#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:37:37 +0300 (Wed, 05 May 2021) $
#$Revision: 264898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/69/7706959.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_7706959
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            'C378 H309 Ag26 B3 Cl7 Cu4 F12 P15'
_chemical_formula_weight         8883.14
_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                   26.339(4)
_cell_length_b                   26.339
_cell_length_c                   47.891(8)
_cell_measurement_reflns_used    1661
_cell_measurement_temperature    173.(2)
_cell_measurement_theta_max      22.2169
_cell_measurement_theta_min      2.0136
_cell_volume                     28773(6)
_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)'
_diffrn_ambient_temperature      173.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0334
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -61
_diffrn_reflns_number            52832
_diffrn_reflns_theta_full        27.30
_diffrn_reflns_theta_max         27.30
_diffrn_reflns_theta_min         1.83
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'Bruker Turbo X-ray Source'
_exptl_absorpt_coefficient_mu    1.674
_exptl_absorpt_correction_T_max  0.82
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            'clear light purple'
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             13146
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.977
_refine_diff_density_min         -1.077
_refine_ls_abs_structure_details
;

Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.44(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1337
_refine_ls_number_reflns         27636
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0653P)²+231.9049P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1308
_refine_ls_wR_factor_ref         0.1459
_reflns_d_resolution_high        0.7709
_reflns_number_gt                20630
_reflns_number_total             27636
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00294e2.cif
_cod_data_source_block           20190309_mikami364_3
_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        28773.(11)
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               7706959
_platon_squeeze_void_probe_radius 1.20
_shelx_title
' 20190309_mikami364_rho_a.res in R3                 '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            2088.48
_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 0.333333 0.666667 0.50405(3) 0.0277(3) Uani d T P S 1.0 . .
Ag Ag2 0.40380(4) 0.71245(4) 0.55678(2) 0.0369(2) Uani d . . . 1.0 . .
Ag Ag3 0.42637(4) 0.63226(4) 0.50952(2) 0.0368(2) Uani d . . . 1.0 . .
Ag Ag4 0.45454(4) 0.76635(4) 0.49355(2) 0.0366(2) Uani d . . . 1.0 . .
Ag Ag5 0.36483(4) 0.74935(4) 0.45544(2) 0.0364(2) Uani d . . . 1.0 . .
Ag Ag6 0.51319(5) 0.65263(5) 0.56881(2) 0.0410(2) Uani d . . . 1.0 . .
Ag Ag7 0.54283(4) 0.83761(4) 0.56268(2) 0.0404(2) Uani d . . . 1.0 . .
Ag Ag8 0.58644(4) 0.75955(5) 0.49038(2) 0.0421(2) Uani d . . . 1.0 . .
Ag Ag9 0.44995(4) 0.72163(4) 0.39673(2) 0.0375(2) Uani d . . . 1.0 . .
Ag Ag10 1.0 1.0 0.34892(4) 0.0407(4) Uani d T P S 1.0 . .
Cu Cu1 0.51392(6) 0.73663(6) 0.53480(3) 0.0299(3) Uani d . . . 1.0 . .
Cu Cu2 0.333333 0.666667 0.41044(5) 0.0293(5) Uani d T P S 1.0 . .
Cl Cl1 0.49818(10) 0.73139(11) 0.44887(5) 0.0219(5) Uani d . . . 1.0 . .
Cl Cl2 0.39772(10) 0.56719(11) 0.55935(6) 0.0222(5) Uani d . . . 1.0 . .
Cl Cl3 1.0 1.0 0.29458(17) 0.077(2) Uani d T P S 1.0 . .
P P1 0.57437(15) 0.62170(15) 0.59190(8) 0.0383(8) Uani d . . . 1.0 . .
P P2 0.60844(15) 0.90761(14) 0.59589(8) 0.0354(7) Uani d . . . 1.0 . .
P P3 0.68619(14) 0.81236(16) 0.47484(8) 0.0387(8) Uani d . . . 1.0 . .
P P4 0.51521(14) 0.73675(15) 0.35837(7) 0.0337(7) Uani d . . . 1.0 . .
P P5 0.90269(14) 0.98688(15) 0.36407(9) 0.0390(8) Uani d . . . 1.0 . .
C C1 0.4961(5) 0.7337(5) 0.5756(3) 0.034(3) Uani d . . . 1.0 . .
C C2 0.4804(5) 0.7230(5) 0.5999(3) 0.037(3) Uani d . . . 1.0 . .
C C3 0.4641(6) 0.7120(6) 0.6294(3) 0.038(3) Uani d . . . 1.0 . .
C C4 0.4181(7) 0.6586(8) 0.6375(3) 0.059(4) Uani d . . . 1.0 . .
H H4 0.39626 0.629684 0.623815 0.071 Uiso calc U . R 1.0 . .
C C5 0.4033(7) 0.6465(8) 0.6654(4) 0.063(5) Uani d . . . 1.0 . .
H H5 0.368967 0.611084 0.670499 0.076 Uiso calc U . R 1.0 . .
C C6 0.4374(8) 0.6849(9) 0.6858(4) 0.063(4) Uani d . . . 1.0 . .
C C7 0.4830(7) 0.7402(9) 0.6776(3) 0.058(4) Uani d . . . 1.0 . .
H H7 0.505288 0.769001 0.691217 0.069 Uiso calc U . R 1.0 . .
C C8 0.4954(7) 0.7527(6) 0.6488(3) 0.047(3) Uani d . . . 1.0 . .
H H8 0.526209 0.790108 0.643118 0.056 Uiso calc U . R 1.0 . .
C C9 0.4253(11) 0.6703(12) 0.7169(4) 0.096(7) Uani d . . . 1.0 . .
H H9A 0.393808 0.677248 0.723044 0.144 Uiso calc U . R 1.0 . .
H H9B 0.460938 0.695273 0.727656 0.144 Uiso calc U . R 1.0 . .
H H9C 0.413491 0.629044 0.719945 0.144 Uiso calc U . R 1.0 . .
C C11 0.5486(5) 0.8145(5) 0.5153(3) 0.031(3) Uani d . . . 1.0 . .
C C12 0.5625(6) 0.8627(6) 0.5068(3) 0.035(3) Uani d . . . 1.0 . .
C C13 0.5817(7) 0.9231(6) 0.4963(3) 0.047(4) Uani d . . . 1.0 . .
C C14 0.5446(8) 0.9461(7) 0.5009(4) 0.063(5) Uani d . . . 1.0 . .
H H14 0.507002 0.922462 0.508994 0.075 Uiso calc U . R 1.0 . .
C C15 0.5630(9) 1.0036(8) 0.4934(4) 0.069(5) Uani d . . . 1.0 . .
H H15 0.537076 1.01872 0.495222 0.083 Uiso calc U . R 1.0 . .
C C16 0.6197(10) 1.0393(7) 0.4832(4) 0.075(6) Uani d . . . 1.0 . .
C C17 0.6536(9) 1.0149(8) 0.4784(4) 0.073(5) Uani d . . . 1.0 . .
H H17 0.691301 1.038241 0.470279 0.087 Uiso calc U . R 1.0 . .
C C18 0.6349(7) 0.9561(6) 0.4850(3) 0.048(3) Uani d . . . 1.0 . .
H H18 0.65949 0.940007 0.481463 0.057 Uiso calc U . R 1.0 . .
C C19 0.6397(13) 1.1025(8) 0.4768(5) 0.109(9) Uani d . . . 1.0 . .
H H19A 0.663434 1.127129 0.492395 0.164 Uiso calc U . R 1.0 . .
H H19B 0.605411 1.10737 0.474312 0.164 Uiso calc U . R 1.0 . .
H H19C 0.663199 1.114281 0.459721 0.164 Uiso calc U . R 1.0 . .
C C21 0.5281(6) 0.6753(5) 0.5188(3) 0.036(3) Uani d . . . 1.0 . .
C C22 0.5391(6) 0.6423(6) 0.5051(3) 0.039(3) Uani d . . . 1.0 . .
C C23 0.5544(8) 0.6052(7) 0.4904(4) 0.054(4) Uani d . . . 1.0 . .
C C24 0.5418(7) 0.5939(8) 0.4620(4) 0.065(5) Uani d . . . 1.0 . .
H H24 0.51996 0.608962 0.452958 0.078 Uiso calc U . R 1.0 . .
C C25 0.5599(9) 0.5619(9) 0.4467(4) 0.077(6) Uani d . . . 1.0 . .
H H25 0.550026 0.554164 0.427531 0.092 Uiso calc U . R 1.0 . .
C C26 0.5944(10) 0.5398(9) 0.4604(6) 0.088(7) Uani d . . . 1.0 . .
C C27 0.6053(8) 0.5495(8) 0.4883(5) 0.070(5) Uani d . . . 1.0 . .
H H27 0.627135 0.534587 0.497469 0.084 Uiso calc U . R 1.0 . .
C C28 0.5854(7) 0.5807(7) 0.5035(4) 0.056(4) Uani d . . . 1.0 . .
H H28 0.592657 0.585722 0.522998 0.067 Uiso calc U . R 1.0 . .
C C29 0.6203(12) 0.5089(13) 0.4438(7) 0.135(12) Uani d . . . 1.0 . .
H H29A 0.6111 0.472237 0.453169 0.202 Uiso calc U . R 1.0 . .
H H29B 0.662895 0.534341 0.442608 0.202 Uiso calc U . R 1.0 . .
H H29C 0.603514 0.500369 0.424969 0.202 Uiso calc U . R 1.0 . .
C C31 0.3810(5) 0.7529(5) 0.4058(2) 0.027(2) Uani d . . . 1.0 . .
C C32 0.4174(6) 0.8057(6) 0.4050(3) 0.042(3) Uani d . . . 1.0 . .
C C33 0.4571(6) 0.8673(6) 0.4032(4) 0.050(4) Uani d . . . 1.0 . .
C C34 0.5040(8) 0.8940(7) 0.4219(4) 0.065(5) Uani d . . . 1.0 . .
H H34 0.508331 0.871318 0.436165 0.078 Uiso calc U . R 1.0 . .
C C35 0.5433(10) 0.9522(9) 0.4200(5) 0.086(6) Uani d . . . 1.0 . .
H H35 0.576135 0.969536 0.432171 0.103 Uiso calc U . R 1.0 . .
C C36 0.5359(10) 0.9873(7) 0.3998(6) 0.090(8) Uani d . . . 1.0 . .
C C37 0.4895(10) 0.9620(8) 0.3811(5) 0.082(6) Uani d . . . 1.0 . .
H H37 0.48451 0.98455 0.367042 0.098 Uiso calc U . R 1.0 . .
C C38 0.4499(7) 0.9010(7) 0.3838(4) 0.061(5) Uani d . . . 1.0 . .
H H38 0.41704 0.883029 0.3717 0.074 Uiso calc U . R 1.0 . .
C C39 0.5787(14) 1.0535(10) 0.3992(8) 0.154(15) Uani d . . . 1.0 . .
H H39A 0.615642 1.061179 0.390621 0.23 Uiso calc U . R 1.0 . .
H H39B 0.5862 1.068826 0.418345 0.23 Uiso calc U . R 1.0 . .
H H39C 0.561708 1.072847 0.388337 0.23 Uiso calc U . R 1.0 . .
C C41 0.5638(6) 0.5518(6) 0.5800(3) 0.044(3) Uani d . . . 1.0 . .
C C42 0.5055(7) 0.5095(6) 0.5729(3) 0.045(3) Uani d . . . 1.0 . .
H H42 0.474828 0.518257 0.575093 0.054 Uiso calc U . R 1.0 . .
C C43 0.4931(8) 0.4553(8) 0.5627(4) 0.065(5) Uani d . . . 1.0 . .
H H43 0.453719 0.426555 0.558565 0.078 Uiso calc U . R 1.0 . .
C C44 0.5373(9) 0.4425(8) 0.5584(4) 0.072(5) Uani d . . . 1.0 . .
H H44 0.528593 0.405008 0.55176 0.087 Uiso calc U . R 1.0 . .
C C45 0.5954(10) 0.4859(9) 0.5640(5) 0.086(6) Uani d . . . 1.0 . .
H H45 0.626517 0.478647 0.560055 0.103 Uiso calc U . R 1.0 . .
C C46 0.6076(7) 0.5393(7) 0.5752(4) 0.053(4) Uani d . . . 1.0 . .
H H46 0.646881 0.567675 0.57966 0.064 Uiso calc U . R 1.0 . .
C C47 0.5662(5) 0.6140(6) 0.6300(3) 0.039(3) Uani d . . . 1.0 . .
C C48 0.5652(6) 0.5671(6) 0.6444(3) 0.044(3) Uani d . . . 1.0 . .
H H48 0.570173 0.5384 0.634728 0.053 Uiso calc U . R 1.0 . .
C C49 0.5566(7) 0.5638(8) 0.6730(3) 0.058(4) Uani d . . . 1.0 . .
H H49 0.556608 0.532607 0.682998 0.07 Uiso calc U . R 1.0 . .
C C50 0.5482(6) 0.6038(7) 0.6875(4) 0.053(4) Uani d . . . 1.0 . .
H H50 0.541266 0.600098 0.707016 0.063 Uiso calc U . R 1.0 . .
C C51 0.5502(6) 0.6494(7) 0.6728(3) 0.051(4) Uani d . . . 1.0 . .
H H51 0.544867 0.67785 0.682562 0.061 Uiso calc U . R 1.0 . .
C C52 0.5597(7) 0.6552(6) 0.6445(3) 0.047(3) Uani d . . . 1.0 . .
H H52 0.561658 0.687776 0.634941 0.057 Uiso calc U . R 1.0 . .
C C53 0.6520(6) 0.6720(5) 0.5870(3) 0.037(3) Uani d . . . 1.0 . .
C C54 0.6952(6) 0.6762(7) 0.6057(4) 0.055(4) Uani d . . . 1.0 . .
H H54 0.68443 0.65301 0.62219 0.066 Uiso calc U . R 1.0 . .
C C55 0.7537(8) 0.7147(8) 0.5997(4) 0.066(5) Uani d . . . 1.0 . .
H H55 0.782865 0.717826 0.612395 0.079 Uiso calc U . R 1.0 . .
C C56 0.7704(8) 0.7483(9) 0.5763(4) 0.074(6) Uani d . . . 1.0 . .
H H56 0.81063 0.774579 0.572536 0.089 Uiso calc U . R 1.0 . .
C C57 0.7285(8) 0.7434(9) 0.5584(4) 0.071(5) Uani d . . . 1.0 . .
H H57 0.740246 0.766483 0.541857 0.086 Uiso calc U . R 1.0 . .
C C58 0.6713(6) 0.7074(7) 0.5629(4) 0.053(4) Uani d . . . 1.0 . .
H H58 0.643501 0.705594 0.549745 0.064 Uiso calc U . R 1.0 . .
C C59 0.6663(5) 0.8931(6) 0.6076(3) 0.035(3) Uani d . . . 1.0 . .
C C60 0.6552(7) 0.8356(7) 0.6086(4) 0.055(4) Uani d . . . 1.0 . .
H H60 0.617523 0.804611 0.603493 0.066 Uiso calc U . R 1.0 . .
C C61 0.6960(8) 0.8229(8) 0.6167(4) 0.062(5) Uani d . . . 1.0 . .
H H61 0.687336 0.783325 0.61668 0.075 Uiso calc U . R 1.0 . .
C C62 0.7511(7) 0.8669(8) 0.6251(4) 0.061(4) Uani d . . . 1.0 . .
H H62 0.780071 0.857785 0.630979 0.073 Uiso calc U . R 1.0 . .
C C63 0.7628(7) 0.9242(7) 0.6245(4) 0.052(4) Uani d . . . 1.0 . .
H H63 0.800194 0.95493 0.630291 0.063 Uiso calc U . R 1.0 . .
C C64 0.7210(6) 0.9374(7) 0.6158(3) 0.050(4) Uani d . . . 1.0 . .
H H64 0.729676 0.976981 0.615486 0.06 Uiso calc U . R 1.0 . .
C C65 0.5723(6) 0.9083(6) 0.6280(3) 0.039(3) Uani d . . . 1.0 . .
C C66 0.5980(7) 0.9191(6) 0.6537(3) 0.044(3) Uani d . . . 1.0 . .
H H66 0.636873 0.925976 0.655178 0.053 Uiso calc U . R 1.0 . .
C C67 0.5699(9) 0.9202(7) 0.6771(5) 0.071(5) Uani d . . . 1.0 . .
H H67 0.589584 0.930158 0.694537 0.085 Uiso calc U . R 1.0 . .
C C68 0.5108(9) 0.9064(7) 0.6752(4) 0.063(5) Uani d . . . 1.0 . .
H H68 0.490157 0.904828 0.691722 0.076 Uiso calc U . R 1.0 . .
C C69 0.4833(7) 0.8954(7) 0.6503(4) 0.057(4) Uani d . . . 1.0 . .
H H69 0.443874 0.886983 0.648933 0.068 Uiso calc U . R 1.0 . .
C C70 0.5155(6) 0.8968(6) 0.6261(3) 0.041(3) Uani d . . . 1.0 . .
H H70 0.497287 0.889767 0.608247 0.05 Uiso calc U . R 1.0 . .
C C71 0.6481(6) 0.9841(6) 0.5850(3) 0.044(3) Uani d . . . 1.0 . .
C C72 0.6603(7) 1.0304(6) 0.6026(4) 0.053(4) Uani d . . . 1.0 . .
H H72 0.64862 1.022563 0.621636 0.064 Uiso calc U . R 1.0 . .
C C73 0.6894(7) 1.0885(7) 0.5932(5) 0.068(5) Uani d . . . 1.0 . .
H H73 0.695039 1.119635 0.605182 0.082 Uiso calc U . R 1.0 . .
C C74 0.7089(8) 1.0990(7) 0.5669(6) 0.084(7) Uani d . . . 1.0 . .
H H74 0.729748 1.138025 0.560029 0.101 Uiso calc U . R 1.0 . .
C C75 0.6981(9) 1.0514(8) 0.5495(5) 0.075(5) Uani d . . . 1.0 . .
H H75 0.713192 1.059767 0.531061 0.09 Uiso calc U . R 1.0 . .
C C76 0.6687(7) 0.9969(7) 0.5572(4) 0.053(4) Uani d . . . 1.0 . .
H H76 0.661314 0.966309 0.544429 0.064 Uiso calc U . R 1.0 . .
C C77 0.7146(6) 0.7706(6) 0.4577(3) 0.041(3) Uani d . . . 1.0 . .
C C78 0.7519(7) 0.7920(8) 0.4349(3) 0.057(4) Uani d . . . 1.0 . .
H H78 0.76417 0.830064 0.427795 0.068 Uiso calc U . R 1.0 . .
C C79 0.7714(8) 0.7555(11) 0.4225(5) 0.081(6) Uani d . . . 1.0 . .
H H79 0.79449 0.76805 0.405991 0.097 Uiso calc U . R 1.0 . .
C C80 0.7572(9) 0.7031(12) 0.4340(4) 0.080(6) Uani d . . . 1.0 . .
H H80 0.772717 0.680343 0.426463 0.096 Uiso calc U . R 1.0 . .
C C81 0.7208(8) 0.6831(9) 0.4563(5) 0.074(6) Uani d . . . 1.0 . .
H H81 0.709954 0.645651 0.46375 0.089 Uiso calc U . R 1.0 . .
C C82 0.6993(7) 0.7158(8) 0.4684(4) 0.059(4) Uani d . . . 1.0 . .
H H82 0.673923 0.700861 0.484028 0.071 Uiso calc U . R 1.0 . .
C C83 0.7390(6) 0.8494(6) 0.5028(3) 0.045(3) Uani d . . . 1.0 . .
C C84 0.7951(6) 0.8608(8) 0.5017(4) 0.059(4) Uani d . . . 1.0 . .
H H84 0.807955 0.847326 0.486359 0.071 Uiso calc U . R 1.0 . .
C C85 0.8335(8) 0.8921(8) 0.5229(4) 0.062(4) Uani d . . . 1.0 . .
H H85 0.872967 0.900319 0.52188 0.074 Uiso calc U . R 1.0 . .
C C86 0.8162(8) 0.9113(10) 0.5452(4) 0.082(6) Uani d . . . 1.0 . .
H H86 0.842348 0.930804 0.560219 0.099 Uiso calc U . R 1.0 . .
C C87 0.7597(8) 0.9020(10) 0.5456(5) 0.081(6) Uani d . . . 1.0 . .
H H87 0.747582 0.917851 0.560303 0.097 Uiso calc U . R 1.0 . .
C C88 0.7219(7) 0.8704(8) 0.5253(3) 0.058(4) Uani d . . . 1.0 . .
H H88 0.682488 0.862324 0.52638 0.07 Uiso calc U . R 1.0 . .
C C89 0.6971(6) 0.8701(7) 0.4506(3) 0.050(4) Uani d . . . 1.0 . .
C C90 0.6537(5) 0.8601(6) 0.4330(3) 0.040(3) Uani d . . . 1.0 . .
H H90 0.618947 0.82281 0.433173 0.048 Uiso calc U . R 1.0 . .
C C91 0.6576(7) 0.9021(8) 0.4145(4) 0.062(4) Uani d . . . 1.0 . .
H H91 0.626759 0.893354 0.401643 0.075 Uiso calc U . R 1.0 . .
C C92 0.7075(8) 0.9578(8) 0.4150(4) 0.061(4) Uani d . . . 1.0 . .
H H92 0.711031 0.987333 0.402422 0.073 Uiso calc U . R 1.0 . .
C C93 0.7510(7) 0.9692(7) 0.4335(4) 0.062(5) Uani d . . . 1.0 . .
H H93 0.783995 1.007622 0.434642 0.075 Uiso calc U . R 1.0 . .
C C94 0.7479(6) 0.9252(6) 0.4511(4) 0.051(4) Uani d . . . 1.0 . .
H H94 0.779647 0.932655 0.46307 0.061 Uiso calc U . R 1.0 . .
C C95 0.5596(5) 0.7018(6) 0.3638(3) 0.037(3) Uani d . . . 1.0 . .
C C96 0.5738(6) 0.6759(6) 0.3442(3) 0.042(3) Uani d . . . 1.0 . .
H H96 0.560653 0.675218 0.325663 0.051 Uiso calc U . R 1.0 . .
C C97 0.6068(7) 0.6502(7) 0.3495(4) 0.054(4) Uani d . . . 1.0 . .
H H97 0.615678 0.631196 0.334997 0.065 Uiso calc U . R 1.0 . .
C C98 0.6268(6) 0.6524(7) 0.3764(4) 0.053(4) Uani d . . . 1.0 . .
H H98 0.649294 0.634156 0.380356 0.064 Uiso calc U . R 1.0 . .
C C99 0.6151(7) 0.6807(7) 0.3979(3) 0.054(4) Uani d . . . 1.0 . .
H H99 0.630444 0.683574 0.416168 0.065 Uiso calc U . R 1.0 . .
C C100 0.5795(5) 0.7049(6) 0.3915(3) 0.039(3) Uani d . . . 1.0 . .
H H100 0.568881 0.72316 0.405607 0.046 Uiso calc U . R 1.0 . .
C C101 0.4758(5) 0.7048(6) 0.3259(3) 0.037(3) Uani d . . . 1.0 . .
C C102 0.4949(7) 0.7275(8) 0.3002(3) 0.054(4) Uani d . . . 1.0 . .
H H102 0.532437 0.761354 0.298108 0.065 Uiso calc U . R 1.0 . .
C C103 0.4603(7) 0.7020(7) 0.2769(3) 0.051(4) Uani d . . . 1.0 . .
H H103 0.474589 0.71889 0.259049 0.061 Uiso calc U . R 1.0 . .
C C104 0.4067(7) 0.6537(7) 0.2790(3) 0.053(4) Uani d . . . 1.0 . .
H H104 0.382914 0.636756 0.262955 0.064 Uiso calc U . R 1.0 . .
C C105 0.3881(7) 0.6303(7) 0.3044(4) 0.051(4) Uani d . . . 1.0 . .
H H105 0.351077 0.595545 0.306018 0.061 Uiso calc U . R 1.0 . .
C C106 0.4202(6) 0.6546(6) 0.3278(3) 0.042(3) Uani d . . . 1.0 . .
H H106 0.40489 0.637619 0.345479 0.05 Uiso calc U . R 1.0 . .
C C107 0.5684(6) 0.8131(6) 0.3502(3) 0.040(3) Uani d . . . 1.0 . .
C C108 0.6237(6) 0.8291(7) 0.3399(4) 0.051(4) Uani d . . . 1.0 . .
H H108 0.635108 0.800625 0.336545 0.062 Uiso calc U . R 1.0 . .
C C109 0.6630(7) 0.8902(7) 0.3344(4) 0.061(5) Uani d . . . 1.0 . .
H H109 0.701421 0.902295 0.327876 0.073 Uiso calc U . R 1.0 . .
C C110 0.6473(8) 0.9298(7) 0.3382(4) 0.062(4) Uani d . . . 1.0 . .
H H110 0.674318 0.969982 0.33455 0.075 Uiso calc U . R 1.0 . .
C C111 0.5896(7) 0.9125(7) 0.3479(3) 0.055(4) Uani d . . . 1.0 . .
H H111 0.577842 0.940876 0.350433 0.066 Uiso calc U . R 1.0 . .
C C112 0.5505(6) 0.8532(6) 0.3535(3) 0.047(4) Uani d . . . 1.0 . .
H H112 0.511714 0.841064 0.359623 0.056 Uiso calc U . R 1.0 . .
C C113 0.8434(5) 0.9111(6) 0.3607(3) 0.040(3) Uani d . . . 1.0 . .
C C114 0.8541(6) 0.8755(6) 0.3431(4) 0.055(4) Uani d . . . 1.0 . .
H H114 0.89112 0.890077 0.334189 0.065 Uiso calc U . R 1.0 . .
C C115 0.8096(9) 0.8181(8) 0.3387(5) 0.080(6) Uani d . . . 1.0 . .
H H115 0.816503 0.793405 0.326727 0.096 Uiso calc U . R 1.0 . .
C C116 0.7576(8) 0.7970(7) 0.3508(5) 0.071(5) Uani d . . . 1.0 . .
H H116 0.727919 0.757732 0.347257 0.085 Uiso calc U . R 1.0 . .
C C117 0.7459(7) 0.8314(8) 0.3685(4) 0.066(5) Uani d . . . 1.0 . .
H H117 0.708655 0.815647 0.377208 0.08 Uiso calc U . R 1.0 . .
C C118 0.7886(7) 0.8886(7) 0.3735(4) 0.053(4) Uani d . . . 1.0 . .
H H118 0.780934 0.912599 0.385593 0.063 Uiso calc U . R 1.0 . .
C C119 0.9018(6) 1.0036(6) 0.3997(4) 0.048(4) Uani d . . . 1.0 . .
C C120 0.9015(7) 0.9664(7) 0.4203(4) 0.057(4) Uani d . . . 1.0 . .
H H120 0.896871 0.929687 0.414652 0.068 Uiso calc U . R 1.0 . .
C C121 0.9076(7) 0.9796(9) 0.4490(4) 0.064(5) Uani d . . . 1.0 . .
H H121 0.90592 0.952265 0.462407 0.077 Uiso calc U . R 1.0 . .
C C122 0.9162(7) 1.0349(8) 0.4571(4) 0.060(4) Uani d . . . 1.0 . .
H H122 0.919526 1.044751 0.476369 0.072 Uiso calc U . R 1.0 . .
C C123 0.9196(8) 1.0731(7) 0.4381(4) 0.069(5) Uani d . . . 1.0 . .
H H123 0.927077 1.110732 0.443833 0.082 Uiso calc U . R 1.0 . .
C C124 0.9125(6) 1.0586(7) 0.4100(4) 0.050(4) Uani d . . . 1.0 . .
H H124 0.914847 1.08692 0.396958 0.06 Uiso calc U . R 1.0 . .
C C125 0.8710(7) 1.0253(7) 0.3455(4) 0.053(4) Uani d . . . 1.0 . .
C C126 0.8881(8) 1.0410(7) 0.3185(5) 0.073(6) Uani d . . . 1.0 . .
H H126 0.916303 1.033087 0.310261 0.088 Uiso calc U . R 1.0 . .
C C127 0.8636(10) 1.0692(7) 0.3027(5) 0.083(7) Uani d . . . 1.0 . .
H H127 0.875835 1.080092 0.283872 0.1 Uiso calc U . R 1.0 . .
C C128 0.8240(10) 1.0806(8) 0.3136(6) 0.092(8) Uani d . . . 1.0 . .
H H128 0.807706 1.099182 0.302787 0.11 Uiso calc U . R 1.0 . .
C C129 0.8072(9) 1.0648(9) 0.3408(6) 0.087(7) Uani d . . . 1.0 . .
H H129 0.77919 1.072963 0.348896 0.105 Uiso calc U . R 1.0 . .
C C130 0.8307(8) 1.0368(7) 0.3568(4) 0.061(4) Uani d . . . 1.0 . .
H H130 0.818244 1.025898 0.375523 0.073 Uiso calc U . R 1.0 . .
B B1 0 0 0.5370(7) 0.056(8) Uani d T P S 1.0 . .
F F1 0 0 0.5107(5) 0.139(10) Uani d T P S 1.0 . .
F F2 0.0556(5) 0.0342(5) 0.5482(3) 0.096(4) Uani d . . . 1.0 . .
F F3A 0.7818(14) 0.1404(17) 0.4473(5) 0.074(8) Uiso d . P G 0.301(18) A 1
F F4A 0.8012(19) 0.1990(11) 0.4092(9) 0.120(12) Uiso d . P G 0.301(18) A 1
F F5A 0.8121(17) 0.1193(19) 0.4067(8) 0.097(10) Uiso d . P G 0.301(18) A 1
F F6A 0.7213(12) 0.1080(17) 0.4099(7) 0.086(9) Uiso d . P G 0.301(18) A 1
B B2A 0.7797(10) 0.1419(10) 0.4185(5) 0.065(11) Uiso d . P G 0.301(18) A 1
F F3B 0.7944(19) 0.1227(19) 0.4418(7) 0.074(8) Uiso d . P G 0.238(19) B 2
F F4B 0.783(2) 0.1884(18) 0.4155(11) 0.120(12) Uiso d . P G 0.238(19) B 2
F F5B 0.8324(17) 0.146(2) 0.3978(9) 0.097(10) Uiso d . P G 0.238(19) B 2
F F6B 0.7343(16) 0.0920(18) 0.4042(9) 0.086(9) Uiso d . P G 0.238(19) B 2
B B2B 0.7866(13) 0.1375(12) 0.4151(6) 0.065(11) Uiso d . P G 0.238(19) B 2
F F3C 0.813(3) 0.195(3) 0.4000(14) 0.074(8) Uiso d . P G 0.129(12) C 3
F F4C 0.766(4) 0.103(2) 0.418(2) 0.120(12) Uiso d . P G 0.129(12) C 3
F F5C 0.794(3) 0.180(4) 0.4466(12) 0.097(10) Uiso d . P G 0.129(12) C 3
F F6C 0.720(2) 0.155(4) 0.4157(16) 0.086(9) Uiso d . P G 0.129(12) C 3
B B2C 0.774(2) 0.159(2) 0.4201(11) 0.065(11) Uiso d . P G 0.129(12) C 3
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Ag Ag -0.8971 1.1015 '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'
B B 0.0013 0.0007 '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
Ag4 Ag1 Ag4 2_665 3_565 117.24(2) ?
Ag4 Ag1 Ag4 2_665 . 117.24(2) ?
Ag4 Ag1 Ag4 3_565 . 117.24(2) ?
Ag4 Ag1 Ag2 2_665 . 119.29(5) ?
Ag4 Ag1 Ag2 3_565 . 108.58(4) ?
Ag4 Ag1 Ag2 . . 67.38(3) ?
Ag4 Ag1 Ag2 2_665 2_665 67.38(3) ?
Ag4 Ag1 Ag2 3_565 2_665 119.29(5) ?
Ag4 Ag1 Ag2 . 2_665 108.58(4) ?
Ag2 Ag1 Ag2 . 2_665 56.05(4) ?
Ag4 Ag1 Ag2 2_665 3_565 108.58(4) ?
Ag4 Ag1 Ag2 3_565 3_565 67.38(3) ?
Ag4 Ag1 Ag2 . 3_565 119.29(5) ?
Ag2 Ag1 Ag2 . 3_565 56.05(4) ?
Ag2 Ag1 Ag2 2_665 3_565 56.05(4) ?
Ag4 Ag1 Ag5 2_665 . 71.54(4) ?
Ag4 Ag1 Ag5 3_565 . 118.63(6) ?
Ag4 Ag1 Ag5 . . 56.47(3) ?
Ag2 Ag1 Ag5 . . 117.93(3) ?
Ag2 Ag1 Ag5 2_665 . 119.27(3) ?
Ag2 Ag1 Ag5 3_565 . 173.48(5) ?
Ag4 Ag1 Ag5 2_665 2_665 56.47(3) ?
Ag4 Ag1 Ag5 3_565 2_665 71.54(4) ?
Ag4 Ag1 Ag5 . 2_665 118.62(6) ?
Ag2 Ag1 Ag5 . 2_665 173.48(4) ?
Ag2 Ag1 Ag5 2_665 2_665 117.93(3) ?
Ag2 Ag1 Ag5 3_565 2_665 119.27(3) ?
Ag5 Ag1 Ag5 . 2_665 66.49(4) ?
Ag4 Ag1 Ag5 2_665 3_565 118.62(6) ?
Ag4 Ag1 Ag5 3_565 3_565 56.47(3) ?
Ag4 Ag1 Ag5 . 3_565 71.54(4) ?
Ag2 Ag1 Ag5 . 3_565 119.27(3) ?
Ag2 Ag1 Ag5 2_665 3_565 173.48(4) ?
Ag2 Ag1 Ag5 3_565 3_565 117.93(3) ?
Ag5 Ag1 Ag5 . 3_565 66.49(4) ?
Ag5 Ag1 Ag5 2_665 3_565 66.49(4) ?
Ag4 Ag1 Ag3 2_665 . 172.78(5) ?
Ag4 Ag1 Ag3 3_565 . 56.20(3) ?
Ag4 Ag1 Ag3 . . 66.93(3) ?
Ag2 Ag1 Ag3 . . 67.45(3) ?
Ag2 Ag1 Ag3 2_665 . 117.74(6) ?
Ag2 Ag1 Ag3 3_565 . 72.49(4) ?
Ag5 Ag1 Ag3 . . 108.25(4) ?
Ag5 Ag1 Ag3 2_665 . 116.56(4) ?
Ag5 Ag1 Ag3 3_565 . 56.04(3) ?
Ag4 Ag1 Ag3 2_665 2_665 66.92(3) ?
Ag4 Ag1 Ag3 3_565 2_665 172.77(5) ?
Ag4 Ag1 Ag3 . 2_665 56.19(3) ?
Ag2 Ag1 Ag3 . 2_665 72.50(4) ?
Ag2 Ag1 Ag3 2_665 2_665 67.45(3) ?
Ag2 Ag1 Ag3 3_565 2_665 117.74(6) ?
Ag5 Ag1 Ag3 . 2_665 56.03(3) ?
Ag5 Ag1 Ag3 2_665 2_665 108.25(4) ?
Ag5 Ag1 Ag3 3_565 2_665 116.56(4) ?
Ag3 Ag1 Ag3 . 2_665 119.255(12) ?
Ag4 Ag1 Ag3 2_665 3_565 56.19(3) ?
Ag4 Ag1 Ag3 3_565 3_565 66.92(3) ?
Ag4 Ag1 Ag3 . 3_565 172.77(5) ?
Ag2 Ag1 Ag3 . 3_565 117.74(6) ?
Ag2 Ag1 Ag3 2_665 3_565 72.49(4) ?
Ag2 Ag1 Ag3 3_565 3_565 67.45(3) ?
Ag5 Ag1 Ag3 . 3_565 116.56(4) ?
Ag5 Ag1 Ag3 2_665 3_565 56.03(3) ?
Ag5 Ag1 Ag3 3_565 3_565 108.25(4) ?
Ag3 Ag1 Ag3 . 3_565 119.253(15) ?
Ag3 Ag1 Ag3 2_665 3_565 119.255(12) ?
C1 Ag2 Cl2 . 2_665 92.4(3) ?
C1 Ag2 Ag2 . 3_565 120.2(3) ?
Cl2 Ag2 Ag2 2_665 3_565 143.37(7) ?
C1 Ag2 Ag2 . 2_665 157.6(3) ?
Cl2 Ag2 Ag2 2_665 2_665 83.45(7) ?
Ag2 Ag2 Ag2 3_565 2_665 60.001(6) ?
C1 Ag2 Cu1 . . 44.0(3) ?
Cl2 Ag2 Cu1 2_665 . 94.93(6) ?
Ag2 Ag2 Cu1 3_565 . 119.72(6) ?
Ag2 Ag2 Cu1 2_665 . 158.16(4) ?
C1 Ag2 Ag1 . . 139.9(3) ?
Cl2 Ag2 Ag1 2_665 . 104.62(6) ?
Ag2 Ag2 Ag1 3_565 . 61.97(2) ?
Ag2 Ag2 Ag1 2_665 . 61.97(2) ?
Cu1 Ag2 Ag1 . . 97.76(5) ?
C1 Ag2 Ag4 . . 95.7(3) ?
Cl2 Ag2 Ag4 2_665 . 74.85(6) ?
Ag2 Ag2 Ag4 3_565 . 114.32(2) ?
Ag2 Ag2 Ag4 2_665 . 104.38(3) ?
Cu1 Ag2 Ag4 . . 54.57(4) ?
Ag1 Ag2 Ag4 . . 56.11(3) ?
C1 Ag2 Ag3 . . 85.5(3) ?
Cl2 Ag2 Ag3 2_665 . 133.84(7) ?
Ag2 Ag2 Ag3 3_565 . 69.95(4) ?
Ag2 Ag2 Ag3 2_665 . 113.15(3) ?
Cu1 Ag2 Ag3 . . 53.66(4) ?
Ag1 Ag2 Ag3 . . 56.46(3) ?
Ag4 Ag2 Ag3 . . 59.58(3) ?
C21 Ag3 Cl2 . . 91.6(3) ?
C21 Ag3 Cu1 . . 43.8(3) ?
Cl2 Ag3 Cu1 . . 93.97(7) ?
C21 Ag3 Ag5 . 3_565 121.3(3) ?
Cl2 Ag3 Ag5 . 3_565 143.46(7) ?
Cu1 Ag3 Ag5 . 3_565 120.29(5) ?
C21 Ag3 Ag4 . 3_565 158.3(3) ?
Cl2 Ag3 Ag4 . 3_565 83.35(6) ?
Cu1 Ag3 Ag4 . 3_565 157.23(5) ?
Ag5 Ag3 Ag4 3_565 3_565 60.17(4) ?
C21 Ag3 Ag1 . . 140.0(3) ?
Cl2 Ag3 Ag1 . . 104.23(7) ?
Cu1 Ag3 Ag1 . . 97.76(4) ?
Ag5 Ag3 Ag1 3_565 . 61.76(4) ?
Ag4 Ag3 Ag1 3_565 . 61.42(3) ?
C21 Ag3 Ag4 . . 86.4(3) ?
Cl2 Ag3 Ag4 . . 133.95(7) ?
Cu1 Ag3 Ag4 . . 54.82(4) ?
Ag5 Ag3 Ag4 3_565 . 69.07(3) ?
Ag4 Ag3 Ag4 3_565 . 112.22(5) ?
Ag1 Ag3 Ag4 . . 56.15(2) ?
C21 Ag3 Ag2 . . 95.0(3) ?
Cl2 Ag3 Ag2 . . 74.48(6) ?
Cu1 Ag3 Ag2 . . 54.04(4) ?
Ag5 Ag3 Ag2 3_565 . 114.03(4) ?
Ag4 Ag3 Ag2 3_565 . 103.79(4) ?
Ag1 Ag3 Ag2 . . 56.09(4) ?
Ag4 Ag3 Ag2 . . 59.95(3) ?
C11 Ag4 Cl1 . . 91.1(3) ?
C11 Ag4 Ag3 . 2_665 120.2(3) ?
Cl1 Ag4 Ag3 . 2_665 144.13(7) ?
C11 Ag4 Ag5 . . 157.8(3) ?
Cl1 Ag4 Ag5 . . 84.42(6) ?
Ag3 Ag4 Ag5 2_665 . 59.91(4) ?
C11 Ag4 Cu1 . . 43.9(3) ?
Cl1 Ag4 Cu1 . . 93.85(7) ?
Ag3 Ag4 Cu1 2_665 . 120.43(5) ?
Ag5 Ag4 Cu1 . . 157.92(5) ?
C11 Ag4 Ag1 . . 139.6(3) ?
Cl1 Ag4 Ag1 . . 105.88(7) ?
Ag3 Ag4 Ag1 2_665 . 62.38(3) ?
Ag5 Ag4 Ag1 . . 62.03(4) ?
Cu1 Ag4 Ag1 . . 97.66(5) ?
C11 Ag4 Ag3 . . 94.9(3) ?
Cl1 Ag4 Ag3 . . 74.65(6) ?
Ag3 Ag4 Ag3 2_665 . 115.68(5) ?
Ag5 Ag4 Ag3 . . 104.78(4) ?
Cu1 Ag4 Ag3 . . 53.91(4) ?
Ag1 Ag4 Ag3 . . 56.92(3) ?
C11 Ag4 Ag2 . . 85.3(3) ?
Cl1 Ag4 Ag2 . . 134.41(7) ?
Ag3 Ag4 Ag2 2_665 . 70.16(4) ?
Ag5 Ag4 Ag2 . . 113.13(4) ?
Cu1 Ag4 Ag2 . . 54.04(4) ?
Ag1 Ag4 Ag2 . . 56.51(4) ?
Ag3 Ag4 Ag2 . . 60.48(3) ?
C31 Ag5 Cl1 . 2_665 92.3(3) ?
C31 Ag5 Ag3 . 2_665 156.8(3) ?
Cl1 Ag5 Ag3 2_665 2_665 82.71(6) ?
C31 Ag5 Ag4 . . 120.7(3) ?
Cl1 Ag5 Ag4 2_665 . 142.54(7) ?
Ag3 Ag5 Ag4 2_665 . 59.93(4) ?
C31 Ag5 Cu2 . . 42.9(3) ?
Cl1 Ag5 Cu2 2_665 . 95.61(6) ?
Ag3 Ag5 Cu2 2_665 . 159.82(6) ?
Ag4 Ag5 Cu2 . . 120.24(4) ?
C31 Ag5 Ag1 . . 140.5(3) ?
Cl1 Ag5 Ag1 2_665 . 105.09(6) ?
Ag3 Ag5 Ag1 2_665 . 62.20(4) ?
Ag4 Ag5 Ag1 . . 61.51(3) ?
Cu2 Ag5 Ag1 . . 99.27(5) ?
C31 Ag5 Ag5 . 2_665 95.2(3) ?
Cl1 Ag5 Ag5 2_665 2_665 76.11(7) ?
Ag3 Ag5 Ag5 2_665 2_665 105.41(3) ?
Ag4 Ag5 Ag5 . 2_665 114.26(3) ?
Cu2 Ag5 Ag5 . 2_665 55.01(3) ?
Ag1 Ag5 Ag5 . 2_665 56.75(2) ?
C31 Ag5 Ag5 . 3_565 86.0(3) ?
Cl1 Ag5 Ag5 2_665 3_565 135.65(7) ?
Ag3 Ag5 Ag5 2_665 3_565 113.33(3) ?
Ag4 Ag5 Ag5 . 3_565 69.25(4) ?
Cu2 Ag5 Ag5 . 3_565 55.01(3) ?
Ag1 Ag5 Ag5 . 3_565 56.75(2) ?
Ag5 Ag5 Ag5 2_665 3_565 60.001(9) ?
P1 Ag6 C1 . . 133.6(3) ?
P1 Ag6 C21 . . 118.5(3) ?
C1 Ag6 C21 . . 89.7(4) ?
P1 Ag6 Cu1 . . 144.16(10) ?
C1 Ag6 Cu1 . . 45.2(3) ?
C21 Ag6 Cu1 . . 44.6(3) ?
P1 Ag6 Cl2 . . 116.68(10) ?
C1 Ag6 Cl2 . . 97.3(3) ?
C21 Ag6 Cl2 . . 90.9(3) ?
Cu1 Ag6 Cl2 . . 96.91(7) ?
C11 Ag7 P2 . . 135.9(3) ?
C11 Ag7 C1 . . 90.9(4) ?
P2 Ag7 C1 . . 117.3(3) ?
C11 Ag7 Cu1 . . 45.8(3) ?
P2 Ag7 Cu1 . . 145.08(10) ?
C1 Ag7 Cu1 . . 45.1(3) ?
C11 Ag7 Cl2 . 2_665 97.1(3) ?
P2 Ag7 Cl2 . 2_665 114.32(10) ?
C1 Ag7 Cl2 . 2_665 90.9(3) ?
Cu1 Ag7 Cl2 . 2_665 97.57(7) ?
C21 Ag8 P3 . . 136.4(3) ?
C21 Ag8 C11 . . 90.5(4) ?
P3 Ag8 C11 . . 117.6(3) ?
C21 Ag8 Cu1 . . 45.2(3) ?
P3 Ag8 Cu1 . . 144.81(10) ?
C11 Ag8 Cu1 . . 45.5(3) ?
C21 Ag8 Cl1 . . 95.3(3) ?
P3 Ag8 Cl1 . . 116.61(11) ?
C11 Ag8 Cl1 . . 88.5(3) ?
Cu1 Ag8 Cl1 . . 95.55(7) ?
C31 Ag9 P4 . . 133.5(3) ?
C31 Ag9 C31 . 3_565 89.1(5) ?
P4 Ag9 C31 . 3_565 116.6(3) ?
C31 Ag9 Cu2 . . 44.9(3) ?
P4 Ag9 Cu2 . . 142.04(11) ?
C31 Ag9 Cu2 3_565 . 44.3(3) ?
C31 Ag9 Cl1 . . 101.4(3) ?
P4 Ag9 Cl1 . . 114.72(10) ?
C31 Ag9 Cl1 3_565 . 92.0(3) ?
Cu2 Ag9 Cl1 . . 100.07(8) ?
P5 Ag10 P5 3_675 2_765 112.04(9) ?
P5 Ag10 P5 3_675 . 112.04(9) ?
P5 Ag10 P5 2_765 . 112.04(9) ?
P5 Ag10 Cl3 3_675 . 106.76(10) ?
P5 Ag10 Cl3 2_765 . 106.76(10) ?
P5 Ag10 Cl3 . . 106.76(10) ?
C21 Cu1 C1 . . 118.8(5) ?
C21 Cu1 C11 . . 118.4(5) ?
C1 Cu1 C11 . . 118.1(5) ?
C21 Cu1 Ag8 . . 58.7(4) ?
C1 Cu1 Ag8 . . 153.9(4) ?
C11 Cu1 Ag8 . . 59.9(3) ?
C21 Cu1 Ag7 . . 155.5(4) ?
C1 Cu1 Ag7 . . 60.3(4) ?
C11 Cu1 Ag7 . . 57.9(4) ?
Ag8 Cu1 Ag7 . . 110.17(6) ?
C21 Cu1 Ag6 . . 60.1(4) ?
C1 Cu1 Ag6 . . 58.8(4) ?
C11 Cu1 Ag6 . . 156.4(3) ?
Ag8 Cu1 Ag6 . . 111.42(6) ?
Ag7 Cu1 Ag6 . . 112.52(6) ?
C21 Cu1 Ag3 . . 55.8(4) ?
C1 Cu1 Ag3 . . 108.6(4) ?
C11 Cu1 Ag3 . . 121.7(4) ?
Ag8 Cu1 Ag3 . . 91.25(5) ?
Ag7 Cu1 Ag3 . . 148.57(6) ?
Ag6 Cu1 Ag3 . . 78.25(5) ?
C21 Cu1 Ag2 . . 123.2(4) ?
C1 Cu1 Ag2 . . 55.7(4) ?
C11 Cu1 Ag2 . . 107.0(3) ?
Ag8 Cu1 Ag2 . . 149.85(7) ?
Ag7 Cu1 Ag2 . . 78.05(5) ?
Ag6 Cu1 Ag2 . . 90.26(5) ?
Ag3 Cu1 Ag2 . . 72.30(4) ?
C21 Cu1 Ag4 . . 107.9(4) ?
C1 Cu1 Ag4 . . 122.3(4) ?
C11 Cu1 Ag4 . . 55.3(3) ?
Ag8 Cu1 Ag4 . . 79.53(5) ?
Ag7 Cu1 Ag4 . . 89.74(5) ?
Ag6 Cu1 Ag4 . . 147.93(6) ?
Ag3 Cu1 Ag4 . . 71.27(4) ?
Ag2 Cu1 Ag4 . . 71.38(4) ?
C31 Cu2 C31 2_665 . 118.79(13) ?
C31 Cu2 C31 2_665 3_565 118.78(13) ?
C31 Cu2 C31 . 3_565 118.78(13) ?
C31 Cu2 Ag9 2_665 . 159.7(4) ?
C31 Cu2 Ag9 . . 57.9(3) ?
C31 Cu2 Ag9 3_565 . 60.9(3) ?
C31 Cu2 Ag9 2_665 2_665 57.9(3) ?
C31 Cu2 Ag9 . 2_665 60.9(3) ?
C31 Cu2 Ag9 3_565 2_665 159.7(4) ?
Ag9 Cu2 Ag9 . 2_665 114.45(5) ?
C31 Cu2 Ag9 2_665 3_565 60.9(3) ?
C31 Cu2 Ag9 . 3_565 159.7(4) ?
C31 Cu2 Ag9 3_565 3_565 57.9(3) ?
Ag9 Cu2 Ag9 . 3_565 114.45(4) ?
Ag9 Cu2 Ag9 2_665 3_565 114.45(5) ?
C31 Cu2 Ag5 2_665 2_665 55.8(3) ?
C31 Cu2 Ag5 . 2_665 121.2(3) ?
C31 Cu2 Ag5 3_565 2_665 107.1(3) ?
Ag9 Cu2 Ag5 . 2_665 144.40(9) ?
Ag9 Cu2 Ag5 2_665 2_665 87.52(4) ?
Ag9 Cu2 Ag5 3_565 2_665 76.62(4) ?
C31 Cu2 Ag5 2_665 3_565 121.2(3) ?
C31 Cu2 Ag5 . 3_565 107.1(3) ?
C31 Cu2 Ag5 3_565 3_565 55.8(3) ?
Ag9 Cu2 Ag5 . 3_565 76.63(4) ?
Ag9 Cu2 Ag5 2_665 3_565 144.40(9) ?
Ag9 Cu2 Ag5 3_565 3_565 87.52(4) ?
Ag5 Cu2 Ag5 2_665 3_565 69.97(6) ?
C31 Cu2 Ag5 2_665 . 107.1(3) ?
C31 Cu2 Ag5 . . 55.8(3) ?
C31 Cu2 Ag5 3_565 . 121.2(3) ?
Ag9 Cu2 Ag5 . . 87.53(4) ?
Ag9 Cu2 Ag5 2_665 . 76.63(4) ?
Ag9 Cu2 Ag5 3_565 . 144.40(9) ?
Ag5 Cu2 Ag5 2_665 . 69.97(6) ?
Ag5 Cu2 Ag5 3_565 . 69.97(6) ?
Ag9 Cl1 Ag4 . . 118.58(9) ?
Ag9 Cl1 Ag5 . 3_565 77.50(7) ?
Ag4 Cl1 Ag5 . 3_565 77.48(7) ?
Ag9 Cl1 Ag8 . . 158.63(10) ?
Ag4 Cl1 Ag8 . . 78.31(7) ?
Ag5 Cl1 Ag8 3_565 . 121.16(10) ?
Ag6 Cl2 Ag2 . 3_565 120.87(9) ?
Ag6 Cl2 Ag3 . . 78.03(7) ?
Ag2 Cl2 Ag3 3_565 . 78.66(7) ?
Ag6 Cl2 Ag7 . 3_565 158.19(10) ?
Ag2 Cl2 Ag7 3_565 3_565 77.11(7) ?
Ag3 Cl2 Ag7 . 3_565 120.18(10) ?
C53 P1 C41 . . 104.3(6) ?
C53 P1 C47 . . 103.7(6) ?
C41 P1 C47 . . 104.5(7) ?
C53 P1 Ag6 . . 113.3(4) ?
C41 P1 Ag6 . . 114.2(5) ?
C47 P1 Ag6 . . 115.6(4) ?
C65 P2 C71 . . 104.2(7) ?
C65 P2 C59 . . 103.7(6) ?
C71 P2 C59 . . 103.9(6) ?
C65 P2 Ag7 . . 113.0(5) ?
C71 P2 Ag7 . . 117.1(5) ?
C59 P2 Ag7 . . 113.5(4) ?
C77 P3 C89 . . 106.1(7) ?
C77 P3 C83 . . 102.9(7) ?
C89 P3 C83 . . 105.2(7) ?
C77 P3 Ag8 . . 117.1(5) ?
C89 P3 Ag8 . . 110.7(5) ?
C83 P3 Ag8 . . 113.8(5) ?
C101 P4 C107 . . 105.7(6) ?
C101 P4 C95 . . 104.3(6) ?
C107 P4 C95 . . 104.6(6) ?
C101 P4 Ag9 . . 112.3(4) ?
C107 P4 Ag9 . . 115.9(5) ?
C95 P4 Ag9 . . 113.0(4) ?
C119 P5 C113 . . 104.3(7) ?
C119 P5 C125 . . 105.3(7) ?
C113 P5 C125 . . 100.7(6) ?
C119 P5 Ag10 . . 112.6(4) ?
C113 P5 Ag10 . . 112.3(4) ?
C125 P5 Ag10 . . 119.9(6) ?
C2 C1 Cu1 . . 170.3(11) ?
C2 C1 Ag2 . . 96.8(9) ?
Cu1 C1 Ag2 . . 80.3(5) ?
C2 C1 Ag6 . . 96.6(9) ?
Cu1 C1 Ag6 . . 76.1(4) ?
Ag2 C1 Ag6 . . 111.1(5) ?
C2 C1 Ag7 . . 115.0(10) ?
Cu1 C1 Ag7 . . 74.6(4) ?
Ag2 C1 Ag7 . . 92.9(4) ?
Ag6 C1 Ag7 . . 137.9(5) ?
C1 C2 C3 . . 177.5(15) ?
C8 C3 C4 . . 119.8(14) ?
C8 C3 C2 . . 120.4(13) ?
C4 C3 C2 . . 119.8(12) ?
C3 C4 C5 . . 120.7(16) ?
C3 C4 H4 . . 119.6 ?
C5 C4 H4 . . 119.6 ?
C6 C5 C4 . . 120.9(17) ?
C6 C5 H5 . . 119.6 ?
C4 C5 H5 . . 119.6 ?
C5 C6 C7 . . 118.2(15) ?
C5 C6 C9 . . 122.1(19) ?
C7 C6 C9 . . 119.7(18) ?
C6 C7 C8 . . 119.5(16) ?
C6 C7 H7 . . 120.2 ?
C8 C7 H7 . . 120.2 ?
C3 C8 C7 . . 120.5(15) ?
C3 C8 H8 . . 119.8 ?
C7 C8 H8 . . 119.8 ?
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 Cu1 . . 167.8(11) ?
C12 C11 Ag7 . . 94.4(9) ?
Cu1 C11 Ag7 . . 76.3(4) ?
C12 C11 Ag4 . . 95.8(9) ?
Cu1 C11 Ag4 . . 80.8(4) ?
Ag7 C11 Ag4 . . 111.8(5) ?
C12 C11 Ag8 . . 117.5(10) ?
Cu1 C11 Ag8 . . 74.6(4) ?
Ag7 C11 Ag8 . . 135.8(5) ?
Ag4 C11 Ag8 . . 95.5(5) ?
C11 C12 C13 . . 178.2(14) ?
C18 C13 C14 . . 120.8(14) ?
C18 C13 C12 . . 120.9(13) ?
C14 C13 C12 . . 118.0(13) ?
C15 C14 C13 . . 119.6(16) ?
C15 C14 H14 . . 120.2 ?
C13 C14 H14 . . 120.2 ?
C14 C15 C16 . . 119.8(18) ?
C14 C15 H15 . . 120.1 ?
C16 C15 H15 . . 120.1 ?
C17 C16 C15 . . 118.5(16) ?
C17 C16 C19 . . 123.(2) ?
C15 C16 C19 . . 119.(2) ?
C16 C17 C18 . . 122.1(17) ?
C16 C17 H17 . . 118.9 ?
C18 C17 H17 . . 118.9 ?
C13 C18 C17 . . 118.9(16) ?
C13 C18 H18 . . 120.6 ?
C17 C18 H18 . . 120.6 ?
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 Cu1 . . 170.1(12) ?
C22 C21 Ag3 . . 99.9(9) ?
Cu1 C21 Ag3 . . 80.4(5) ?
C22 C21 Ag8 . . 94.9(10) ?
Cu1 C21 Ag8 . . 76.1(4) ?
Ag3 C21 Ag8 . . 112.6(5) ?
C22 C21 Ag6 . . 114.4(10) ?
Cu1 C21 Ag6 . . 75.4(4) ?
Ag3 C21 Ag6 . . 93.5(5) ?
Ag8 C21 Ag6 . . 137.0(5) ?
C21 C22 C23 . . 176.9(16) ?
C24 C23 C28 . . 117.6(15) ?
C24 C23 C22 . . 120.8(14) ?
C28 C23 C22 . . 121.5(15) ?
C25 C24 C23 . . 122.2(18) ?
C25 C24 H24 . . 118.9 ?
C23 C24 H24 . . 118.9 ?
C24 C25 C26 . . 119.1(18) ?
C24 C25 H25 . . 120.4 ?
C26 C25 H25 . . 120.4 ?
C27 C26 C25 . . 118.7(17) ?
C27 C26 C29 . . 120.(2) ?
C25 C26 C29 . . 121.(2) ?
C26 C27 C28 . . 121.3(19) ?
C26 C27 H27 . . 119.3 ?
C28 C27 H27 . . 119.3 ?
C27 C28 C23 . . 121.1(17) ?
C27 C28 H28 . . 119.5 ?
C23 C28 H28 . . 119.5 ?
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 . . 170.1(11) ?
C32 C31 Ag9 . . 95.0(9) ?
Cu2 C31 Ag9 . . 77.3(4) ?
C32 C31 Ag5 . . 95.6(9) ?
Cu2 C31 Ag5 . . 81.2(4) ?
Ag9 C31 Ag5 . . 108.6(4) ?
C32 C31 Ag9 . 2_665 114.7(9) ?
Cu2 C31 Ag9 . 2_665 74.8(4) ?
Ag9 C31 Ag9 . 2_665 142.9(5) ?
Ag5 C31 Ag9 . 2_665 90.9(4) ?
C31 C32 C33 . . 176.8(15) ?
C38 C33 C34 . . 118.9(14) ?
C38 C33 C32 . . 121.5(15) ?
C34 C33 C32 . . 119.6(13) ?
C35 C34 C33 . . 120.4(19) ?
C35 C34 H34 . . 119.8 ?
C33 C34 H34 . . 119.8 ?
C34 C35 C36 . . 121.(2) ?
C34 C35 H35 . . 119.7 ?
C36 C35 H35 . . 119.7 ?
C37 C36 C35 . . 120.1(17) ?
C37 C36 C39 . . 120.(3) ?
C35 C36 C39 . . 119.(3) ?
C36 C37 C38 . . 117.(2) ?
C36 C37 H37 . . 121.4 ?
C38 C37 H37 . . 121.4 ?
C33 C38 C37 . . 122.6(19) ?
C33 C38 H38 . . 118.7 ?
C37 C38 H38 . . 118.7 ?
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 . . 119.0(14) ?
C46 C41 P1 . . 125.2(12) ?
C42 C41 P1 . . 115.5(11) ?
C43 C42 C41 . . 119.9(15) ?
C43 C42 H42 . . 120.0 ?
C41 C42 H42 . . 120.0 ?
C44 C43 C42 . . 120.8(17) ?
C44 C43 H43 . . 119.6 ?
C42 C43 H43 . . 119.6 ?
C43 C44 C45 . . 118.8(17) ?
C43 C44 H44 . . 120.6 ?
C45 C44 H44 . . 120.6 ?
C46 C45 C44 . . 120.4(18) ?
C46 C45 H45 . . 119.8 ?
C44 C45 H45 . . 119.8 ?
C41 C46 C45 . . 120.9(16) ?
C41 C46 H46 . . 119.6 ?
C45 C46 H46 . . 119.6 ?
C52 C47 C48 . . 119.6(14) ?
C52 C47 P1 . . 118.0(10) ?
C48 C47 P1 . . 122.3(11) ?
C49 C48 C47 . . 118.2(15) ?
C49 C48 H48 . . 120.9 ?
C47 C48 H48 . . 120.9 ?
C50 C49 C48 . . 122.3(15) ?
C50 C49 H49 . . 118.8 ?
C48 C49 H49 . . 118.8 ?
C51 C50 C49 . . 117.9(16) ?
C51 C50 H50 . . 121.0 ?
C49 C50 H50 . . 121.0 ?
C50 C51 C52 . . 121.8(16) ?
C50 C51 H51 . . 119.1 ?
C52 C51 H51 . . 119.1 ?
C47 C52 C51 . . 120.0(14) ?
C47 C52 H52 . . 120.0 ?
C51 C52 H52 . . 120.0 ?
C54 C53 C58 . . 117.3(13) ?
C54 C53 P1 . . 123.2(11) ?
C58 C53 P1 . . 119.5(10) ?
C55 C54 C53 . . 119.0(16) ?
C55 C54 H54 . . 120.5 ?
C53 C54 H54 . . 120.5 ?
C56 C55 C54 . . 121.8(17) ?
C56 C55 H55 . . 119.1 ?
C54 C55 H55 . . 119.1 ?
C57 C56 C55 . . 118.7(17) ?
C57 C56 H56 . . 120.7 ?
C55 C56 H56 . . 120.7 ?
C58 C57 C56 . . 122.7(18) ?
C58 C57 H57 . . 118.6 ?
C56 C57 H57 . . 118.6 ?
C57 C58 C53 . . 120.6(16) ?
C57 C58 H58 . . 119.7 ?
C53 C58 H58 . . 119.7 ?
C64 C59 C60 . . 118.0(13) ?
C64 C59 P2 . . 122.4(11) ?
C60 C59 P2 . . 119.5(10) ?
C61 C60 C59 . . 121.7(15) ?
C61 C60 H60 . . 119.1 ?
C59 C60 H60 . . 119.1 ?
C60 C61 C62 . . 120.8(16) ?
C60 C61 H61 . . 119.6 ?
C62 C61 H61 . . 119.6 ?
C63 C62 C61 . . 118.4(15) ?
C63 C62 H62 . . 120.8 ?
C61 C62 H62 . . 120.8 ?
C64 C63 C62 . . 120.8(15) ?
C64 C63 H63 . . 119.6 ?
C62 C63 H63 . . 119.6 ?
C63 C64 C59 . . 120.2(14) ?
C63 C64 H64 . . 119.9 ?
C59 C64 H64 . . 119.9 ?
C66 C65 C70 . . 118.7(14) ?
C66 C65 P2 . . 123.9(11) ?
C70 C65 P2 . . 117.3(11) ?
C67 C66 C65 . . 122.1(16) ?
C67 C66 H66 . . 118.9 ?
C65 C66 H66 . . 118.9 ?
C66 C67 C68 . . 119.1(19) ?
C66 C67 H67 . . 120.4 ?
C68 C67 H67 . . 120.4 ?
C69 C68 C67 . . 121.0(18) ?
C69 C68 H68 . . 119.5 ?
C67 C68 H68 . . 119.5 ?
C68 C69 C70 . . 117.7(16) ?
C68 C69 H69 . . 121.1 ?
C70 C69 H69 . . 121.1 ?
C65 C70 C69 . . 121.1(15) ?
C65 C70 H70 . . 119.4 ?
C69 C70 H70 . . 119.4 ?
C72 C71 C76 . . 118.2(14) ?
C72 C71 P2 . . 123.5(13) ?
C76 C71 P2 . . 118.2(11) ?
C71 C72 C73 . . 121.7(16) ?
C71 C72 H72 . . 119.1 ?
C73 C72 H72 . . 119.1 ?
C74 C73 C72 . . 118.3(17) ?
C74 C73 H73 . . 120.8 ?
C72 C73 H73 . . 120.8 ?
C73 C74 C75 . . 119.1(18) ?
C73 C74 H74 . . 120.5 ?
C75 C74 H74 . . 120.5 ?
C76 C75 C74 . . 124.(2) ?
C76 C75 H75 . . 117.9 ?
C74 C75 H75 . . 117.9 ?
C75 C76 C71 . . 118.3(16) ?
C75 C76 H76 . . 120.8 ?
C71 C76 H76 . . 120.8 ?
C78 C77 C82 . . 119.4(14) ?
C78 C77 P3 . . 122.4(12) ?
C82 C77 P3 . . 118.1(11) ?
C77 C78 C79 . . 118.4(18) ?
C77 C78 H78 . . 120.8 ?
C79 C78 H78 . . 120.8 ?
C80 C79 C78 . . 120.4(19) ?
C80 C79 H79 . . 119.8 ?
C78 C79 H79 . . 119.8 ?
C81 C80 C79 . . 119.9(19) ?
C81 C80 H80 . . 120.0 ?
C79 C80 H80 . . 120.0 ?
C80 C81 C82 . . 122.(2) ?
C80 C81 H81 . . 119.2 ?
C82 C81 H81 . . 119.2 ?
C81 C82 C77 . . 120.0(17) ?
C81 C82 H82 . . 120.0 ?
C77 C82 H82 . . 120.0 ?
C84 C83 C88 . . 118.6(15) ?
C84 C83 P3 . . 123.1(13) ?
C88 C83 P3 . . 118.2(11) ?
C83 C84 C85 . . 119.9(17) ?
C83 C84 H84 . . 120.1 ?
C85 C84 H84 . . 120.1 ?
C86 C85 C84 . . 121.3(17) ?
C86 C85 H85 . . 119.4 ?
C84 C85 H85 . . 119.4 ?
C85 C86 C87 . . 118.7(17) ?
C85 C86 H86 . . 120.6 ?
C87 C86 H86 . . 120.6 ?
C88 C87 C86 . . 120.(2) ?
C88 C87 H87 . . 120.1 ?
C86 C87 H87 . . 120.1 ?
C87 C88 C83 . . 121.5(17) ?
C87 C88 H88 . . 119.2 ?
C83 C88 H88 . . 119.2 ?
C90 C89 C94 . . 119.6(15) ?
C90 C89 P3 . . 118.5(11) ?
C94 C89 P3 . . 121.9(12) ?
C89 C90 C91 . . 122.3(14) ?
C89 C90 H90 . . 118.9 ?
C91 C90 H90 . . 118.9 ?
C90 C91 C92 . . 119.0(15) ?
C90 C91 H91 . . 120.5 ?
C92 C91 H91 . . 120.5 ?
C93 C92 C91 . . 119.3(16) ?
C93 C92 H92 . . 120.3 ?
C91 C92 H92 . . 120.3 ?
C92 C93 C94 . . 121.0(15) ?
C92 C93 H93 . . 119.5 ?
C94 C93 H93 . . 119.5 ?
C89 C94 C93 . . 118.7(15) ?
C89 C94 H94 . . 120.7 ?
C93 C94 H94 . . 120.7 ?
C96 C95 C100 . . 120.3(13) ?
C96 C95 P4 . . 125.2(11) ?
C100 C95 P4 . . 114.5(10) ?
C95 C96 C97 . . 122.8(15) ?
C95 C96 H96 . . 118.6 ?
C97 C96 H96 . . 118.6 ?
C96 C97 C98 . . 118.3(15) ?
C96 C97 H97 . . 120.8 ?
C98 C97 H97 . . 120.8 ?
C97 C98 C99 . . 122.0(15) ?
C97 C98 H98 . . 119.0 ?
C99 C98 H98 . . 119.0 ?
C98 C99 C100 . . 117.1(15) ?
C98 C99 H99 . . 121.4 ?
C100 C99 H99 . . 121.4 ?
C99 C100 C95 . . 119.5(13) ?
C99 C100 H100 . . 120.3 ?
C95 C100 H100 . . 120.3 ?
C102 C101 C106 . . 117.2(13) ?
C102 C101 P4 . . 125.0(12) ?
C106 C101 P4 . . 117.7(10) ?
C101 C102 C103 . . 120.8(16) ?
C101 C102 H102 . . 119.6 ?
C103 C102 H102 . . 119.6 ?
C104 C103 C102 . . 121.4(15) ?
C104 C103 H103 . . 119.3 ?
C102 C103 H103 . . 119.3 ?
C105 C104 C103 . . 118.1(15) ?
C105 C104 H104 . . 121.0 ?
C103 C104 H104 . . 121.0 ?
C104 C105 C106 . . 122.3(16) ?
C104 C105 H105 . . 118.9 ?
C106 C105 H105 . . 118.9 ?
C105 C106 C101 . . 120.2(15) ?
C105 C106 H106 . . 119.9 ?
C101 C106 H106 . . 119.9 ?
C112 C107 C108 . . 121.6(14) ?
C112 C107 P4 . . 117.0(10) ?
C108 C107 P4 . . 121.3(11) ?
C107 C108 C109 . . 117.5(15) ?
C107 C108 H108 . . 121.2 ?
C109 C108 H108 . . 121.2 ?
C110 C109 C108 . . 122.0(15) ?
C110 C109 H109 . . 119.0 ?
C108 C109 H109 . . 119.0 ?
C109 C110 C111 . . 119.8(15) ?
C109 C110 H110 . . 120.1 ?
C111 C110 H110 . . 120.1 ?
C112 C111 C110 . . 119.5(15) ?
C112 C111 H111 . . 120.3 ?
C110 C111 H111 . . 120.3 ?
C107 C112 C111 . . 119.5(13) ?
C107 C112 H112 . . 120.3 ?
C111 C112 H112 . . 120.3 ?
C114 C113 C118 . . 119.7(13) ?
C114 C113 P5 . . 116.1(10) ?
C118 C113 P5 . . 124.2(11) ?
C115 C114 C113 . . 118.6(15) ?
C115 C114 H114 . . 120.7 ?
C113 C114 H114 . . 120.7 ?
C116 C115 C114 . . 121.5(18) ?
C116 C115 H115 . . 119.2 ?
C114 C115 H115 . . 119.2 ?
C115 C116 C117 . . 121.0(16) ?
C115 C116 H116 . . 119.5 ?
C117 C116 H116 . . 119.5 ?
C118 C117 C116 . . 119.7(17) ?
C118 C117 H117 . . 120.1 ?
C116 C117 H117 . . 120.1 ?
C117 C118 C113 . . 119.5(16) ?
C117 C118 H118 . . 120.3 ?
C113 C118 H118 . . 120.3 ?
C120 C119 C124 . . 113.7(15) ?
C120 C119 P5 . . 120.5(12) ?
C124 C119 P5 . . 124.8(13) ?
C119 C120 C121 . . 124.0(16) ?
C119 C120 H120 . . 118.0 ?
C121 C120 H120 . . 118.0 ?
C120 C121 C122 . . 117.7(18) ?
C120 C121 H121 . . 121.1 ?
C122 C121 H121 . . 121.1 ?
C123 C122 C121 . . 120.5(17) ?
C123 C122 H122 . . 119.7 ?
C121 C122 H122 . . 119.7 ?
C122 C123 C124 . . 120.6(16) ?
C122 C123 H123 . . 119.7 ?
C124 C123 H123 . . 119.7 ?
C123 C124 C119 . . 123.3(16) ?
C123 C124 H124 . . 118.4 ?
C119 C124 H124 . . 118.4 ?
C130 C125 C126 . . 119.2(17) ?
C130 C125 P5 . . 123.8(14) ?
C126 C125 P5 . . 117.0(13) ?
C125 C126 C127 . . 120.(2) ?
C125 C126 H126 . . 120.2 ?
C127 C126 H126 . . 120.2 ?
C128 C127 C126 . . 121.(2) ?
C128 C127 H127 . . 119.3 ?
C126 C127 H127 . . 119.3 ?
C127 C128 C129 . . 118.4(17) ?
C127 C128 H128 . . 120.8 ?
C129 C128 H128 . . 120.8 ?
C128 C129 C130 . . 121.(2) ?
C128 C129 H129 . . 119.4 ?
C130 C129 H129 . . 119.4 ?
C125 C130 C129 . . 120.(2) ?
C125 C130 H130 . . 120.0 ?
C129 C130 H130 . . 120.0 ?
F1 B1 F2 . . 112.7(14) ?
F1 B1 F2 . 3 112.7(14) ?
F2 B1 F2 . 3 106.0(16) ?
F1 B1 F2 . 2 112.7(14) ?
F2 B1 F2 . 2 106.0(16) ?
F2 B1 F2 3 2 106.0(16) ?
F3A B2A F5A . . 110.8 ?
F3A B2A F4A . . 110.6 ?
F5A B2A F4A . . 109.2 ?
F3A B2A F6A . . 108.9 ?
F5A B2A F6A . . 108.7 ?
F4A B2A F6A . . 108.6 ?
F3B B2B F5B . . 110.8 ?
F3B B2B F4B . . 110.6 ?
F5B B2B F4B . . 109.2 ?
F3B B2B F6B . . 108.9 ?
F5B B2B F6B . . 108.7 ?
F4B B2B F6B . . 108.6 ?
F3C B2C F5C . . 110.82(5) ?
F3C B2C F4C . . 110.6 ?
F5C B2C F4C . . 109.2 ?
F3C B2C F6C . . 108.9 ?
F5C B2C F6C . . 108.8 ?
F4C B2C F6C . . 108.6 ?
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 Ag4 2_665 2.9926(11) ?
Ag1 Ag4 3_565 2.9926(10) ?
Ag1 Ag4 . 2.9926(11) ?
Ag1 Ag2 . 3.0064(18) ?
Ag1 Ag2 2_665 3.0064(17) ?
Ag1 Ag2 3_565 3.0064(17) ?
Ag1 Ag5 . 3.0072(16) ?
Ag1 Ag5 2_665 3.0073(16) ?
Ag1 Ag5 3_565 3.0073(16) ?
Ag1 Ag3 . 3.0194(10) ?
Ag1 Ag3 2_665 3.0195(10) ?
Ag1 Ag3 3_565 3.0195(11) ?
Ag2 C1 . 2.383(13) ?
Ag2 Cl2 2_665 2.810(3) ?
Ag2 Ag2 3_565 2.8253(16) ?
Ag2 Ag2 2_665 2.8254(17) ?
Ag2 Cu1 . 2.8423(17) ?
Ag2 Ag4 . 3.3277(15) ?
Ag2 Ag3 . 3.3454(15) ?
Ag3 C21 . 2.372(13) ?
Ag3 Cl2 . 2.812(3) ?
Ag3 Cu1 . 2.8286(17) ?
Ag3 Ag5 3_565 2.8312(14) ?
Ag3 Ag4 3_565 2.8316(13) ?
Ag3 Ag4 . 3.3152(14) ?
Ag4 C11 . 2.384(12) ?
Ag4 Cl1 . 2.794(3) ?
Ag4 Ag5 . 2.8384(14) ?
Ag4 Cu1 . 2.8613(18) ?
Ag5 C31 . 2.406(12) ?
Ag5 Cl1 2_665 2.810(3) ?
Ag5 Cu2 . 2.875(2) ?
Ag5 Ag5 2_665 3.2974(17) ?
Ag5 Ag5 3_565 3.2974(17) ?
Ag6 P1 . 2.407(3) ?
Ag6 C1 . 2.414(13) ?
Ag6 C21 . 2.454(13) ?
Ag6 Cu1 . 2.7397(18) ?
Ag6 Cl2 . 2.771(3) ?
Ag7 C11 . 2.375(13) ?
Ag7 P2 . 2.393(3) ?
Ag7 C1 . 2.453(13) ?
Ag7 Cu1 . 2.7225(17) ?
Ag7 Cl2 2_665 2.814(3) ?
Ag8 C21 . 2.393(13) ?
Ag8 P3 . 2.395(3) ?
Ag8 C11 . 2.439(12) ?
Ag8 Cu1 . 2.7176(18) ?
Ag8 Cl1 . 2.860(3) ?
Ag9 C31 . 2.379(11) ?
Ag9 P4 . 2.409(3) ?
Ag9 C31 3_565 2.483(11) ?
Ag9 Cu2 . 2.7413(12) ?
Ag9 Cl1 . 2.755(3) ?
Ag10 P5 3_675 2.516(4) ?
Ag10 P5 2_765 2.516(3) ?
Ag10 P5 . 2.516(3) ?
Ag10 Cl3 . 2.603(8) ?
Cu1 C21 . 1.987(13) ?
Cu1 C1 . 2.002(13) ?
Cu1 C11 . 2.010(12) ?
Cu2 C31 2_665 1.982(11) ?
Cu2 C31 . 1.982(11) ?
Cu2 C31 3_565 1.982(11) ?
P1 C53 . 1.812(13) ?
P1 C41 . 1.812(14) ?
P1 C47 . 1.837(15) ?
P2 C65 . 1.815(14) ?
P2 C71 . 1.821(14) ?
P2 C59 . 1.834(13) ?
P3 C77 . 1.808(14) ?
P3 C89 . 1.816(17) ?
P3 C83 . 1.824(14) ?
P4 C101 . 1.825(14) ?
P4 C107 . 1.829(15) ?
P4 C95 . 1.832(13) ?
P5 C119 . 1.763(17) ?
P5 C113 . 1.825(14) ?
P5 C125 . 1.832(17) ?
C1 C2 . 1.220(19) ?
C2 C3 . 1.46(2) ?
C3 C8 . 1.344(19) ?
C3 C4 . 1.38(2) ?
C4 C5 . 1.38(2) ?
C4 H4 . 0.95 ?
C5 C6 . 1.37(3) ?
C5 H5 . 0.95 ?
C6 C7 . 1.40(3) ?
C6 C9 . 1.53(2) ?
C7 C8 . 1.42(2) ?
C7 H7 . 0.95 ?
C8 H8 . 0.95 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C11 C12 . 1.203(17) ?
C12 C13 . 1.496(19) ?
C13 C18 . 1.34(2) ?
C13 C14 . 1.40(2) ?
C14 C15 . 1.39(2) ?
C14 H14 . 0.95 ?
C15 C16 . 1.40(3) ?
C15 H15 . 0.95 ?
C16 C17 . 1.36(3) ?
C16 C19 . 1.51(2) ?
C17 C18 . 1.41(2) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C21 C22 . 1.230(18) ?
C22 C23 . 1.42(2) ?
C23 C24 . 1.40(2) ?
C23 C28 . 1.42(2) ?
C24 C25 . 1.37(2) ?
C24 H24 . 0.95 ?
C25 C26 . 1.46(3) ?
C25 H25 . 0.95 ?
C26 C27 . 1.36(3) ?
C26 C29 . 1.52(3) ?
C27 C28 . 1.38(2) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C29 H29A . 0.98 ?
C29 H29B . 0.98 ?
C29 H29C . 0.98 ?
C31 C32 . 1.234(18) ?
C32 C33 . 1.43(2) ?
C33 C38 . 1.36(2) ?
C33 C34 . 1.40(2) ?
C34 C35 . 1.36(3) ?
C34 H34 . 0.95 ?
C35 C36 . 1.42(3) ?
C35 H35 . 0.95 ?
C36 C37 . 1.39(3) ?
C36 C39 . 1.53(3) ?
C37 C38 . 1.42(2) ?
C37 H37 . 0.95 ?
C38 H38 . 0.95 ?
C39 H39A . 0.98 ?
C39 H39B . 0.98 ?
C39 H39C . 0.98 ?
C41 C46 . 1.37(2) ?
C41 C42 . 1.42(2) ?
C42 C43 . 1.38(2) ?
C42 H42 . 0.95 ?
C43 C44 . 1.38(3) ?
C43 H43 . 0.95 ?
C44 C45 . 1.40(3) ?
C44 H44 . 0.95 ?
C45 C46 . 1.39(2) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
C47 C52 . 1.37(2) ?
C47 C48 . 1.401(18) ?
C48 C49 . 1.39(2) ?
C48 H48 . 0.95 ?
C49 C50 . 1.37(2) ?
C49 H49 . 0.95 ?
C50 C51 . 1.37(2) ?
C50 H50 . 0.95 ?
C51 C52 . 1.38(2) ?
C51 H51 . 0.95 ?
C52 H52 . 0.95 ?
C53 C54 . 1.408(19) ?
C53 C58 . 1.41(2) ?
C54 C55 . 1.39(2) ?
C54 H54 . 0.95 ?
C55 C56 . 1.36(3) ?
C55 H55 . 0.95 ?
C56 C57 . 1.35(3) ?
C56 H56 . 0.95 ?
C57 C58 . 1.34(2) ?
C57 H57 . 0.95 ?
C58 H58 . 0.95 ?
C59 C64 . 1.382(18) ?
C59 C60 . 1.39(2) ?
C60 C61 . 1.33(2) ?
C60 H60 . 0.95 ?
C61 C62 . 1.39(2) ?
C61 H61 . 0.95 ?
C62 C63 . 1.38(2) ?
C62 H62 . 0.95 ?
C63 C64 . 1.37(2) ?
C63 H63 . 0.95 ?
C64 H64 . 0.95 ?
C65 C66 . 1.362(19) ?
C65 C70 . 1.374(19) ?
C66 C67 . 1.35(2) ?
C66 H66 . 0.95 ?
C67 C68 . 1.41(3) ?
C67 H67 . 0.95 ?
C68 C69 . 1.35(2) ?
C68 H68 . 0.95 ?
C69 C70 . 1.42(2) ?
C69 H69 . 0.95 ?
C70 H70 . 0.95 ?
C71 C72 . 1.38(2) ?
C71 C76 . 1.41(2) ?
C72 C73 . 1.40(2) ?
C72 H72 . 0.95 ?
C73 C74 . 1.33(3) ?
C73 H73 . 0.95 ?
C74 C75 . 1.41(3) ?
C74 H74 . 0.95 ?
C75 C76 . 1.30(2) ?
C75 H75 . 0.95 ?
C76 H76 . 0.95 ?
C77 C78 . 1.38(2) ?
C77 C82 . 1.39(2) ?
C78 C79 . 1.43(2) ?
C78 H78 . 0.95 ?
C79 C80 . 1.35(3) ?
C79 H79 . 0.95 ?
C80 C81 . 1.35(3) ?
C80 H80 . 0.95 ?
C81 C82 . 1.37(2) ?
C81 H81 . 0.95 ?
C82 H82 . 0.95 ?
C83 C84 . 1.35(2) ?
C83 C88 . 1.39(2) ?
C84 C85 . 1.38(2) ?
C84 H84 . 0.95 ?
C85 C86 . 1.35(3) ?
C85 H85 . 0.95 ?
C86 C87 . 1.38(3) ?
C86 H86 . 0.95 ?
C87 C88 . 1.34(2) ?
C87 H87 . 0.95 ?
C88 H88 . 0.95 ?
C89 C90 . 1.339(19) ?
C89 C94 . 1.40(2) ?
C90 C91 . 1.38(2) ?
C90 H90 . 0.95 ?
C91 C92 . 1.40(2) ?
C91 H91 . 0.95 ?
C92 C93 . 1.36(2) ?
C92 H92 . 0.95 ?
C93 C94 . 1.40(2) ?
C93 H93 . 0.95 ?
C94 H94 . 0.95 ?
C95 C96 . 1.318(19) ?
C95 C100 . 1.413(19) ?
C96 C97 . 1.37(2) ?
C96 H96 . 0.95 ?
C97 C98 . 1.38(2) ?
C97 H97 . 0.95 ?
C98 C99 . 1.39(2) ?
C98 H98 . 0.95 ?
C99 C100 . 1.41(2) ?
C99 H99 . 0.95 ?
C100 H100 . 0.95 ?
C101 C102 . 1.35(2) ?
C101 C106 . 1.402(19) ?
C102 C103 . 1.38(2) ?
C102 H102 . 0.95 ?
C103 C104 . 1.35(2) ?
C103 H103 . 0.95 ?
C104 C105 . 1.34(2) ?
C104 H104 . 0.95 ?
C105 C106 . 1.36(2) ?
C105 H105 . 0.95 ?
C106 H106 . 0.95 ?
C107 C112 . 1.37(2) ?
C107 C108 . 1.388(19) ?
C108 C109 . 1.44(2) ?
C108 H108 . 0.95 ?
C109 C110 . 1.31(2) ?
C109 H109 . 0.95 ?
C110 C111 . 1.43(2) ?
C110 H110 . 0.95 ?
C111 C112 . 1.40(2) ?
C111 H111 . 0.95 ?
C112 H112 . 0.95 ?
C113 C114 . 1.39(2) ?
C113 C118 . 1.40(2) ?
C114 C115 . 1.39(2) ?
C114 H114 . 0.95 ?
C115 C116 . 1.33(3) ?
C115 H115 . 0.95 ?
C116 C117 . 1.38(3) ?
C116 H116 . 0.95 ?
C117 C118 . 1.38(2) ?
C117 H117 . 0.95 ?
C118 H118 . 0.95 ?
C119 C120 . 1.39(2) ?
C119 C124 . 1.42(2) ?
C120 C121 . 1.41(2) ?
C120 H120 . 0.95 ?
C121 C122 . 1.41(3) ?
C121 H121 . 0.95 ?
C122 C123 . 1.33(3) ?
C122 H122 . 0.95 ?
C123 C124 . 1.39(2) ?
C123 H123 . 0.95 ?
C124 H124 . 0.95 ?
C125 C130 . 1.35(2) ?
C125 C126 . 1.37(3) ?
C126 C127 . 1.42(3) ?
C126 H126 . 0.95 ?
C127 C128 . 1.33(3) ?
C127 H127 . 0.95 ?
C128 C129 . 1.37(4) ?
C128 H128 . 0.95 ?
C129 C130 . 1.40(2) ?
C129 H129 . 0.95 ?
C130 H130 . 0.95 ?
B1 F1 . 1.26(4) ?
B1 F2 . 1.386(17) ?
B1 F2 3 1.386(17) ?
B1 F2 2 1.386(17) ?
F3A B2A . 1.3815 ?
F4A B2A . 1.3893 ?
F5A B2A . 1.3842 ?
F6A B2A . 1.3987 ?
F3B B2B . 1.3816 ?
F4B B2B . 1.3893 ?
F5B B2B . 1.3842 ?
F6B B2B . 1.3986 ?
F3C B2C . 1.3816 ?
F4C B2C . 1.3893 ?
F5C B2C . 1.3842 ?
F6C B2C . 1.3986 ?
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 1.000 0.000 0.200 1502 490 ' '
2 0.667 0.333 0.533 1519 491 ' '
3 0.333 -0.333 0.867 1513 491 ' '
