 0.42693(19) 0.156(3) Uani d U P . 0.5667 . .
Br Br9 0.9523(6) 0.8679(5) 0.4607(3) 0.192(4) Uani d U P . 0.5667 . .
Br Br10 0.7600(6) 0.6695(8) 0.5051(4) 0.112(4) Uani d U P G 0.191(4) E 1
Br Br11 0.8790(7) 0.7860(8) 0.5194(5) 0.138(6) Uani d U P G 0.191(4) E 1
C C134 0.828(2) 0.7053(13) 0.5277(15) 0.07(2) Uani d U P G 0.191(4) E 1
H H13G 0.850083 0.68423 0.525285 0.079 Uiso calc U P R 0.191(4) E 1
H H13H 0.816532 0.701556 0.547364 0.079 Uiso calc U P R 0.191(4) E 1
Br Br12 0.7535(15) 0.5845(13) 0.5291(8) 0.138(6) Uani d U P G 0.109(4) E 2
Br Br13 0.8268(12) 0.7164(12) 0.5082(6) 0.112(4) Uani d U P G 0.109(4) E 2
C C135 0.819(4) 0.660(2) 0.535(2) 0.07(2) Uani d U P G 0.109(4) E 2
H H13I 0.855026 0.657613 0.535399 0.079 Uiso calc U P R 0.109(4) E 2
H H13J 0.815452 0.674142 0.553876 0.079 Uiso calc U P R 0.109(4) E 2
Br Br14 0.3469(11) 0.5970(11) 0.2491(5) 0.123(5) Uani d U P G 0.1667 F -1
Br Br15 0.4208(10) 0.7362(11) 0.2498(5) 0.123(5) Uani d U P G 0.1667 F -1
C C136 0.414(5) 0.6656(13) 0.236(3) 0.123(5) Uani d . P G 0.1667 F -1
H H13K 0.4121 0.666211 0.215141 0.147 Uiso calc U P R 0.1667 F -1
H H13L 0.449307 0.664007 0.240608 0.147 Uiso calc U P R 0.1667 F -1
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C21 Ag1 Ag1 . 3_565 156.5(3) ?
C21 Ag1 Ag1 . 2_665 124.4(3) ?
Ag1 Ag1 Ag1 3_565 2_665 59.999(7) ?
C21 Ag1 Cu2 . . 43.7(3) ?
Ag1 Ag1 Cu2 3_565 . 157.12(4) ?
Ag1 Ag1 Cu2 2_665 . 125.09(6) ?
C21 Ag1 Br2 . 3_565 91.8(3) ?
Ag1 Ag1 Br2 3_565 3_565 79.57(6) ?
Ag1 Ag1 Br2 2_665 3_565 139.52(5) ?
Cu2 Ag1 Br2 . 3_565 92.90(5) ?
C21 Ag1 Ag3 . . 141.2(3) ?
Ag1 Ag1 Ag3 3_565 . 62.26(2) ?
Ag1 Ag1 Ag3 2_665 . 62.26(2) ?
Cu2 Ag1 Ag3 . . 98.96(5) ?
Br2 Ag1 Ag3 3_565 . 102.15(4) ?
C21 Ag1 Ag4 . . 95.8(3) ?
Ag1 Ag1 Ag4 3_565 . 102.06(3) ?
Ag1 Ag1 Ag4 2_665 . 116.07(3) ?
Cu2 Ag1 Ag4 . . 55.10(4) ?
Br2 Ag1 Ag4 3_565 . 71.96(4) ?
Ag3 Ag1 Ag4 . . 56.21(4) ?
C21 Ag1 Ag5 . . 86.8(3) ?
Ag1 Ag1 Ag5 3_565 . 115.41(3) ?
Ag1 Ag1 Ag5 2_665 . 74.67(4) ?
Cu2 Ag1 Ag5 . . 54.29(4) ?
Br2 Ag1 Ag5 3_565 . 130.32(5) ?
Ag3 Ag1 Ag5 . . 56.56(4) ?
Ag4 Ag1 Ag5 . . 58.85(4) ?
C1 Ag2 Ag5 . . 155.6(3) ?
C1 Ag2 Ag4 . 2_665 127.1(3) ?
Ag5 Ag2 Ag4 . 2_665 60.05(4) ?
C1 Ag2 Cu1 . . 42.4(3) ?
Ag5 Ag2 Cu1 . . 158.05(5) ?
Ag4 Ag2 Cu1 2_665 . 125.77(5) ?
C1 Ag2 Br1 . . 89.7(3) ?
Ag5 Ag2 Br1 . . 78.99(4) ?
Ag4 Ag2 Br1 2_665 . 139.00(5) ?
Cu1 Ag2 Br1 . . 92.88(4) ?
C1 Ag2 Ag3 . . 142.2(3) ?
Ag5 Ag2 Ag3 . . 62.04(5) ?
Ag4 Ag2 Ag3 2_665 . 61.24(3) ?
Cu1 Ag2 Ag3 . . 100.67(6) ?
Br1 Ag2 Ag3 . . 102.46(4) ?
C1 Ag2 Ag2 . 3_565 94.3(3) ?
Ag5 Ag2 Ag2 . 3_565 102.53(4) ?
Ag4 Ag2 Ag2 2_665 3_565 116.15(3) ?
Cu1 Ag2 Ag2 . 3_565 55.52(3) ?
Br1 Ag2 Ag2 . 3_565 72.09(5) ?
Ag3 Ag2 Ag2 . 3_565 57.36(3) ?
C1 Ag2 Ag2 . 2_665 87.8(3) ?
Ag5 Ag2 Ag2 . 2_665 115.90(3) ?
Ag4 Ag2 Ag2 2_665 2_665 73.95(4) ?
Cu1 Ag2 Ag2 . 2_665 55.53(4) ?
Br1 Ag2 Ag2 . 2_665 131.65(5) ?
Ag3 Ag2 Ag2 . 2_665 57.36(3) ?
Ag2 Ag2 Ag2 3_565 2_665 60.00(3) ?
Ag4 Ag3 Ag4 3_565 2_665 118.09(3) ?
Ag4 Ag3 Ag4 3_565 . 118.095(19) ?
Ag4 Ag3 Ag4 2_665 . 118.09(3) ?
Ag4 Ag3 Ag5 3_565 3_565 65.64(3) ?
Ag4 Ag3 Ag5 2_665 3_565 173.23(5) ?
Ag4 Ag3 Ag5 . 3_565 56.16(4) ?
Ag4 Ag3 Ag5 3_565 . 173.23(5) ?
Ag4 Ag3 Ag5 2_665 . 56.15(3) ?
Ag4 Ag3 Ag5 . . 65.64(3) ?
Ag5 Ag3 Ag5 3_565 . 119.684(17) ?
Ag4 Ag3 Ag5 3_565 2_665 56.15(3) ?
Ag4 Ag3 Ag5 2_665 2_665 65.64(4) ?
Ag4 Ag3 Ag5 . 2_665 173.23(5) ?
Ag5 Ag3 Ag5 3_565 2_665 119.68(3) ?
Ag5 Ag3 Ag5 . 2_665 119.684(14) ?
Ag4 Ag3 Ag1 3_565 3_565 66.61(4) ?
Ag4 Ag3 Ag1 2_665 3_565 119.54(5) ?
Ag4 Ag3 Ag1 . 3_565 104.84(4) ?
Ag5 Ag3 Ag1 3_565 3_565 66.86(3) ?
Ag5 Ag3 Ag1 . 3_565 118.73(5) ?
Ag5 Ag3 Ag1 2_665 3_565 76.66(4) ?
Ag4 Ag3 Ag1 3_565 2_665 104.84(4) ?
Ag4 Ag3 Ag1 2_665 2_665 66.61(3) ?
Ag4 Ag3 Ag1 . 2_665 119.54(5) ?
Ag5 Ag3 Ag1 3_565 2_665 118.73(5) ?
Ag5 Ag3 Ag1 . 2_665 76.66(4) ?
Ag5 Ag3 Ag1 2_665 2_665 66.86(3) ?
Ag1 Ag3 Ag1 3_565 2_665 55.48(5) ?
Ag4 Ag3 Ag1 3_565 . 119.54(5) ?
Ag4 Ag3 Ag1 2_665 . 104.84(4) ?
Ag4 Ag3 Ag1 . . 66.61(3) ?
Ag5 Ag3 Ag1 3_565 . 76.66(4) ?
Ag5 Ag3 Ag1 . . 66.86(3) ?
Ag5 Ag3 Ag1 2_665 . 118.73(5) ?
Ag1 Ag3 Ag1 3_565 . 55.48(5) ?
Ag1 Ag3 Ag1 2_665 . 55.48(4) ?
Ag4 Ag3 Ag2 3_565 . 118.80(6) ?
Ag4 Ag3 Ag2 2_665 . 56.09(3) ?
Ag4 Ag3 Ag2 . . 75.49(4) ?
Ag5 Ag3 Ag2 3_565 . 117.35(4) ?
Ag5 Ag3 Ag2 . . 55.65(4) ?
Ag5 Ag3 Ag2 2_665 . 103.75(4) ?
Ag1 Ag3 Ag2 3_565 . 173.90(4) ?
Ag1 Ag3 Ag2 2_665 . 118.90(4) ?
Ag1 Ag3 Ag2 . . 120.12(4) ?
Ag4 Ag3 Ag2 3_565 3_565 75.49(3) ?
Ag4 Ag3 Ag2 2_665 3_565 118.79(6) ?
Ag4 Ag3 Ag2 . 3_565 56.09(3) ?
Ag5 Ag3 Ag2 3_565 3_565 55.66(3) ?
Ag5 Ag3 Ag2 . 3_565 103.75(4) ?
Ag5 Ag3 Ag2 2_665 3_565 117.34(4) ?
Ag1 Ag3 Ag2 3_565 3_565 120.12(4) ?
Ag1 Ag3 Ag2 2_665 3_565 173.90(4) ?
Ag1 Ag3 Ag2 . 3_565 118.90(3) ?
Ag2 Ag3 Ag2 . 3_565 65.27(5) ?
Ag4 Ag3 Ag2 3_565 2_665 56.09(3) ?
Ag4 Ag3 Ag2 2_665 2_665 75.49(4) ?
Ag4 Ag3 Ag2 . 2_665 118.80(6) ?
Ag5 Ag3 Ag2 3_565 2_665 103.75(4) ?
Ag5 Ag3 Ag2 . 2_665 117.34(4) ?
Ag5 Ag3 Ag2 2_665 2_665 55.66(3) ?
Ag1 Ag3 Ag2 3_565 2_665 118.90(4) ?
Ag1 Ag3 Ag2 2_665 2_665 120.12(3) ?
Ag1 Ag3 Ag2 . 2_665 173.90(4) ?
Ag2 Ag3 Ag2 . 2_665 65.28(5) ?
Ag2 Ag3 Ag2 3_565 2_665 65.27(5) ?
C31 Ag4 Ag5 . 3_565 124.9(3) ?
C31 Ag4 Ag2 . 3_565 156.4(3) ?
Ag5 Ag4 Ag2 3_565 3_565 59.89(4) ?
C31 Ag4 Cu2 . . 43.0(3) ?
Ag5 Ag4 Cu2 3_565 . 125.82(6) ?
Ag2 Ag4 Cu2 3_565 . 157.62(5) ?
C31 Ag4 Br1 . . 91.4(3) ?
Ag5 Ag4 Br1 3_565 . 138.55(5) ?
Ag2 Ag4 Br1 3_565 . 78.85(6) ?
Cu2 Ag4 Br1 . . 93.79(6) ?
C31 Ag4 Ag3 . . 140.9(3) ?
Ag5 Ag4 Ag3 3_565 . 62.51(3) ?
Ag2 Ag4 Ag3 3_565 . 62.67(4) ?
Cu2 Ag4 Ag3 . . 99.33(5) ?
Br1 Ag4 Ag3 . . 103.41(5) ?
C31 Ag4 Ag5 . . 94.5(3) ?
Ag5 Ag4 Ag5 3_565 . 118.11(5) ?
Ag2 Ag4 Ag5 3_565 . 102.64(4) ?
Cu2 Ag4 Ag5 . . 55.03(4) ?
Br1 Ag4 Ag5 . . 72.23(4) ?
Ag3 Ag4 Ag5 . . 57.67(4) ?
C31 Ag4 Ag1 . . 86.1(3) ?
Ag5 Ag4 Ag1 3_565 . 74.95(4) ?
Ag2 Ag4 Ag1 3_565 . 116.23(4) ?
Cu2 Ag4 Ag1 . . 54.58(4) ?
Br1 Ag4 Ag1 . . 132.77(5) ?
Ag3 Ag4 Ag1 . . 57.18(4) ?
Ag5 Ag4 Ag1 . . 61.01(3) ?
C11 Ag5 Ag2 . . 127.0(3) ?
C11 Ag5 Ag4 . 2_665 156.4(3) ?
Ag2 Ag5 Ag4 . 2_665 60.06(3) ?
C11 Ag5 Cu2 . . 43.9(3) ?
Ag2 Ag5 Cu2 . . 126.49(5) ?
Ag4 Ag5 Cu2 2_665 . 155.40(5) ?
C11 Ag5 Br2 . . 90.0(3) ?
Ag2 Ag5 Br2 . . 138.70(5) ?
Ag4 Ag5 Br2 2_665 . 78.70(4) ?
Cu2 Ag5 Br2 . . 91.98(5) ?
C11 Ag5 Ag3 . . 142.0(3) ?
Ag2 Ag5 Ag3 . . 62.31(4) ?
Ag4 Ag5 Ag3 2_665 . 61.33(3) ?
Cu2 Ag5 Ag3 . . 99.05(4) ?
Br2 Ag5 Ag3 . . 101.28(5) ?
C11 Ag5 Ag4 . . 88.5(3) ?
Ag2 Ag5 Ag4 . . 74.17(4) ?
Ag4 Ag5 Ag4 2_665 . 114.56(5) ?
Cu2 Ag5 Ag4 . . 55.66(4) ?
Br2 Ag5 Ag4 . . 130.87(4) ?
Ag3 Ag5 Ag4 . . 56.69(3) ?
C11 Ag5 Ag1 . . 94.7(3) ?
Ag2 Ag5 Ag1 . . 116.64(5) ?
Ag4 Ag5 Ag1 2_665 . 101.03(4) ?
Cu2 Ag5 Ag1 . . 54.38(4) ?
Br2 Ag5 Ag1 . . 71.07(5) ?
Ag3 Ag5 Ag1 . . 56.58(4) ?
Ag4 Ag5 Ag1 . . 60.13(4) ?
C1 Ag6 P1 3_565 . 132.8(3) ?
C1 Ag6 C1 3_565 . 90.1(5) ?
P1 Ag6 C1 . . 116.2(3) ?
C1 Ag6 Cu1 3_565 . 45.3(3) ?
P1 Ag6 Cu1 . . 142.19(11) ?
C1 Ag6 Cu1 . . 44.9(3) ?
C1 Ag6 Br1 3_565 . 101.0(3) ?
P1 Ag6 Br1 . . 114.78(10) ?
C1 Ag6 Br1 . . 93.3(3) ?
Cu1 Ag6 Br1 . . 100.30(7) ?
C11 Ag7 C31 . . 91.1(4) ?
C11 Ag7 P2 . . 134.4(3) ?
C31 Ag7 P2 . . 116.5(3) ?
C11 Ag7 Cu2 . . 45.9(3) ?
C31 Ag7 Cu2 . . 45.2(3) ?
P2 Ag7 Cu2 . . 143.02(12) ?
C11 Ag7 Br1 . . 97.9(3) ?
C31 Ag7 Br1 . . 92.9(3) ?
P2 Ag7 Br1 . . 114.90(12) ?
Cu2 Ag7 Br1 . . 99.52(7) ?
C21 Ag8 P3 . . 132.5(3) ?
C21 Ag8 C11 . . 91.5(4) ?
P3 Ag8 C11 . . 119.0(3) ?
C21 Ag8 Cu2 . . 46.0(3) ?
P3 Ag8 Cu2 . . 144.31(11) ?
C11 Ag8 Cu2 . . 45.5(3) ?
C21 Ag8 Br2 . . 97.1(3) ?
P3 Ag8 Br2 . . 115.90(10) ?
C11 Ag8 Br2 . . 91.5(3) ?
Cu2 Ag8 Br2 . . 98.07(5) ?
C31 Ag9 P4 . . 135.1(3) ?
C31 Ag9 C21 . . 92.3(4) ?
P4 Ag9 C21 . . 117.4(3) ?
C31 Ag9 Cu2 . . 46.4(3) ?
P4 Ag9 Cu2 . . 145.48(10) ?
C21 Ag9 Cu2 . . 46.1(3) ?
C31 Ag9 Br2 . 3_565 96.7(3) ?
P4 Ag9 Br2 . 3_565 113.62(9) ?
C21 Ag9 Br2 . 3_565 92.3(3) ?
Cu2 Ag9 Br2 . 3_565 98.54(5) ?
P5 Ag10 P5 2_655 3_665 112.27(8) ?
P5 Ag10 P5 2_655 . 112.26(8) ?
P5 Ag10 P5 3_665 . 112.27(8) ?
P5 Ag10 Br3 2_655 . 106.51(9) ?
P5 Ag10 Br3 3_665 . 106.51(9) ?
P5 Ag10 Br3 . . 106.51(9) ?
C1 Cu1 C1 2_665 3_565 118.59(16) ?
C1 Cu1 C1 2_665 . 118.59(16) ?
C1 Cu1 C1 3_565 . 118.59(16) ?
C1 Cu1 Ag6 2_665 2_665 60.2(4) ?
C1 Cu1 Ag6 3_565 2_665 159.1(4) ?
C1 Cu1 Ag6 . 2_665 58.4(4) ?
C1 Cu1 Ag6 2_665 3_565 58.4(4) ?
C1 Cu1 Ag6 3_565 3_565 60.2(4) ?
C1 Cu1 Ag6 . 3_565 159.1(4) ?
Ag6 Cu1 Ag6 2_665 3_565 114.37(4) ?
C1 Cu1 Ag6 2_665 . 159.1(4) ?
C1 Cu1 Ag6 3_565 . 58.4(4) ?
C1 Cu1 Ag6 . . 60.2(4) ?
Ag6 Cu1 Ag6 2_665 . 114.37(5) ?
Ag6 Cu1 Ag6 3_565 . 114.37(5) ?
C1 Cu1 Ag2 2_665 3_565 109.4(4) ?
C1 Cu1 Ag2 3_565 3_565 56.5(4) ?
C1 Cu1 Ag2 . 3_565 119.4(4) ?
Ag6 Cu1 Ag2 2_665 3_565 144.28(9) ?
Ag6 Cu1 Ag2 3_565 3_565 78.42(4) ?
Ag6 Cu1 Ag2 . 3_565 86.37(4) ?
C1 Cu1 Ag2 2_665 2_665 56.5(4) ?
C1 Cu1 Ag2 3_565 2_665 119.4(4) ?
C1 Cu1 Ag2 . 2_665 109.4(4) ?
Ag6 Cu1 Ag2 2_665 2_665 78.42(4) ?
Ag6 Cu1 Ag2 3_565 2_665 86.37(5) ?
Ag6 Cu1 Ag2 . 2_665 144.28(9) ?
Ag2 Cu1 Ag2 3_565 2_665 68.95(6) ?
C1 Cu1 Ag2 2_665 . 119.4(4) ?
C1 Cu1 Ag2 3_565 . 109.4(4) ?
C1 Cu1 Ag2 . . 56.5(4) ?
Ag6 Cu1 Ag2 2_665 . 86.37(4) ?
Ag6 Cu1 Ag2 3_565 . 144.28(9) ?
Ag6 Cu1 Ag2 . . 78.42(5) ?
Ag2 Cu1 Ag2 3_565 . 68.95(6) ?
Ag2 Cu1 Ag2 2_665 . 68.95(7) ?
C31 Cu2 C11 . . 118.9(6) ?
C31 Cu2 C21 . . 119.1(5) ?
C11 Cu2 C21 . . 118.1(6) ?
C31 Cu2 Ag9 . . 58.0(4) ?
C11 Cu2 Ag9 . . 157.0(3) ?
C21 Cu2 Ag9 . . 61.3(4) ?
C31 Cu2 Ag7 . . 60.1(4) ?
C11 Cu2 Ag7 . . 58.9(4) ?
C21 Cu2 Ag7 . . 157.2(3) ?
Ag9 Cu2 Ag7 . . 111.74(7) ?
C31 Cu2 Ag8 . . 157.3(3) ?
C11 Cu2 Ag8 . . 60.3(4) ?
C21 Cu2 Ag8 . . 57.9(4) ?
Ag9 Cu2 Ag8 . . 112.84(7) ?
Ag7 Cu2 Ag8 . . 113.00(7) ?
C31 Cu2 Ag5 . . 119.5(4) ?
C11 Cu2 Ag5 . . 54.9(3) ?
C21 Cu2 Ag5 . . 109.5(3) ?
Ag9 Cu2 Ag5 . . 148.10(6) ?
Ag7 Cu2 Ag5 . . 87.41(6) ?
Ag8 Cu2 Ag5 . . 79.73(5) ?
C31 Cu2 Ag1 . . 108.1(4) ?
C11 Cu2 Ag1 . . 120.4(3) ?
C21 Cu2 Ag1 . . 55.9(3) ?
Ag9 Cu2 Ag1 . . 79.50(5) ?
Ag7 Cu2 Ag1 . . 146.69(7) ?
Ag8 Cu2 Ag1 . . 88.72(6) ?
Ag5 Cu2 Ag1 . . 71.34(4) ?
C31 Cu2 Ag4 . . 55.8(3) ?
C11 Cu2 Ag4 . . 107.8(4) ?
C21 Cu2 Ag4 . . 121.3(4) ?
Ag9 Cu2 Ag4 . . 89.14(6) ?
Ag7 Cu2 Ag4 . . 78.37(6) ?
Ag8 Cu2 Ag4 . . 146.69(6) ?
Ag5 Cu2 Ag4 . . 69.31(4) ?
Ag1 Cu2 Ag4 . . 70.32(5) ?
Ag6 Br1 Ag7 . . 159.64(6) ?
Ag6 Br1 Ag2 . . 76.97(4) ?
Ag7 Br1 Ag2 . . 120.45(6) ?
Ag6 Br1 Ag4 . . 120.89(6) ?
Ag7 Br1 Ag4 . . 75.62(6) ?
Ag2 Br1 Ag4 . . 78.65(4) ?
Ag8 Br2 Ag9 . 2_665 159.24(5) ?
Ag8 Br2 Ag1 . 2_665 121.18(5) ?
Ag9 Br2 Ag1 2_665 2_665 75.73(4) ?
Ag8 Br2 Ag5 . . 76.47(4) ?
Ag9 Br2 Ag5 2_665 . 120.99(5) ?
Ag1 Br2 Ag5 2_665 . 79.91(4) ?
C47 P1 C41 . . 103.5(7) ?
C47 P1 C53 . . 103.7(7) ?
C41 P1 C53 . . 105.5(7) ?
C47 P1 Ag6 . . 117.5(6) ?
C41 P1 Ag6 . . 112.4(5) ?
C53 P1 Ag6 . . 113.0(5) ?
C65A P2 C59 . . 96.3(19) ?
C65A P2 C71 . . 98.1(18) ?
C59 P2 C71 . . 106.7(8) ?
C59 P2 C65B . . 105.4(11) ?
C71 P2 C65B . . 105.2(12) ?
C65A P2 Ag7 . . 130.2(16) ?
C59 P2 Ag7 . . 111.5(6) ?
C71 P2 Ag7 . . 111.3(5) ?
C65B P2 Ag7 . . 116.0(11) ?
C77 P3 C89 . . 103.1(7) ?
C77 P3 C83 . . 103.4(6) ?
C89 P3 C83 . . 105.2(7) ?
C77 P3 Ag8 . . 118.0(5) ?
C89 P3 Ag8 . . 113.1(5) ?
C83 P3 Ag8 . . 112.6(4) ?
C101 P4 C95 . . 103.0(7) ?
C101 P4 C107 . . 104.8(6) ?
C95 P4 C107 . . 104.3(6) ?
C101 P4 Ag9 . . 112.7(4) ?
C95 P4 Ag9 . . 117.1(5) ?
C107 P4 Ag9 . . 113.5(5) ?
C125 P5 C119 . . 100.0(6) ?
C125 P5 C113 . . 103.6(7) ?
C119 P5 C113 . . 105.1(6) ?
C125 P5 Ag10 . . 113.4(4) ?
C119 P5 Ag10 . . 120.7(5) ?
C113 P5 Ag10 . . 112.1(4) ?
C2 C1 Cu1 . . 168.9(11) ?
C2 C1 Ag6 . 2_665 99.2(9) ?
Cu1 C1 Ag6 . 2_665 76.3(4) ?
C2 C1 Ag6 . . 113.0(9) ?
Cu1 C1 Ag6 . . 74.9(4) ?
Ag6 C1 Ag6 2_665 . 142.5(6) ?
C2 C1 Ag2 . . 90.5(8) ?
Cu1 C1 Ag2 . . 81.0(4) ?
Ag6 C1 Ag2 2_665 . 105.6(5) ?
Ag6 C1 Ag2 . . 93.2(4) ?
C1 C2 C3 . . 172.4(13) ?
C8 C3 C4 . . 118.2(16) ?
C8 C3 C2 . . 121.9(14) ?
C4 C3 C2 . . 119.9(15) ?
C3 C4 C5 . . 118.(2) ?
C3 C4 H4 . . 121.2 ?
C5 C4 H4 . . 121.2 ?
C6 C5 C4 . . 124.(2) ?
C6 C5 H5 . . 118.1 ?
C4 C5 H5 . . 118.1 ?
C5 C6 C7 . . 116.7(19) ?
C5 C6 C9 . . 123.(3) ?
C7 C6 C9 . . 118.(3) ?
C8 C7 C6 . . 115.(2) ?
C8 C7 H7 . . 122.3 ?
C6 C7 H7 . . 122.3 ?
C3 C8 C7 . . 126.6(19) ?
C3 C8 H8 . . 116.7 ?
C7 C8 H8 . . 116.7 ?
C6 C9 H9A . . 109.5 ?
C6 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C6 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C12 C11 Cu2 . . 172.8(12) ?
C12 C11 Ag5 . . 96.2(10) ?
Cu2 C11 Ag5 . . 81.2(4) ?
C12 C11 Ag7 . . 99.4(11) ?
Cu2 C11 Ag7 . . 75.1(4) ?
Ag5 C11 Ag7 . . 107.7(5) ?
C12 C11 Ag8 . . 112.9(11) ?
Cu2 C11 Ag8 . . 74.2(4) ?
Ag5 C11 Ag8 . . 95.8(4) ?
Ag7 C11 Ag8 . . 137.6(5) ?
C11 C12 C13 . . 169.4(16) ?
C14 C13 C18 . . 121.2(16) ?
C14 C13 C12 . . 118.4(15) ?
C18 C13 C12 . . 119.4(15) ?
C13 C14 C15 . . 114.8(19) ?
C13 C14 H14 . . 122.6 ?
C15 C14 H14 . . 122.6 ?
C16 C15 C14 . . 125.(2) ?
C16 C15 H15 . . 117.6 ?
C14 C15 H15 . . 117.6 ?
C15 C16 C17 . . 116.2(18) ?
C15 C16 C19 . . 129.(3) ?
C17 C16 C19 . . 115.(2) ?
C18 C17 C16 . . 125.1(19) ?
C18 C17 H17 . . 117.4 ?
C16 C17 H17 . . 117.4 ?
C17 C18 C13 . . 115.5(19) ?
C17 C18 H18 . . 122.2 ?
C13 C18 H18 . . 122.2 ?
C16 C19 H19A . . 109.5 ?
C16 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C16 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C22 C21 Cu2 . . 172.2(11) ?
C22 C21 Ag8 . . 101.4(10) ?
Cu2 C21 Ag8 . . 76.0(4) ?
C22 C21 Ag1 . . 93.7(9) ?
Cu2 C21 Ag1 . . 80.4(4) ?
Ag8 C21 Ag1 . . 109.5(5) ?
C22 C21 Ag9 . . 113.1(10) ?
Cu2 C21 Ag9 . . 72.7(4) ?
Ag8 C21 Ag9 . . 137.0(5) ?
Ag1 C21 Ag9 . . 93.6(4) ?
C21 C22 C23 . . 174.8(13) ?
C24 C23 C28 . . 119.1(14) ?
C24 C23 C22 . . 121.3(12) ?
C28 C23 C22 . . 119.6(13) ?
C23 C24 C25 . . 120.9(16) ?
C23 C24 H24 . . 119.6 ?
C25 C24 H24 . . 119.6 ?
C26 C25 C24 . . 121.7(17) ?
C26 C25 H25 . . 119.1 ?
C24 C25 H25 . . 119.1 ?
C25 C26 C27 . . 117.9(15) ?
C25 C26 C29 . . 121.(2) ?
C27 C26 C29 . . 121.(2) ?
C26 C27 C28 . . 120.3(17) ?
C26 C27 H27 . . 119.9 ?
C28 C27 H27 . . 119.9 ?
C23 C28 C27 . . 119.8(16) ?
C23 C28 H28 . . 120.1 ?
C27 C28 H28 . . 120.1 ?
C26 C29 H29A . . 109.5 ?
C26 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C26 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
C32 C31 Cu2 . . 167.0(11) ?
C32 C31 Ag9 . . 98.8(10) ?
Cu2 C31 Ag9 . . 75.7(4) ?
C32 C31 Ag4 . . 89.9(8) ?
Cu2 C31 Ag4 . . 81.2(4) ?
Ag9 C31 Ag4 . . 110.4(5) ?
C32 C31 Ag7 . . 115.7(10) ?
Cu2 C31 Ag7 . . 74.7(4) ?
Ag9 C31 Ag7 . . 138.0(6) ?
Ag4 C31 Ag7 . . 93.7(5) ?
C31 C32 C33 . . 173.5(15) ?
C38 C33 C34 . . 121.3(15) ?
C38 C33 C32 . . 120.3(15) ?
C34 C33 C32 . . 118.4(14) ?
C33 C34 C35 . . 121.6(17) ?
C33 C34 H34 . . 119.2 ?
C35 C34 H34 . . 119.2 ?
C34 C35 C36 . . 115.(2) ?
C34 C35 H35 . . 122.4 ?
C36 C35 H35 . . 122.4 ?
C37 C36 C35 . . 120.4(17) ?
C37 C36 C39 . . 124.9(19) ?
C35 C36 C39 . . 114.(2) ?
C36 C37 C38 . . 123.3(18) ?
C36 C37 H37 . . 118.3 ?
C38 C37 H37 . . 118.3 ?
C33 C38 C37 . . 117.4(19) ?
C33 C38 H38 . . 121.3 ?
C37 C38 H38 . . 121.3 ?
C36 C39 H39A . . 109.5 ?
C36 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C36 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
C46 C41 C42 . . 119.6(14) ?
C46 C41 P1 . . 126.0(12) ?
C42 C41 P1 . . 114.4(12) ?
C43 C42 C41 . . 118.8(14) ?
C43 C42 H42 . . 120.6 ?
C41 C42 H42 . . 120.6 ?
C42 C43 C44 . . 121.1(15) ?
C42 C43 H43 . . 119.4 ?
C44 C43 H43 . . 119.4 ?
C45 C44 C43 . . 118.4(15) ?
C45 C44 H44 . . 120.8 ?
C43 C44 H44 . . 120.8 ?
C44 C45 C46 . . 121.1(16) ?
C44 C45 H45 . . 119.4 ?
C46 C45 H45 . . 119.4 ?
C41 C46 C45 . . 120.9(15) ?
C41 C46 H46 . . 119.6 ?
C45 C46 H46 . . 119.6 ?
C52 C47 C48 . . 117.5(17) ?
C52 C47 P1 . . 124.1(13) ?
C48 C47 P1 . . 118.3(13) ?
C49 C48 C47 . . 121.9(18) ?
C49 C48 H48 . . 119.0 ?
C47 C48 H48 . . 119.0 ?
C48 C49 C50 . . 120.2(19) ?
C48 C49 H49 . . 119.9 ?
C50 C49 H49 . . 119.9 ?
C51 C50 C49 . . 120.7(18) ?
C51 C50 H50 . . 119.7 ?
C49 C50 H50 . . 119.7 ?
C50 C51 C52 . . 117.(2) ?
C50 C51 H51 . . 121.6 ?
C52 C51 H51 . . 121.6 ?
C47 C52 C51 . . 121.9(18) ?
C47 C52 H52 . . 119.1 ?
C51 C52 H52 . . 119.1 ?
C54 C53 C58 . . 121.2(13) ?
C54 C53 P1 . . 122.4(12) ?
C58 C53 P1 . . 116.4(10) ?
C53 C54 C55 . . 119.8(15) ?
C53 C54 H54 . . 120.1 ?
C55 C54 H54 . . 120.1 ?
C56 C55 C54 . . 120.1(15) ?
C56 C55 H55 . . 119.9 ?
C54 C55 H55 . . 119.9 ?
C55 C56 C57 . . 119.0(14) ?
C55 C56 H56 . . 120.5 ?
C57 C56 H56 . . 120.5 ?
C58 C57 C56 . . 119.4(15) ?
C58 C57 H57 . . 120.3 ?
C56 C57 H57 . . 120.3 ?
C57 C58 C53 . . 120.2(14) ?
C57 C58 H58 . . 119.9 ?
C53 C58 H58 . . 119.9 ?
C60 C59 C64 . . 114.6(19) ?
C60 C59 P2 . . 119.3(14) ?
C64 C59 P2 . . 126.0(15) ?
C59 C60 C61 . . 120.6(17) ?
C59 C60 H60 . . 119.7 ?
C61 C60 H60 . . 119.7 ?
C62 C61 C60 . . 123.(2) ?
C62 C61 H61 . . 118.7 ?
C60 C61 H61 . . 118.7 ?
C61 C62 C63 . . 118.(2) ?
C61 C62 H62 . . 121.0 ?
C63 C62 H62 . . 121.0 ?
C64 C63 C62 . . 119.(2) ?
C64 C63 H63 . . 120.6 ?
C62 C63 H63 . . 120.6 ?
C63 C64 C59 . . 125.(2) ?
C63 C64 H64 . . 117.5 ?
C59 C64 H64 . . 117.5 ?
C66A C65A C70A . . 120.0 ?
C66A C65A P2 . . 133.(3) ?
C70A C65A P2 . . 107.(3) ?
C65A C66A C67A . . 120.0 ?
C65A C66A H66A . . 120.0 ?
C67A C66A H66A . . 120.0 ?
C66A C67A C68A . . 120.0 ?
C66A C67A H67A . . 120.0 ?
C68A C67A H67A . . 120.0 ?
C69A C68A C67A . . 120.00(6) ?
C69A C68A H68A . . 120.0 ?
C67A C68A H68A . . 120.0 ?
C68A C69A C70A . . 120.0 ?
C68A C69A H69A . . 120.0 ?
C70A C69A H69A . . 120.0 ?
C69A C70A C65A . . 120.0 ?
C69A C70A H70A . . 120.0 ?
C65A C70A H70A . . 120.0 ?
C66B C65B C70B . . 120.0 ?
C66B C65B P2 . . 121.0(16) ?
C70B C65B P2 . . 119.0(16) ?
C67B C66B C65B . . 120.0 ?
C67B C66B H66B . . 120.0 ?
C65B C66B H66B . . 120.0 ?
C66B C67B C68B . . 120.0 ?
C66B C67B H67B . . 120.0 ?
C68B C67B H67B . . 120.0 ?
C67B C68B C69B . . 120.0 ?
C67B C68B H68B . . 120.0 ?
C69B C68B H68B . . 120.0 ?
C70B C69B C68B . . 120.0 ?
C70B C69B H69B . . 120.0 ?
C68B C69B H69B . . 120.0 ?
C69B C70B C65B . . 120.0 ?
C69B C70B H70B . . 120.0 ?
C65B C70B H70B . . 120.0 ?
C72 C71 C76 . . 120.0 ?
C72 C71 P2 . . 121.8(8) ?
C76 C71 P2 . . 118.2(8) ?
C71 C72 C73 . . 120.0 ?
C71 C72 H72 . . 120.0 ?
C73 C72 H72 . . 120.0 ?
C74 C73 C72 . . 120.0 ?
C74 C73 H73 . . 120.0 ?
C72 C73 H73 . . 120.0 ?
C73 C74 C75 . . 120.0 ?
C73 C74 H74 . . 120.0 ?
C75 C74 H74 . . 120.0 ?
C76 C75 C74 . . 120.0 ?
C76 C75 H75 . . 120.0 ?
C74 C75 H75 . . 120.0 ?
C75 C76 C71 . . 120.0 ?
C75 C76 H76 . . 120.0 ?
C71 C76 H76 . . 120.0 ?
C78 C77 C82 . . 116.5(15) ?
C78 C77 P3 . . 127.7(12) ?
C82 C77 P3 . . 115.7(11) ?
C79 C78 C77 . . 124.2(18) ?
C79 C78 H78 . . 117.9 ?
C77 C78 H78 . . 117.9 ?
C78 C79 C80 . . 120.8(19) ?
C78 C79 H79 . . 119.6 ?
C80 C79 H79 . . 119.6 ?
C79 C80 C81 . . 119.1(17) ?
C79 C80 H80 . . 120.4 ?
C81 C80 H80 . . 120.4 ?
C82 C81 C80 . . 119.4(16) ?
C82 C81 H81 . . 120.3 ?
C80 C81 H81 . . 120.3 ?
C81 C82 C77 . . 119.9(14) ?
C81 C82 H82 . . 120.1 ?
C77 C82 H82 . . 120.1 ?
C84 C83 C88 . . 120.0 ?
C84 C83 P3 . . 122.1(6) ?
C88 C83 P3 . . 117.9(6) ?
C85 C84 C83 . . 120.0 ?
C85 C84 H84 . . 120.0 ?
C83 C84 H84 . . 120.0 ?
C86 C85 C84 . . 120.0 ?
C86 C85 H85 . . 120.0 ?
C84 C85 H85 . . 120.0 ?
C85 C86 C87 . . 120.0 ?
C85 C86 H86 . . 120.0 ?
C87 C86 H86 . . 120.0 ?
C88 C87 C86 . . 120.0 ?
C88 C87 H87 . . 120.0 ?
C86 C87 H87 . . 120.0 ?
C87 C88 C83 . . 120.0 ?
C87 C88 H88 . . 120.0 ?
C83 C88 H88 . . 120.0 ?
C94 C89 C90 . . 119.7(16) ?
C94 C89 P3 . . 118.6(12) ?
C90 C89 P3 . . 121.5(14) ?
C91 C90 C89 . . 118.2(19) ?
C91 C90 H90 . . 120.9 ?
C89 C90 H90 . . 120.9 ?
C90 C91 C92 . . 120.7(18) ?
C90 C91 H91 . . 119.7 ?
C92 C91 H91 . . 119.7 ?
C93 C92 C91 . . 118.7(18) ?
C93 C92 H92 . . 120.7 ?
C91 C92 H92 . . 120.7 ?
C92 C93 C94 . . 120.7(18) ?
C92 C93 H93 . . 119.7 ?
C94 C93 H93 . . 119.7 ?
C89 C94 C93 . . 121.7(15) ?
C89 C94 H94 . . 119.1 ?
C93 C94 H94 . . 119.1 ?
C100 C95 C96 . . 116.3(15) ?
C100 C95 P4 . . 126.7(13) ?
C96 C95 P4 . . 117.0(12) ?
C97 C96 C95 . . 120.5(17) ?
C97 C96 H96 . . 119.8 ?
C95 C96 H96 . . 119.8 ?
C96 C97 C98 . . 118.9(19) ?
C96 C97 H97 . . 120.6 ?
C98 C97 H97 . . 120.6 ?
C99 C98 C97 . . 118.9(18) ?
C99 C98 H98 . . 120.6 ?
C97 C98 H98 . . 120.6 ?
C100 C99 C98 . . 119.6(19) ?
C100 C99 H99 . . 120.2 ?
C98 C99 H99 . . 120.2 ?
C99 C100 C95 . . 125.6(18) ?
C99 C100 H100 . . 117.2 ?
C95 C100 H100 . . 117.2 ?
C102 C101 C106 . . 115.8(14) ?
C102 C101 P4 . . 120.9(11) ?
C106 C101 P4 . . 123.3(11) ?
C103 C102 C101 . . 124.6(16) ?
C103 C102 H102 . . 117.7 ?
C101 C102 H102 . . 117.7 ?
C104 C103 C102 . . 119.3(15) ?
C104 C103 H103 . . 120.4 ?
C102 C103 H103 . . 120.4 ?
C103 C104 C105 . . 120.6(15) ?
C103 C104 H104 . . 119.7 ?
C105 C104 H104 . . 119.7 ?
C106 C105 C104 . . 116.7(16) ?
C106 C105 H105 . . 121.7 ?
C104 C105 H105 . . 121.7 ?
C105 C106 C101 . . 123.0(15) ?
C105 C106 H106 . . 118.5 ?
C101 C106 H106 . . 118.5 ?
C108 C107 C112 . . 117.0(14) ?
C108 C107 P4 . . 119.3(11) ?
C112 C107 P4 . . 123.7(11) ?
C107 C108 C109 . . 122.1(15) ?
C107 C108 H108 . . 119.0 ?
C109 C108 H108 . . 119.0 ?
C108 C109 C110 . . 118.1(16) ?
C108 C109 H109 . . 120.9 ?
C110 C109 H109 . . 120.9 ?
C111 C110 C109 . . 121.5(15) ?
C111 C110 H110 . . 119.3 ?
C109 C110 H110 . . 119.3 ?
C110 C111 C112 . . 120.9(15) ?
C110 C111 H111 . . 119.5 ?
C112 C111 H111 . . 119.5 ?
C111 C112 C107 . . 120.2(15) ?
C111 C112 H112 . . 119.9 ?
C107 C112 H112 . . 119.9 ?
C114 C113 C118 . . 118.7(14) ?
C114 C113 P5 . . 123.6(12) ?
C118 C113 P5 . . 117.3(10) ?
C113 C114 C115 . . 119.4(19) ?
C113 C114 H114 . . 120.3 ?
C115 C114 H114 . . 120.3 ?
C116 C115 C114 . . 122.5(19) ?
C116 C115 H115 . . 118.7 ?
C114 C115 H115 . . 118.7 ?
C115 C116 C117 . . 119.3(16) ?
C115 C116 H116 . . 120.3 ?
C117 C116 H116 . . 120.3 ?
C118 C117 C116 . . 116.6(17) ?
C118 C117 H117 . . 121.7 ?
C116 C117 H117 . . 121.7 ?
C117 C118 C113 . . 123.4(16) ?
C117 C118 H118 . . 118.3 ?
C113 C118 H118 . . 118.3 ?
C124 C119 C120 . . 119.1(14) ?
C124 C119 P5 . . 117.4(12) ?
C120 C119 P5 . . 123.4(13) ?
C119 C120 C121 . . 121.(2) ?
C119 C120 H120 . . 119.3 ?
C121 C120 H120 . . 119.3 ?
C122 C121 C120 . . 122.(2) ?
C122 C121 H121 . . 119.2 ?
C120 C121 H121 . . 119.2 ?
C121 C122 C123 . . 121.1(16) ?
C121 C122 H122 . . 119.4 ?
C123 C122 H122 . . 119.4 ?
C124 C123 C122 . . 114.6(18) ?
C124 C123 H123 . . 122.7 ?
C122 C123 H123 . . 122.7 ?
C119 C124 C123 . . 122.2(19) ?
C119 C124 H124 . . 118.9 ?
C123 C124 H124 . . 118.9 ?
C126 C125 C130 . . 118.7(15) ?
C126 C125 P5 . . 124.9(12) ?
C130 C125 P5 . . 116.1(10) ?
C125 C126 C127 . . 119.8(19) ?
C125 C126 H126 . . 120.1 ?
C127 C126 H126 . . 120.1 ?
C128 C127 C126 . . 120.(2) ?
C128 C127 H127 . . 119.8 ?
C126 C127 H127 . . 119.8 ?
C127 C128 C129 . . 120.8(17) ?
C127 C128 H128 . . 119.6 ?
C129 C128 H128 . . 119.6 ?
C130 C129 C128 . . 119.6(18) ?
C130 C129 H129 . . 120.2 ?
C128 C129 H129 . . 120.2 ?
C129 C130 C125 . . 120.3(16) ?
C129 C130 H130 . . 119.9 ?
C125 C130 H130 . . 119.9 ?
F5A P7A F3A . . 90.8 ?
F5A P7A F4A . . 90.9 ?
F3A P7A F4A . . 178.16(6) ?
F5A P7A F1A . . 89.6 ?
F3A P7A F1A . . 89.9 ?
F4A P7A F1A . . 89.6 ?
F5A P7A F2A . . 90.0 ?
F3A P7A F2A . . 90.3 ?
F4A P7A F2A . . 90.2 ?
F1A P7A F2A . . 179.60(18) ?
F5A P7A F6A . . 179.82(11) ?
F3A P7A F6A . . 89.2 ?
F4A P7A F6A . . 89.0 ?
F1A P7A F6A . . 90.2 ?
F2A P7A F6A . . 90.1 ?
F5B P7B F3B . . 90.9 ?
F5B P7B F4B . . 90.9 ?
F3B P7B F4B . . 178.18(9) ?
F5B P7B F1B . . 89.6 ?
F3B P7B F1B . . 89.9 ?
F4B P7B F1B . . 89.6 ?
F5B P7B F2B . . 90.0 ?
F3B P7B F2B . . 90.3 ?
F4B P7B F2B . . 90.2 ?
F1B P7B F2B . . 179.60(12) ?
F5B P7B F6B . . 179.83(6) ?
F3B P7B F6B . . 89.2 ?
F4B P7B F6B . . 89.1 ?
F1B P7B F6B . . 90.2 ?
F2B P7B F6B . . 90.2 ?
F8A P8 F8A . 3_665 91.(2) ?
F8A P8 F8A . 2_655 91.(2) ?
F8A P8 F8A 3_665 2_655 91.(2) ?
F8A P8 F8B . 2_655 105.2(18) ?
F8A P8 F8B 3_665 2_655 54.8(17) ?
F8A P8 F8B 2_655 2_655 39.6(16) ?
F8A P8 F8B . 3_665 54.8(17) ?
F8A P8 F8B 3_665 3_665 39.6(17) ?
F8A P8 F8B 2_655 3_665 105.2(18) ?
F8B P8 F8B 2_655 . 83.(2) ?
F8B P8 F8B 3_665 . 83.(2) ?
F8A P8 F7A . . 98.(2) ?
F8A P8 F7A 3_665 . 165.(2) ?
F8A P8 F7A 2_655 . 77.(2) ?
F8A P8 F7A . 2_655 165.(2) ?
F8A P8 F7A 3_665 2_655 77.(2) ?
F8A P8 F7A 2_655 2_655 98.(2) ?
F8B P8 F7A 2_655 2_655 76.(2) ?
F8B P8 F7A 3_665 2_655 111.(2) ?
F8B P8 F7A . 2_655 152.(2) ?
F7A P8 F7A . 2_655 96.(2) ?
F8A P8 F7A . 3_665 77.(2) ?
F8A P8 F7A 3_665 3_665 98.(2) ?
F8A P8 F7A 2_655 3_665 165.(2) ?
F7A P8 F7A . 3_665 96.(2) ?
F7A P8 F7A 2_655 3_665 96.(2) ?
F8A P8 F7B . 2_655 139.(2) ?
F8A P8 F7B 3_665 2_655 70.(2) ?
F8A P8 F7B 2_655 2_655 124.(2) ?
F8B P8 F7B 2_655 2_655 93.(2) ?
F8B P8 F7B 3_665 2_655 93.(2) ?
F8B P8 F7B . 2_655 175.(2) ?
F7A P8 F7B . 2_655 109.0(16) ?
F7A P8 F7B 2_655 2_655 27.7(16) ?
F7A P8 F7B 3_665 2_655 70.5(16) ?
F8A P8 F7B . 3_665 70.(2) ?
F8A P8 F7B 3_665 3_665 124.(2) ?
F8A P8 F7B 2_655 3_665 139.(2) ?
F7A P8 F7B . 3_665 70.5(16) ?
F7A P8 F7B 2_655 3_665 109.0(16) ?
F7A P8 F7B 3_665 3_665 27.7(16) ?
F8B P8 F7B 2_655 . 93.(2) ?
F8B P8 F7B 3_665 . 175.(2) ?
F8B P8 F7B . . 93.(2) ?
F7B P8 F7B 2_655 . 90.(2) ?
F7B P8 F7B 3_665 . 90.(2) ?
P8 F7A F8A . 2_655 48.6(16) ?
P8 F8A F7A . 3_665 54.6(17) ?
Br4 C131 Br5 . . 113.2 ?
Br4 C131 H13A . . 108.9 ?
Br5 C131 H13A . . 108.9 ?
Br4 C131 H13B . . 108.9 ?
Br5 C131 H13B . . 108.9 ?
H13A C131 H13B . . 107.7 ?
Br6 C132 Br7 . . 113.2 ?
Br6 C132 H13C . . 108.9 ?
Br7 C132 H13C . . 108.9 ?
Br6 C132 H13D . . 108.9 ?
Br7 C132 H13D . . 108.9 ?
H13C C132 H13D . . 107.8 ?
Br9 C133 Br8 . . 132.(2) ?
Br9 C133 H13E . . 104.3 ?
Br8 C133 H13E . . 104.3 ?
Br9 C133 H13F . . 104.3 ?
Br8 C133 H13F . . 104.3 ?
H13E C133 H13F . . 105.6 ?
Br10 C134 Br11 . . 113.2 ?
Br10 C134 H13G . . 108.9 ?
Br11 C134 H13G . . 108.9 ?
Br10 C134 H13H . . 108.9 ?
Br11 C134 H13H . . 108.9 ?
H13G C134 H13H . . 107.8 ?
Br12 C135 Br13 . . 113.2 ?
Br12 C135 H13I . . 108.9 ?
Br13 C135 H13I . . 108.9 ?
Br12 C135 H13J . . 108.9 ?
Br13 C135 H13J . . 108.9 ?
H13I C135 H13J . . 107.8 ?
Br14 C136 Br15 . . 113.2 ?
Br14 C136 H13K . . 108.9 ?
Br15 C136 H13K . . 108.9 ?
Br14 C136 H13L . . 108.9 ?
Br15 C136 H13L . . 108.9 ?
H13K C136 H13L . . 107.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 C21 . 2.409(12) ?
Ag1 Ag1 3_565 2.824(2) ?
Ag1 Ag1 2_665 2.8239(15) ?
Ag1 Cu2 . 2.8672(19) ?
Ag1 Br2 3_565 2.9100(15) ?
Ag1 Ag3 . 3.0335(19) ?
Ag1 Ag4 . 3.3131(19) ?
Ag1 Ag5 . 3.3419(17) ?
Ag2 C1 . 2.446(13) ?
Ag2 Ag5 . 2.8349(17) ?
Ag2 Ag4 2_665 2.8399(15) ?
Ag2 Cu1 . 2.897(2) ?
Ag2 Br1 . 2.9164(15) ?
Ag2 Ag3 . 3.0402(18) ?
Ag2 Ag2 3_565 3.2793(19) ?
Ag2 Ag2 2_665 3.279(2) ?
Ag3 Ag4 3_565 2.9997(18) ?
Ag3 Ag4 2_665 2.9997(11) ?
Ag3 Ag4 . 2.9997(9) ?
Ag3 Ag5 3_565 3.0327(10) ?
Ag3 Ag5 . 3.0328(19) ?
Ag3 Ag5 2_665 3.0328(9) ?
Ag4 C31 . 2.415(11) ?
Ag4 Ag5 3_565 2.8395(19) ?
Ag4 Cu2 . 2.886(2) ?
Ag4 Br1 . 2.9181(19) ?
Ag4 Ag5 . 3.2698(14) ?
Ag5 C11 . 2.371(11) ?
Ag5 Cu2 . 2.8640(17) ?
Ag5 Br2 . 2.9480(19) ?
Ag6 C1 3_565 2.374(12) ?
Ag6 P1 . 2.397(4) ?
Ag6 C1 . 2.433(13) ?
Ag6 Cu1 . 2.7077(14) ?
Ag6 Br1 . 2.779(2) ?
Ag7 C11 . 2.396(13) ?
Ag7 C31 . 2.429(14) ?
Ag7 P2 . 2.442(6) ?
Ag7 Cu2 . 2.703(2) ?
Ag7 Br1 . 2.847(2) ?
Ag8 C21 . 2.366(13) ?
Ag8 P3 . 2.392(4) ?
Ag8 C11 . 2.446(14) ?
Ag8 Cu2 . 2.7100(19) ?
Ag8 Br2 . 2.8255(16) ?
Ag9 C31 . 2.331(13) ?
Ag9 P4 . 2.354(4) ?
Ag9 C21 . 2.447(13) ?
Ag9 Cu2 . 2.6647(18) ?
Ag9 Br2 3_565 2.858(2) ?
Ag10 P5 2_655 2.505(3) ?
Ag10 P5 3_665 2.505(4) ?
Ag10 P5 . 2.505(4) ?
Ag10 Br3 . 2.647(4) ?
Cu1 C1 2_665 1.979(12) ?
Cu1 C1 3_565 1.979(12) ?
Cu1 C1 . 1.979(12) ?
Cu2 C31 . 1.990(13) ?
Cu2 C11 . 2.009(13) ?
Cu2 C21 . 2.010(13) ?
P1 C47 . 1.818(19) ?
P1 C41 . 1.831(15) ?
P1 C53 . 1.841(14) ?
P2 C65A . 1.68(3) ?
P2 C59 . 1.77(2) ?
P2 C71 . 1.790(10) ?
P2 C65B . 1.84(3) ?
P3 C77 . 1.794(17) ?
P3 C89 . 1.803(15) ?
P3 C83 . 1.810(8) ?
P4 C101 . 1.805(15) ?
P4 C95 . 1.817(15) ?
P4 C107 . 1.831(15) ?
P5 C125 . 1.842(15) ?
P5 C119 . 1.843(14) ?
P5 C113 . 1.845(14) ?
C1 C2 . 1.249(18) ?
C2 C3 . 1.40(2) ?
C3 C8 . 1.37(2) ?
C3 C4 . 1.38(3) ?
C4 C5 . 1.42(3) ?
C4 H4 . 0.95 ?
C5 C6 . 1.37(4) ?
C5 H5 . 0.95 ?
C6 C7 . 1.48(4) ?
C6 C9 . 1.57(4) ?
C7 C8 . 1.38(3) ?
C7 H7 . 0.95 ?
C8 H8 . 0.95 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C11 C12 . 1.164(19) ?
C12 C13 . 1.48(2) ?
C13 C14 . 1.37(3) ?
C13 C18 . 1.41(2) ?
C14 C15 . 1.51(3) ?
C14 H14 . 0.95 ?
C15 C16 . 1.25(3) ?
C15 H15 . 0.95 ?
C16 C17 . 1.41(4) ?
C16 C19 . 1.47(3) ?
C17 C18 . 1.40(3) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C21 C22 . 1.182(18) ?
C22 C23 . 1.475(19) ?
C23 C24 . 1.35(2) ?
C23 C28 . 1.38(2) ?
C24 C25 . 1.38(2) ?
C24 H24 . 0.95 ?
C25 C26 . 1.35(3) ?
C25 H25 . 0.95 ?
C26 C27 . 1.38(3) ?
C26 C29 . 1.55(3) ?
C27 C28 . 1.40(2) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C29 H29A . 0.98 ?
C29 H29B . 0.98 ?
C29 H29C . 0.98 ?
C31 C32 . 1.26(2) ?
C32 C33 . 1.43(2) ?
C33 C38 . 1.38(2) ?
C33 C34 . 1.40(2) ?
C34 C35 . 1.44(2) ?
C34 H34 . 0.95 ?
C35 C36 . 1.44(3) ?
C35 H35 . 0.95 ?
C36 C37 . 1.36(3) ?
C36 C39 . 1.57(3) ?
C37 C38 . 1.40(3) ?
C37 H37 . 0.95 ?
C38 H38 . 0.95 ?
C39 H39A . 0.98 ?
C39 H39B . 0.98 ?
C39 H39C . 0.98 ?
C41 C46 . 1.30(2) ?
C41 C42 . 1.44(2) ?
C42 C43 . 1.36(2) ?
C42 H42 . 0.95 ?
C43 C44 . 1.40(3) ?
C43 H43 . 0.95 ?
C44 C45 . 1.34(3) ?
C44 H44 . 0.95 ?
C45 C46 . 1.43(2) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
C47 C52 . 1.34(2) ?
C47 C48 . 1.43(2) ?
C48 C49 . 1.29(3) ?
C48 H48 . 0.95 ?
C49 C50 . 1.39(3) ?
C49 H49 . 0.95 ?
C50 C51 . 1.38(3) ?
C50 H50 . 0.95 ?
C51 C52 . 1.41(2) ?
C51 H51 . 0.95 ?
C52 H52 . 0.95 ?
C53 C54 . 1.34(2) ?
C53 C58 . 1.38(2) ?
C54 C55 . 1.39(2) ?
C54 H54 . 0.95 ?
C55 C56 . 1.38(2) ?
C55 H55 . 0.95 ?
C56 C57 . 1.41(2) ?
C56 H56 . 0.95 ?
C57 C58 . 1.36(2) ?
C57 H57 . 0.95 ?
C58 H58 . 0.95 ?
C59 C60 . 1.37(2) ?
C59 C64 . 1.42(2) ?
C60 C61 . 1.40(3) ?
C60 H60 . 0.95 ?
C61 C62 . 1.36(3) ?
C61 H61 . 0.95 ?
C62 C63 . 1.38(3) ?
C62 H62 . 0.95 ?
C63 C64 . 1.34(3) ?
C63 H63 . 0.95 ?
C64 H64 . 0.95 ?
C65A C66A . 1.39 ?
C65A C70A . 1.39 ?
C66A C67A . 1.39 ?
C66A H66A . 0.95 ?
C67A C68A . 1.39 ?
C67A H67A . 0.95 ?
C68A C69A . 1.39 ?
C68A H68A . 0.95 ?
C69A C70A . 1.39 ?
C69A H69A . 0.95 ?
C70A H70A . 0.95 ?
C65B C66B . 1.39 ?
C65B C70B . 1.39 ?
C66B C67B . 1.39 ?
C66B H66B . 0.95 ?
C67B C68B . 1.39 ?
C67B H67B . 0.95 ?
C68B C69B . 1.39 ?
C68B H68B . 0.95 ?
C69B C70B . 1.39 ?
C69B H69B . 0.95 ?
C70B H70B . 0.95 ?
C71 C72 . 1.39 ?
C71 C76 . 1.39 ?
C72 C73 . 1.39 ?
C72 H72 . 0.95 ?
C73 C74 . 1.39 ?
C73 H73 . 0.95 ?
C74 C75 . 1.39 ?
C74 H74 . 0.95 ?
C75 C76 . 1.39 ?
C75 H75 . 0.95 ?
C76 H76 . 0.95 ?
C77 C78 . 1.37(2) ?
C77 C82 . 1.44(2) ?
C78 C79 . 1.31(3) ?
C78 H78 . 0.95 ?
C79 C80 . 1.39(3) ?
C79 H79 . 0.95 ?
C80 C81 . 1.40(3) ?
C80 H80 . 0.95 ?
C81 C82 . 1.39(2) ?
C81 H81 . 0.95 ?
C82 H82 . 0.95 ?
C83 C84 . 1.39 ?
C83 C88 . 1.39 ?
C84 C85 . 1.39 ?
C84 H84 . 0.95 ?
C85 C86 . 1.39 ?
C85 H85 . 0.95 ?
C86 C87 . 1.39 ?
C86 H86 . 0.95 ?
C87 C88 . 1.39 ?
C87 H87 . 0.95 ?
C88 H88 . 0.95 ?
C89 C94 . 1.38(2) ?
C89 C90 . 1.41(2) ?
C90 C91 . 1.40(3) ?
C90 H90 . 0.95 ?
C91 C92 . 1.46(3) ?
C91 H91 . 0.95 ?
C92 C93 . 1.34(3) ?
C92 H92 . 0.95 ?
C93 C94 . 1.39(2) ?
C93 H93 . 0.95 ?
C94 H94 . 0.95 ?
C95 C100 . 1.37(2) ?
C95 C96 . 1.39(2) ?
C96 C97 . 1.37(3) ?
C96 H96 . 0.95 ?
C97 C98 . 1.42(3) ?
C97 H97 . 0.95 ?
C98 C99 . 1.36(3) ?
C98 H98 . 0.95 ?
C99 C100 . 1.30(3) ?
C99 H99 . 0.95 ?
C100 H100 . 0.95 ?
C101 C102 . 1.36(2) ?
C101 C106 . 1.42(2) ?
C102 C103 . 1.35(2) ?
C102 H102 . 0.95 ?
C103 C104 . 1.32(3) ?
C103 H103 . 0.95 ?
C104 C105 . 1.49(3) ?
C104 H104 . 0.95 ?
C105 C106 . 1.33(2) ?
C105 H105 . 0.95 ?
C106 H106 . 0.95 ?
C107 C108 . 1.37(2) ?
C107 C112 . 1.40(2) ?
C108 C109 . 1.38(2) ?
C108 H108 . 0.95 ?
C109 C110 . 1.39(2) ?
C109 H109 . 0.95 ?
C110 C111 . 1.30(2) ?
C110 H110 . 0.95 ?
C111 C112 . 1.39(2) ?
C111 H111 . 0.95 ?
C112 H112 . 0.95 ?
C113 C114 . 1.37(2) ?
C113 C118 . 1.42(2) ?
C114 C115 . 1.40(3) ?
C114 H114 . 0.95 ?
C115 C116 . 1.30(3) ?
C115 H115 . 0.95 ?
C116 C117 . 1.52(3) ?
C116 H116 . 0.95 ?
C117 C118 . 1.30(2) ?
C117 H117 . 0.95 ?
C118 H118 . 0.95 ?
C119 C124 . 1.34(2) ?
C119 C120 . 1.37(2) ?
C120 C121 . 1.41(2) ?
C120 H120 . 0.95 ?
C121 C122 . 1.25(4) ?
C121 H121 . 0.95 ?
C122 C123 . 1.51(4) ?
C122 H122 . 0.95 ?
C123 C124 . 1.43(2) ?
C123 H123 . 0.95 ?
C124 H124 . 0.95 ?
C125 C126 . 1.32(2) ?
C125 C130 . 1.43(2) ?
C126 C127 . 1.43(2) ?
C126 H126 . 0.95 ?
C127 C128 . 1.33(3) ?
C127 H127 . 0.95 ?
C128 C129 . 1.37(3) ?
C128 H128 . 0.95 ?
C129 C130 . 1.35(2) ?
C129 H129 . 0.95 ?
C130 H130 . 0.95 ?
P7A F5A . 1.5776 ?
P7A F3A . 1.5866 ?
P7A F4A . 1.5916 ?
P7A F1A . 1.5964 ?
P7A F2A . 1.5965 ?
P7A F6A . 1.5989 ?
P7B F5B . 1.5777 ?
P7B F3B . 1.5866 ?
P7B F4B . 1.5914 ?
P7B F1B . 1.5964 ?
P7B F2B . 1.5965 ?
P7B F6B . 1.5987 ?
P8 F8A . 1.37(4) ?
P8 F8A 3_665 1.37(4) ?
P8 F8A 2_655 1.37(4) ?
P8 F8B 2_655 1.49(4) ?
P8 F8B 3_665 1.49(4) ?
P8 F8B . 1.49(4) ?
P8 F7A . 1.49(3) ?
P8 F7A 2_655 1.49(3) ?
P8 F7A 3_665 1.49(3) ?
P8 F7B 2_655 1.51(4) ?
P8 F7B 3_665 1.51(4) ?
P8 F7B . 1.51(4) ?
F7A F8A 2_655 1.78(5) ?
Br4 C131 . 1.9188 ?
Br5 C131 . 1.9189 ?
C131 H13A . 0.99 ?
C131 H13B . 0.99 ?
Br6 C132 . 1.9178 ?
Br7 C132 . 1.9193(14) ?
C132 H13C . 0.99 ?
C132 H13D . 0.99 ?
C133 Br9 . 1.73(4) ?
C133 Br8 . 1.75(4) ?
C133 H13E . 0.99 ?
C133 H13F . 0.99 ?
Br10 C134 . 1.918 ?
Br11 C134 . 1.9183 ?
C134 H13G . 0.99 ?
C134 H13H . 0.99 ?
Br12 C135 . 1.9178 ?
Br13 C135 . 1.9191 ?
C135 H13I . 0.99 ?
C135 H13J . 0.99 ?
Br14 C136 . 1.9179 ?
Br15 C136 . 1.9185 ?
C136 H13K . 0.99 ?
C136 H13L . 0.99 ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.510 134 18 ' '
2 0.667 0.333 0.844 138 19 ' '
3 0.333 0.667 0.177 128 19 ' '
