#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:37:37 +0300 (Wed, 05 May 2021) $
#$Revision: 264898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/69/7706956.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_7706956
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            'C1098 H855 Ag78 Br21 Cu12 F18 P48'
_chemical_formula_weight         26731.78
_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            1
_cell_length_a                   26.418(3)
_cell_length_b                   26.418(3)
_cell_length_c                   47.872(5)
_cell_measurement_reflns_used    1795
_cell_measurement_temperature    173.(2)
_cell_measurement_theta_max      22.7257
_cell_measurement_theta_min      1.9906
_cell_volume                     28934(6)
_computing_cell_refinement       'APEX3 v2018.1-0 (Bruker AXS)'
_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 0.999
_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  0.0324
_diffrn_reflns_av_unetI/netI     0.0621
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            53004
_diffrn_reflns_theta_full        27.35
_diffrn_reflns_theta_max         27.35
_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    2.340
_exptl_absorpt_correction_T_max  0.58
_exptl_absorpt_correction_T_min  0.47
_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    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             13074
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.260
_refine_diff_density_max         3.956
_refine_diff_density_min         -1.790
_refine_ls_abs_structure_details
;

Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.456(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1277
_refine_ls_number_reflns         26983
_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0689
_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)+(0.1142P)²+205.1360P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1842
_refine_ls_wR_factor_ref         0.2069
_reflns_d_resolution_high        0.7709
_reflns_number_gt                19268
_reflns_number_total             26983
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00294e2.cif
_cod_data_source_block           20191012_mikami427
_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        28934.(7)
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               7706956
_platon_squeeze_void_probe_radius 1.20
_shelx_title
' 20191012_mikami427_a.res in R3                     '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            2526.27
_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 0.36278(6) 0.73761(5) 0.41045(3) 0.0435(3) Uani d . . . 1 . .
Ag Ag2 0.41605(6) 0.71310(6) 0.51256(2) 0.0397(3) Uani d . . . 1 . .
Ag Ag3 0.333333 0.666667 0.46341(4) 0.0312(4) Uani d T P S 1 . .
Ag Ag4 0.35570(6) 0.78870(5) 0.47230(3) 0.0403(3) Uani d . . . 1 . .
Ag Ag5 0.46040(6) 0.75942(5) 0.45900(3) 0.0403(3) Uani d . . . 1 . .
Ag Ag6 0.53071(6) 0.84837(6) 0.39926(3) 0.0443(3) Uani d . . . 1 . .
Ag Ag7 0.37677(6) 0.87709(6) 0.40351(3) 0.0435(3) Uani d . . . 1 . .
Ag Ag8 0.49573(6) 0.91842(5) 0.47758(3) 0.0424(3) Uani d . . . 1 . .
Ag Ag9 0.38308(6) 0.60098(5) 0.57240(3) 0.0382(3) Uani d . . . 1 . .
Ag Ag10 0.666667 0.333333 0.62364(5) 0.0405(5) Uani d T P S 1 . .
Cu Cu1 0.333333 0.666667 0.55725(7) 0.0330(7) Uani d T P S 1 . .
Cu Cu2 0.44722(8) 0.84841(9) 0.43239(4) 0.0353(4) Uani d . . . 1 . .
Br Br1 0.39541(7) 0.56449(7) 0.51924(3) 0.0346(3) Uani d . . . 1 . .
Br Br2 0.27122(7) 0.76854(7) 0.40789(3) 0.0365(4) Uani d . . . 1 . .
Br Br3 0.666667 0.333333 0.67961(8) 0.0698(10) Uani d T P S 1 . .
P P1 0.39454(19) 0.54794(18) 0.61036(9) 0.0342(9) Uani d . . . 1 . .
P P2 0.62314(19) 0.90609(19) 0.37670(10) 0.0401(10) Uani d . . . 1 . .
P P3 0.37395(19) 0.9437(2) 0.37090(10) 0.0403(10) Uani d . . . 1 . .
P P4 0.5449(2) 1.01713(19) 0.49415(9) 0.0383(9) Uani d . . . 1 . .
P P5 0.58365(18) 0.23608(18) 0.60778(10) 0.0370(9) Uani d . . . 1 . .
C C1 0.4209(6) 0.7026(7) 0.5624(3) 0.033(3) Uani d . . . 1 . .
C C2 0.4702(7) 0.7158(7) 0.5632(4) 0.036(4) Uani d . . . 1 . .
C C3 0.5335(7) 0.7355(7) 0.5683(4) 0.044(4) Uani d . . . 1 . .
C C4 0.5596(9) 0.7130(12) 0.5497(5) 0.069(7) Uani d . . . 1 . .
H H4 0.53801 0.687817 0.534705 0.083 Uiso calc U . R 1 . .
C C5 0.6148(12) 0.7284(14) 0.5540(5) 0.080(8) Uani d . . . 1 . .
H H5 0.632378 0.710894 0.543436 0.096 Uiso calc U . R 1 . .
C C6 0.6487(9) 0.7721(13) 0.5750(6) 0.084(9) Uani d U . . 1 . .
H H6 0.689524 0.786125 0.576262 0.101 Uiso calc U . R 1 . .
C C7 0.6236(10) 0.7941(12) 0.5933(6) 0.080(8) Uani d . . . 1 . .
H H7 0.644257 0.819171 0.608496 0.096 Uiso calc U . R 1 . .
C C8 0.5646(7) 0.7759(9) 0.5873(5) 0.056(5) Uani d . . . 1 . .
H H8 0.546276 0.793374 0.597315 0.067 Uiso calc U . R 1 . .
C C11 0.4049(6) 0.8829(6) 0.4514(3) 0.030(3) Uani d . . . 1 . .
C C12 0.3704(8) 0.8976(7) 0.4607(4) 0.040(4) Uani d . . . 1 . .
C C13 0.3343(9) 0.9188(10) 0.4715(4) 0.056(5) Uani d . . . 1 . .
C C14 0.3590(10) 0.9733(9) 0.4847(4) 0.052(5) Uani d . . . 1 . .
H H14 0.399946 0.994783 0.488006 0.062 Uiso calc U . R 1 . .
C C15 0.3249(13) 0.9959(13) 0.4929(6) 0.085(8) Uani d . . . 1 . .
H H15 0.34242 1.033722 0.501073 0.102 Uiso calc U . R 1 . .
C C16 0.2644(11) 0.9637(12) 0.4894(6) 0.073(7) Uani d . . . 1 . .
H H16 0.240057 0.978716 0.495226 0.087 Uiso calc U . R 1 . .
C C17 0.2415(10) 0.9096(10) 0.4773(5) 0.066(6) Uani d . . . 1 . .
H H17 0.20021 0.886387 0.475501 0.079 Uiso calc U . R 1 . .
C C18 0.2744(9) 0.8883(11) 0.4680(5) 0.063(6) Uani d . . . 1 . .
H H18 0.256508 0.851521 0.458723 0.076 Uiso calc U . R 1 . .
C C21 0.5220(6) 0.8604(6) 0.4490(4) 0.034(3) Uani d . . . 1 . .
C C22 0.5625(7) 0.8668(6) 0.4640(3) 0.033(3) Uani d . . . 1 . .
C C23 0.6135(8) 0.8786(9) 0.4792(5) 0.051(5) Uani d . . . 1 . .
C C24 0.6682(8) 0.9053(9) 0.4672(5) 0.052(5) Uani d . . . 1 . .
H H24 0.6723 0.914476 0.447862 0.063 Uiso calc U . R 1 . .
C C25 0.7176(10) 0.9191(10) 0.4830(6) 0.073(7) Uani d . . . 1 . .
H H25 0.755507 0.940015 0.475021 0.088 Uiso calc U . R 1 . .
C C26 0.7107(10) 0.9025(10) 0.5093(5) 0.065(6) Uani d . . . 1 . .
H H26 0.744164 0.910237 0.519904 0.078 Uiso calc U . R 1 . .
C C27 0.6556(10) 0.8738(10) 0.5222(5) 0.065(6) Uani d . . . 1 . .
H H27 0.65281 0.864396 0.541471 0.078 Uiso calc U . R 1 . .
C C28 0.6059(10) 0.8593(10) 0.5075(5) 0.065(6) Uani d . . . 1 . .
H H28 0.568277 0.837512 0.515637 0.078 Uiso calc U . R 1 . .
C C31 0.4343(7) 0.8311(6) 0.3912(3) 0.033(3) Uani d . . . 1 . .
C C32 0.4280(7) 0.8144(8) 0.3679(4) 0.042(4) Uani d . . . 1 . .
C C33 0.4222(10) 0.7974(9) 0.3389(4) 0.056(5) Uani d . . . 1 . .
C C34 0.4137(8) 0.8315(10) 0.3195(4) 0.052(5) Uani d . . . 1 . .
H H34 0.409224 0.863538 0.325072 0.063 Uiso calc U . R 1 . .
C C35 0.4121(10) 0.8163(12) 0.2906(4) 0.068(7) Uani d . . . 1 . .
H H35 0.407033 0.838787 0.276478 0.082 Uiso calc U . R 1 . .
C C36 0.4177(10) 0.7694(13) 0.2835(4) 0.069(7) Uani d . . . 1 . .
H H36 0.416862 0.76057 0.264196 0.083 Uiso calc U . R 1 . .
C C37 0.4246(11) 0.7342(11) 0.3021(4) 0.067(6) Uani d . . . 1 . .
H H37 0.426314 0.700717 0.296147 0.08 Uiso calc U . R 1 . .
C C38 0.4290(11) 0.7499(9) 0.3305(4) 0.064(6) Uani d . . . 1 . .
H H38 0.436574 0.728303 0.344062 0.076 Uiso calc U . R 1 . .
C C41 0.3599(7) 0.4695(7) 0.6045(3) 0.034(3) Uani d . . . 1 . .
C C42 0.3357(8) 0.4304(8) 0.6252(4) 0.049(4) Uani d . . . 1 . .
H H42 0.336943 0.443066 0.643908 0.059 Uiso calc U . R 1 . .
C C43 0.3085(11) 0.3707(9) 0.6190(4) 0.058(5) Uani d . . . 1 . .
H H43 0.288859 0.342571 0.633283 0.069 Uiso calc U . R 1 . .
C C44 0.3103(9) 0.3527(8) 0.5922(4) 0.054(5) Uani d . . . 1 . .
H H44 0.292538 0.31209 0.588215 0.065 Uiso calc U . R 1 . .
C C45 0.3370(10) 0.3920(11) 0.5713(4) 0.064(6) Uani d . . . 1 . .
H H45 0.339418 0.379595 0.552923 0.077 Uiso calc U . R 1 . .
C C46 0.3613(7) 0.4529(6) 0.5778(3) 0.032(3) Uani d . . . 1 . .
H H46 0.378425 0.481427 0.563459 0.038 Uiso calc U . R 1 . .
C C47 0.3623(7) 0.5561(6) 0.6421(3) 0.033(3) Uani d . . . 1 . .
C C48 0.3827(8) 0.5559(8) 0.6688(4) 0.046(4) Uani d . . . 1 . .
H H48 0.413312 0.547332 0.671419 0.055 Uiso calc U . R 1 . .
C C49 0.3585(8) 0.5681(7) 0.6914(4) 0.045(4) Uani d . . . 1 . .
H H49 0.374723 0.570856 0.709436 0.054 Uiso calc U . R 1 . .
C C50 0.3107(8) 0.5764(8) 0.6886(4) 0.046(4) Uani d . . . 1 . .
H H50 0.293154 0.582856 0.704423 0.055 Uiso calc U . R 1 . .
C C51 0.2902(9) 0.5749(9) 0.6627(4) 0.055(5) Uani d . . . 1 . .
H H51 0.257662 0.580721 0.660669 0.067 Uiso calc U . R 1 . .
C C52 0.3149(8) 0.5651(8) 0.6380(4) 0.048(4) Uani d . . . 1 . .
H H52 0.300027 0.56483 0.619909 0.058 Uiso calc U . R 1 . .
C C53 0.4685(7) 0.5678(8) 0.6197(3) 0.040(4) Uani d . . . 1 . .
C C54 0.5120(7) 0.6293(8) 0.6187(4) 0.045(4) Uani d . . . 1 . .
H H54 0.501064 0.657112 0.613349 0.054 Uiso calc U . R 1 . .
C C55 0.5662(9) 0.6465(10) 0.6253(4) 0.058(5) Uani d . . . 1 . .
H H55 0.594814 0.686834 0.624442 0.069 Uiso calc U . R 1 . .
C C56 0.5825(10) 0.6048(11) 0.6337(5) 0.063(6) Uani d . . . 1 . .
H H56 0.622158 0.618092 0.638219 0.076 Uiso calc U . R 1 . .
C C57 0.5454(11) 0.5503(12) 0.6353(5) 0.067(6) Uani d . . . 1 . .
H H57 0.557579 0.523638 0.641168 0.081 Uiso calc U . R 1 . .
C C58 0.4866(9) 0.5299(8) 0.6285(4) 0.049(4) Uani d . . . 1 . .
H H58 0.458954 0.489354 0.630005 0.058 Uiso calc U . R 1 . .
C C59 0.6786(8) 0.8914(8) 0.3893(4) 0.048(4) Uani d . . . 1 . .
C C60 0.7344(8) 0.9360(10) 0.3944(5) 0.068(6) Uani d . . . 1 . .
H H60 0.746476 0.975074 0.389033 0.081 Uiso calc U . R 1 . .
C C61 0.7746(10) 0.9214(10) 0.4084(5) 0.062(6) Uani d . . . 1 . .
H H61 0.811463 0.951091 0.415115 0.075 Uiso calc U . R 1 . .
C C62 0.7573(10) 0.8632(11) 0.4117(5) 0.064(6) Uani d . . . 1 . .
H H62 0.785069 0.852779 0.417889 0.077 Uiso calc U . R 1 . .
C C63 0.7024(11) 0.8206(11) 0.4063(5) 0.064(6) Uani d . . . 1 . .
H H63 0.691221 0.780933 0.409629 0.077 Uiso calc U . R 1 . .
C C64 0.6624(8) 0.8345(8) 0.3961(3) 0.042(4) Uani d . . . 1 . .
H H64 0.62293 0.804561 0.393708 0.051 Uiso calc U . R 1 . .
C C65 0.6217(8) 0.8946(7) 0.3395(4) 0.048(5) Uani d . . . 1 . .
C C66 0.5769(7) 0.8908(8) 0.3236(3) 0.041(4) Uani d . . . 1 . .
H H66 0.548039 0.896248 0.332807 0.049 Uiso calc U . R 1 . .
C C67 0.5705(9) 0.8801(10) 0.2962(4) 0.052(5) Uani d . . . 1 . .
H H67 0.536303 0.87408 0.2867 0.062 Uiso calc U . R 1 . .
C C68 0.6156(9) 0.8780(8) 0.2817(5) 0.053(5) Uani d . . . 1 . .
H H68 0.61299 0.87267 0.262011 0.063 Uiso calc U . R 1 . .
C C69 0.6644(11) 0.8837(10) 0.2961(5) 0.065(6) Uani d . . . 1 . .
H H69 0.694701 0.881466 0.286498 0.078 Uiso calc U . R 1 . .
C C70 0.6673(9) 0.8930(11) 0.3253(4) 0.058(5) Uani d . . . 1 . .
H H70 0.700549 0.898283 0.335455 0.07 Uiso calc U . R 1 . .
C C71 0.6526(8) 0.9833(8) 0.3816(4) 0.046(4) Uani d . . . 1 . .
C C72 0.6385(9) 1.0046(9) 0.4056(5) 0.055(5) Uani d . . . 1 . .
H H72 0.613317 0.977522 0.419227 0.066 Uiso calc U . R 1 . .
C C73 0.6592(12) 1.0607(11) 0.4097(5) 0.071(6) Uani d . . . 1 . .
H H73 0.647904 1.073845 0.425757 0.085 Uiso calc U . R 1 . .
C C74 0.6974(13) 1.1004(9) 0.3906(6) 0.086(9) Uani d . . . 1 . .
H H74 0.713479 1.140676 0.394847 0.103 Uiso calc U . R 1 . .
C C75 0.7138(13) 1.0869(12) 0.3668(5) 0.086(8) Uani d . . . 1 . .
H H75 0.738063 1.115463 0.353465 0.103 Uiso calc U . R 1 . .
C C76 0.6917(10) 1.0255(10) 0.3628(5) 0.069(6) Uani d . . . 1 . .
H H76 0.703974 1.012978 0.346938 0.083 Uiso calc U . R 1 . .
C C77 0.4460(7) 1.0005(8) 0.3605(4) 0.042(4) Uani d . . . 1 . .
C C78 0.4937(9) 0.9907(9) 0.3599(5) 0.057(5) Uani d . . . 1 . .
H H78 0.488398 0.953592 0.365067 0.068 Uiso calc U . R 1 . .
C C79 0.5454(8) 1.0329(10) 0.3523(5) 0.062(6) Uani d . . . 1 . .
H H79 0.577212 1.025726 0.35284 0.075 Uiso calc U . R 1 . .
C C80 0.5559(9) 1.0860(10) 0.3437(5) 0.065(6) Uani d . . . 1 . .
H H80 0.594051 1.114763 0.337974 0.078 Uiso calc U . R 1 . .
C C81 0.5118(9) 1.0979(9) 0.3433(4) 0.055(5) Uani d . . . 1 . .
H H81 0.518372 1.134956 0.337225 0.066 Uiso calc U . R 1 . .
C C82 0.4574(9) 1.0556(9) 0.3520(5) 0.057(5) Uani d . . . 1 . .
H H82 0.426472 1.064156 0.352158 0.069 Uiso calc U . R 1 . .
C C83 0.3371(8) 0.9107(8) 0.3392(4) 0.045(4) Uani d . . . 1 . .
C C84 0.3544(10) 0.9372(9) 0.3124(4) 0.055(5) Uani d . . . 1 . .
H H84 0.385879 0.976204 0.310774 0.066 Uiso calc U . R 1 . .
C C85 0.3267(9) 0.9075(10) 0.2896(5) 0.060(5) Uani d . . . 1 . .
H H85 0.33993 0.925954 0.271959 0.072 Uiso calc U . R 1 . .
C C86 0.2799(9) 0.8514(10) 0.2902(5) 0.059(5) Uani d . . . 1 . .
H H86 0.261791 0.831398 0.273376 0.071 Uiso calc U . R 1 . .
C C87 0.2600(10) 0.8249(9) 0.3158(5) 0.059(5) Uani d . . . 1 . .
H H87 0.225928 0.78734 0.316909 0.07 Uiso calc U . R 1 . .
C C88 0.2906(7) 0.8540(6) 0.3405(4) 0.037(4) Uani d . . . 1 . .
H H88 0.279086 0.834431 0.35794 0.044 Uiso calc U . R 1 . .
C C89 0.3375(8) 0.9819(7) 0.3830(5) 0.050(5) Uani d . . . 1 . .
C C90 0.3029(10) 0.9958(8) 0.3654(4) 0.054(5) Uani d . . . 1 . .
H H90 0.298928 0.985519 0.346142 0.065 Uiso calc U . R 1 . .
C C91 0.2755(13) 1.0236(14) 0.3757(8) 0.098(10) Uani d U . . 1 . .
H H91 0.249886 1.029549 0.364108 0.117 Uiso calc U . R 1 . .
C C92 0.2846(14) 1.0434(13) 0.4033(7) 0.090(9) Uani d U . . 1 . .
H H92 0.264891 1.061806 0.411183 0.108 Uiso calc U . R 1 . .
C C93 0.3235(11) 1.0346(9) 0.4180(5) 0.063(6) Uani d . . . 1 . .
H H93 0.333484 1.051298 0.436103 0.076 Uiso calc U . R 1 . .
C C94 0.3484(9) 1.0055(10) 0.4096(5) 0.058(5) Uani d . . . 1 . .
H H94 0.374069 1.000418 0.421667 0.07 Uiso calc U . R 1 . .
C C95 0.5613(7) 1.0688(8) 0.4664(4) 0.042(4) Uani d . . . 1 . .
C C96 0.6088(10) 1.1263(8) 0.4677(5) 0.058(5) Uani d . . . 1 . .
H H96 0.633314 1.138677 0.483677 0.07 Uiso calc U . R 1 . .
C C97 0.6204(12) 1.1657(12) 0.4456(5) 0.079(7) Uani d . . . 1 . .
H H97 0.653692 1.203775 0.445631 0.094 Uiso calc U . R 1 . .
C C98 0.5796(13) 1.1453(12) 0.4234(5) 0.074(7) Uani d U . . 1 . .
H H98 0.584614 1.171501 0.408621 0.089 Uiso calc U . R 1 . .
C C99 0.5338(14) 1.0903(11) 0.4223(5) 0.080(8) Uani d . . . 1 . .
H H99 0.507442 1.077724 0.406984 0.096 Uiso calc U . R 1 . .
C C100 0.5266(9) 1.0539(8) 0.4433(4) 0.052(5) Uani d . . . 1 . .
H H100 0.494977 1.014882 0.442076 0.062 Uiso calc U . R 1 . .
C C101 0.5028(7) 1.0306(7) 0.5185(4) 0.040(4) Uani d . . . 1 . .
C C102 0.4697(7) 0.9872(7) 0.5380(3) 0.033(3) Uani d . . . 1 . .
H H102 0.471611 0.95227 0.5379 0.04 Uiso calc U . R 1 . .
C C103 0.4345(9) 0.9930(9) 0.5571(5) 0.066(6) Uani d . . . 1 . .
H H103 0.414205 0.963957 0.570897 0.079 Uiso calc U . R 1 . .
C C104 0.4292(8) 1.0428(9) 0.5557(4) 0.048(5) Uani d . . . 1 . .
H H104 0.404083 1.046687 0.568646 0.058 Uiso calc U . R 1 . .
C C105 0.4574(9) 1.0849(10) 0.5373(4) 0.057(5) Uani d . . . 1 . .
H H105 0.450435 1.116822 0.53635 0.068 Uiso calc U . R 1 . .
C C106 0.4980(11) 1.0823(9) 0.5190(5) 0.060(5) Uani d . . . 1 . .
H H106 0.521716 1.114335 0.507114 0.072 Uiso calc U . R 1 . .
C C107 0.6136(8) 1.0406(6) 0.5116(4) 0.051(5) Uani d U . . 1 . .
C C108 0.6514(7) 1.0233(8) 0.5012(4) 0.046(4) Uani d . . . 1 . .
H H108 0.639403 0.998114 0.48542 0.055 Uiso calc U . R 1 . .
C C109 0.7051(9) 1.0405(10) 0.5125(5) 0.066(6) Uani d U . . 1 . .
H H109 0.72888 1.025872 0.505337 0.08 Uiso calc U . R 1 . .
C C110 0.7237(10) 1.0786(10) 0.5339(5) 0.070(7) Uani d . . . 1 . .
H H110 0.762055 1.093508 0.541155 0.084 Uiso calc U . R 1 . .
C C111 0.6882(10) 1.0954(9) 0.5450(5) 0.064(6) Uani d . . . 1 . .
H H111 0.700961 1.12052 0.560787 0.077 Uiso calc U . R 1 . .
C C112 0.6341(9) 1.0776(8) 0.5342(4) 0.050(5) Uani d . . . 1 . .
H H112 0.610093 1.090819 0.542528 0.061 Uiso calc U . R 1 . .
C C113 0.5637(7) 0.2371(7) 0.5715(4) 0.042(4) Uani d . . . 1 . .
C C114 0.6004(9) 0.2376(8) 0.5509(4) 0.052(5) Uani d . . . 1 . .
H H114 0.633464 0.23438 0.555978 0.063 Uiso calc U . R 1 . .
C C115 0.5902(8) 0.2427(9) 0.5229(4) 0.053(5) Uani d . . . 1 . .
H H115 0.614504 0.240231 0.509039 0.063 Uiso calc U . R 1 . .
C C116 0.5450(8) 0.2513(9) 0.5152(4) 0.047(4) Uani d . . . 1 . .
H H116 0.537302 0.255561 0.496223 0.057 Uiso calc U . R 1 . .
C C117 0.5108(11) 0.2535(10) 0.5371(5) 0.067(6) Uani d . . . 1 . .
H H117 0.479996 0.260591 0.532325 0.08 Uiso calc U . R 1 . .
C C118 0.5178(8) 0.2463(8) 0.5640(4) 0.046(4) Uani d . . . 1 . .
H H118 0.492447 0.247472 0.577679 0.056 Uiso calc U . R 1 . .
C C119 0.5153(8) 0.2033(7) 0.6249(4) 0.045(4) Uani d . . . 1 . .
C C120 0.4633(11) 0.1593(11) 0.6147(5) 0.069(7) Uani d . . . 1 . .
H H120 0.460924 0.145936 0.59608 0.083 Uiso calc U . R 1 . .
C C121 0.4100(10) 0.1322(12) 0.6331(8) 0.089(9) Uani d U . . 1 . .
H H121 0.374854 0.100049 0.626228 0.107 Uiso calc U . R 1 . .
C C122 0.4105(13) 0.1514(12) 0.6583(7) 0.086(9) Uani d U . . 1 . .
H H122 0.37506 0.135225 0.668597 0.103 Uiso calc U . R 1 . .
C C123 0.4614(13) 0.1947(12) 0.6703(6) 0.082(8) Uani d . . . 1 . .
H H123 0.462169 0.207439 0.688908 0.098 Uiso calc U . R 1 . .
C C124 0.5123(9) 0.2193(9) 0.6535(5) 0.056(5) Uani d . . . 1 . .
H H124 0.547516 0.248715 0.661739 0.068 Uiso calc U . R 1 . .
C C125 0.6030(7) 0.1786(7) 0.6101(4) 0.040(4) Uani d . . . 1 . .
C C126 0.5728(9) 0.1243(9) 0.5950(5) 0.055(5) Uani d . . . 1 . .
H H126 0.542288 0.117053 0.582217 0.066 Uiso calc U . R 1 . .
C C127 0.5890(11) 0.0846(9) 0.5994(5) 0.064(6) Uani d . . . 1 . .
H H127 0.570176 0.048804 0.589334 0.077 Uiso calc U . R 1 . .
C C128 0.6311(11) 0.0939(12) 0.6177(6) 0.071(7) Uani d . . . 1 . .
H H128 0.63989 0.063604 0.620721 0.085 Uiso calc U . R 1 . .
C C129 0.6626(14) 0.1462(13) 0.6325(7) 0.093(9) Uani d U . . 1 . .
H H129 0.693951 0.152881 0.644518 0.112 Uiso calc U . R 1 . .
C C130 0.6461(8) 0.1870(7) 0.6287(4) 0.041(4) Uani d . . . 1 . .
H H130 0.6648 0.222093 0.639292 0.049 Uiso calc U . R 1 . .
P P6 0.333333 0.666667 0.7695(3) 0.077(3) Uani d T P S 1 . .
F F1 0.3485(12) 0.6296(10) 0.7514(5) 0.141(8) Uani d U . . 1 . .
F F2 0.3365(18) 0.7172(13) 0.7886(5) 0.186(12) Uani d U . . 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
C31 Ag1 Ag1 . 2_665 156.4(4) ?
C31 Ag1 Ag1 . 3_565 124.1(4) ?
Ag1 Ag1 Ag1 2_665 3_565 60.0 ?
C31 Ag1 Cu2 . . 44.1(4) ?
Ag1 Ag1 Cu2 2_665 . 157.14(6) ?
Ag1 Ag1 Cu2 3_565 . 124.51(8) ?
C31 Ag1 Br2 . . 91.8(4) ?
Ag1 Ag1 Br2 2_665 . 79.66(7) ?
Ag1 Ag1 Br2 3_565 . 139.59(7) ?
Cu2 Ag1 Br2 . . 93.48(6) ?
C31 Ag1 Ag3 . . 141.5(4) ?
Ag1 Ag1 Ag3 2_665 . 62.06(3) ?
Ag1 Ag1 Ag3 3_565 . 62.06(3) ?
Cu2 Ag1 Ag3 . . 98.90(6) ?
Br2 Ag1 Ag3 . . 102.54(6) ?
C31 Ag1 Ag4 . . 95.7(4) ?
Ag1 Ag1 Ag4 2_665 . 102.41(4) ?
Ag1 Ag1 Ag4 3_565 . 116.12(3) ?
Cu2 Ag1 Ag4 . . 54.83(5) ?
Br2 Ag1 Ag4 . . 72.45(5) ?
Ag3 Ag1 Ag4 . . 56.60(4) ?
C31 Ag1 Ag5 . . 87.0(4) ?
Ag1 Ag1 Ag5 2_665 . 115.10(4) ?
Ag1 Ag1 Ag5 3_565 . 73.67(5) ?
Cu2 Ag1 Ag5 . . 54.49(5) ?
Br2 Ag1 Ag5 . . 131.72(6) ?
Ag3 Ag1 Ag5 . . 56.81(3) ?
Ag4 Ag1 Ag5 . . 59.71(4) ?
C1 Ag2 Ag5 . . 155.7(4) ?
C1 Ag2 Ag4 . 3_565 124.4(4) ?
Ag5 Ag2 Ag4 . 3_565 59.81(5) ?
C1 Ag2 Cu1 . . 44.3(3) ?
Ag5 Ag2 Cu1 . . 157.76(7) ?
Ag4 Ag2 Cu1 3_565 . 124.45(6) ?
C1 Ag2 Br1 . 2_665 91.3(4) ?
Ag5 Ag2 Br1 . 2_665 79.83(5) ?
Ag4 Ag2 Br1 3_565 2_665 139.57(6) ?
Cu1 Ag2 Br1 . 2_665 93.73(5) ?
C1 Ag2 Ag3 . . 142.4(4) ?
Ag5 Ag2 Ag3 . . 61.91(4) ?
Ag4 Ag2 Ag3 3_565 . 61.59(4) ?
Cu1 Ag2 Ag3 . . 99.56(7) ?
Br1 Ag2 Ag3 2_665 . 103.00(5) ?
C1 Ag2 Ag2 . 3_565 87.6(4) ?
Ag5 Ag2 Ag2 . 3_565 115.04(4) ?
Ag4 Ag2 Ag2 3_565 3_565 73.15(5) ?
Cu1 Ag2 Ag2 . 3_565 54.93(4) ?
Br1 Ag2 Ag2 2_665 3_565 132.59(6) ?
Ag3 Ag2 Ag2 . 3_565 57.07(3) ?
C1 Ag2 Ag2 . 2_665 95.9(3) ?
Ag5 Ag2 Ag2 . 2_665 102.93(5) ?
Ag4 Ag2 Ag2 3_565 2_665 115.99(4) ?
Cu1 Ag2 Ag2 . 2_665 54.93(4) ?
Br1 Ag2 Ag2 2_665 2_665 73.01(6) ?
Ag3 Ag2 Ag2 . 2_665 57.07(3) ?
Ag2 Ag2 Ag2 3_565 2_665 60.0000(10) ?
Ag4 Ag3 Ag4 2_665 3_565 118.03(2) ?
Ag4 Ag3 Ag4 2_665 . 118.03(2) ?
Ag4 Ag3 Ag4 3_565 . 118.03(2) ?
Ag4 Ag3 Ag1 2_665 2_665 66.46(4) ?
Ag4 Ag3 Ag1 3_565 2_665 119.63(6) ?
Ag4 Ag3 Ag1 . 2_665 105.22(5) ?
Ag4 Ag3 Ag1 2_665 . 119.63(6) ?
Ag4 Ag3 Ag1 3_565 . 105.22(5) ?
Ag4 Ag3 Ag1 . . 66.46(4) ?
Ag1 Ag3 Ag1 2_665 . 55.88(6) ?
Ag4 Ag3 Ag1 2_665 3_565 105.22(5) ?
Ag4 Ag3 Ag1 3_565 3_565 66.46(4) ?
Ag4 Ag3 Ag1 . 3_565 119.63(6) ?
Ag1 Ag3 Ag1 2_665 3_565 55.88(6) ?
Ag1 Ag3 Ag1 . 3_565 55.88(6) ?
Ag4 Ag3 Ag5 2_665 2_665 66.17(4) ?
Ag4 Ag3 Ag5 3_565 2_665 173.37(6) ?
Ag4 Ag3 Ag5 . 2_665 55.97(4) ?
Ag1 Ag3 Ag5 2_665 2_665 66.40(4) ?
Ag1 Ag3 Ag5 . 2_665 75.53(5) ?
Ag1 Ag3 Ag5 3_565 2_665 118.28(7) ?
Ag4 Ag3 Ag5 2_665 3_565 55.98(4) ?
Ag4 Ag3 Ag5 3_565 3_565 66.17(4) ?
Ag4 Ag3 Ag5 . 3_565 173.37(6) ?
Ag1 Ag3 Ag5 2_665 3_565 75.53(5) ?
Ag1 Ag3 Ag5 . 3_565 118.28(7) ?
Ag1 Ag3 Ag5 3_565 3_565 66.40(4) ?
Ag5 Ag3 Ag5 2_665 3_565 119.515(12) ?
Ag4 Ag3 Ag5 2_665 . 173.37(6) ?
Ag4 Ag3 Ag5 3_565 . 55.98(4) ?
Ag4 Ag3 Ag5 . . 66.17(4) ?
Ag1 Ag3 Ag5 2_665 . 118.28(7) ?
Ag1 Ag3 Ag5 . . 66.39(4) ?
Ag1 Ag3 Ag5 3_565 . 75.53(5) ?
Ag5 Ag3 Ag5 2_665 . 119.514(12) ?
Ag5 Ag3 Ag5 3_565 . 119.516(12) ?
Ag4 Ag3 Ag2 2_665 . 119.13(7) ?
Ag4 Ag3 Ag2 3_565 . 56.11(4) ?
Ag4 Ag3 Ag2 . . 74.92(5) ?
Ag1 Ag3 Ag2 2_665 . 173.81(6) ?
Ag1 Ag3 Ag2 . . 119.54(4) ?
Ag1 Ag3 Ag2 3_565 . 118.49(4) ?
Ag5 Ag3 Ag2 2_665 . 117.63(6) ?
Ag5 Ag3 Ag2 3_565 . 105.08(5) ?
Ag5 Ag3 Ag2 . . 55.91(4) ?
Ag4 Ag3 Ag2 2_665 2_665 74.92(5) ?
Ag4 Ag3 Ag2 3_565 2_665 119.13(7) ?
Ag4 Ag3 Ag2 . 2_665 56.11(4) ?
Ag1 Ag3 Ag2 2_665 2_665 119.54(4) ?
Ag1 Ag3 Ag2 . 2_665 118.49(4) ?
Ag1 Ag3 Ag2 3_565 2_665 173.81(6) ?
Ag5 Ag3 Ag2 2_665 2_665 55.91(4) ?
Ag5 Ag3 Ag2 3_565 2_665 117.63(6) ?
Ag5 Ag3 Ag2 . 2_665 105.08(5) ?
Ag2 Ag3 Ag2 . 2_665 65.85(6) ?
Ag4 Ag3 Ag2 2_665 3_565 56.11(4) ?
Ag4 Ag3 Ag2 3_565 3_565 74.92(5) ?
Ag4 Ag3 Ag2 . 3_565 119.13(7) ?
Ag1 Ag3 Ag2 2_665 3_565 118.49(4) ?
Ag1 Ag3 Ag2 . 3_565 173.81(6) ?
Ag1 Ag3 Ag2 3_565 3_565 119.54(4) ?
Ag5 Ag3 Ag2 2_665 3_565 105.08(5) ?
Ag5 Ag3 Ag2 3_565 3_565 55.91(4) ?
Ag5 Ag3 Ag2 . 3_565 117.63(6) ?
Ag2 Ag3 Ag2 . 3_565 65.85(6) ?
Ag2 Ag3 Ag2 2_665 3_565 65.85(6) ?
C11 Ag4 Ag5 . 2_665 124.4(4) ?
C11 Ag4 Ag2 . 2_665 156.9(4) ?
Ag5 Ag4 Ag2 2_665 2_665 60.03(5) ?
C11 Ag4 Cu2 . . 43.2(4) ?
Ag5 Ag4 Cu2 2_665 . 124.67(7) ?
Ag2 Ag4 Cu2 2_665 . 157.39(7) ?
C11 Ag4 Br1 . 2_665 90.7(4) ?
Ag5 Ag4 Br1 2_665 2_665 140.24(6) ?
Ag2 Ag4 Br1 2_665 2_665 80.36(5) ?
Cu2 Ag4 Br1 . 2_665 93.10(6) ?
C11 Ag4 Ag3 . . 140.8(4) ?
Ag5 Ag4 Ag3 2_665 . 62.23(4) ?
Ag2 Ag4 Ag3 2_665 . 62.30(5) ?
Cu2 Ag4 Ag3 . . 98.97(6) ?
Br1 Ag4 Ag3 2_665 . 103.77(6) ?
C11 Ag4 Ag5 . . 94.6(4) ?
Ag5 Ag4 Ag5 2_665 . 116.82(6) ?
Ag2 Ag4 Ag5 2_665 . 102.86(5) ?
Cu2 Ag4 Ag5 . . 54.62(5) ?
Br1 Ag4 Ag5 2_665 . 72.82(5) ?
Ag3 Ag4 Ag5 . . 57.09(3) ?
C11 Ag4 Ag1 . . 86.4(3) ?
Ag5 Ag4 Ag1 2_665 . 73.74(5) ?
Ag2 Ag4 Ag1 2_665 . 115.37(5) ?
Cu2 Ag4 Ag1 . . 54.58(5) ?
Br1 Ag4 Ag1 2_665 . 132.45(6) ?
Ag3 Ag4 Ag1 . . 56.94(5) ?
Ag5 Ag4 Ag1 . . 60.20(4) ?
C21 Ag5 Ag4 . 3_565 156.5(4) ?
C21 Ag5 Ag2 . . 124.8(4) ?
Ag4 Ag5 Ag2 3_565 . 60.16(5) ?
C21 Ag5 Cu2 . . 44.0(4) ?
Ag4 Ag5 Cu2 3_565 . 156.87(7) ?
Ag2 Ag5 Cu2 . . 124.60(7) ?
C21 Ag5 Br2 . 3_565 90.3(4) ?
Ag4 Ag5 Br2 3_565 3_565 80.23(5) ?
Ag2 Ag5 Br2 . 3_565 140.28(6) ?
Cu2 Ag5 Br2 . 3_565 92.88(6) ?
C21 Ag5 Ag3 . . 141.7(3) ?
Ag4 Ag5 Ag3 3_565 . 61.79(4) ?
Ag2 Ag5 Ag3 . . 62.18(5) ?
Cu2 Ag5 Ag3 . . 99.00(6) ?
Br2 Ag5 Ag3 3_565 . 103.04(6) ?
C21 Ag5 Ag4 . . 87.7(3) ?
Ag4 Ag5 Ag4 3_565 . 114.65(6) ?
Ag2 Ag5 Ag4 . . 73.20(5) ?
Cu2 Ag5 Ag4 . . 55.02(5) ?
Br2 Ag5 Ag4 3_565 . 132.11(6) ?
Ag3 Ag5 Ag4 . . 56.73(3) ?
C21 Ag5 Ag1 . . 95.2(4) ?
Ag4 Ag5 Ag1 3_565 . 102.32(5) ?
Ag2 Ag5 Ag1 . . 116.36(5) ?
Cu2 Ag5 Ag1 . . 54.63(5) ?
Br2 Ag5 Ag1 3_565 . 72.49(5) ?
Ag3 Ag5 Ag1 . . 56.79(5) ?
Ag4 Ag5 Ag1 . . 60.09(4) ?
C31 Ag6 P2 . . 134.5(4) ?
C31 Ag6 C21 . . 91.3(5) ?
P2 Ag6 C21 . . 119.5(4) ?
C31 Ag6 Cu2 . . 46.0(4) ?
P2 Ag6 Cu2 . . 146.39(13) ?
C21 Ag6 Cu2 . . 45.4(3) ?
C31 Ag6 Br2 . 3_565 95.9(3) ?
P2 Ag6 Br2 . 3_565 115.01(12) ?
C21 Ag6 Br2 . 3_565 90.4(3) ?
Cu2 Ag6 Br2 . 3_565 96.56(6) ?
P3 Ag7 C11 . . 134.8(4) ?
P3 Ag7 C31 . . 117.7(4) ?
C11 Ag7 C31 . . 90.7(5) ?
P3 Ag7 Cu2 . . 145.07(13) ?
C11 Ag7 Cu2 . . 45.1(4) ?
C31 Ag7 Cu2 . . 45.7(4) ?
P3 Ag7 Br2 . . 114.68(13) ?
C11 Ag7 Br2 . . 96.4(3) ?
C31 Ag7 Br2 . . 93.2(3) ?
Cu2 Ag7 Br2 . . 98.32(6) ?
P4 Ag8 C21 . . 135.3(4) ?
P4 Ag8 C11 . . 118.9(4) ?
C21 Ag8 C11 . . 90.2(5) ?
P4 Ag8 Cu2 . . 145.13(13) ?
C21 Ag8 Cu2 . . 45.6(4) ?
C11 Ag8 Cu2 . . 44.8(3) ?
P4 Ag8 Br1 . 2_665 115.41(12) ?
C21 Ag8 Br1 . 2_665 96.0(4) ?
C11 Ag8 Br1 . 2_665 90.3(3) ?
Cu2 Ag8 Br1 . 2_665 97.05(6) ?
C1 Ag9 P1 . . 134.5(4) ?
C1 Ag9 C1 . 3_565 91.1(6) ?
P1 Ag9 C1 . 3_565 116.4(4) ?
C1 Ag9 Cu1 . . 45.8(3) ?
P1 Ag9 Cu1 . . 143.82(13) ?
C1 Ag9 Cu1 3_565 . 45.3(3) ?
C1 Ag9 Br1 . . 98.5(4) ?
P1 Ag9 Br1 . . 114.60(11) ?
C1 Ag9 Br1 3_565 . 92.4(4) ?
Cu1 Ag9 Br1 . . 98.77(8) ?
P5 Ag10 P5 2_655 3_665 111.35(11) ?
P5 Ag10 P5 2_655 . 111.35(11) ?
P5 Ag10 P5 3_665 . 111.35(11) ?
P5 Ag10 Br3 2_655 . 107.52(12) ?
P5 Ag10 Br3 3_665 . 107.52(12) ?
P5 Ag10 Br3 . . 107.53(12) ?
C1 Cu1 C1 2_665 3_565 118.56(19) ?
C1 Cu1 C1 2_665 . 118.56(19) ?
C1 Cu1 C1 3_565 . 118.56(19) ?
C1 Cu1 Ag9 2_665 . 157.7(5) ?
C1 Cu1 Ag9 3_565 . 60.6(5) ?
C1 Cu1 Ag9 . . 58.0(5) ?
C1 Cu1 Ag9 2_665 3_565 60.6(5) ?
C1 Cu1 Ag9 3_565 3_565 58.0(5) ?
C1 Cu1 Ag9 . 3_565 157.7(5) ?
Ag9 Cu1 Ag9 . 3_565 113.29(6) ?
C1 Cu1 Ag9 2_665 2_665 58.0(5) ?
C1 Cu1 Ag9 3_565 2_665 157.7(5) ?
C1 Cu1 Ag9 . 2_665 60.6(5) ?
Ag9 Cu1 Ag9 . 2_665 113.29(6) ?
Ag9 Cu1 Ag9 3_565 2_665 113.29(6) ?
C1 Cu1 Ag2 2_665 2_665 56.1(4) ?
C1 Cu1 Ag2 3_565 2_665 108.4(5) ?
C1 Cu1 Ag2 . 2_665 120.9(5) ?
Ag9 Cu1 Ag2 . 2_665 146.13(12) ?
Ag9 Cu1 Ag2 3_565 2_665 78.36(5) ?
Ag9 Cu1 Ag2 2_665 2_665 87.94(5) ?
C1 Cu1 Ag2 2_665 3_565 120.9(5) ?
C1 Cu1 Ag2 3_565 3_565 56.1(4) ?
C1 Cu1 Ag2 . 3_565 108.4(5) ?
Ag9 Cu1 Ag2 . 3_565 78.36(5) ?
Ag9 Cu1 Ag2 3_565 3_565 87.94(5) ?
Ag9 Cu1 Ag2 2_665 3_565 146.13(12) ?
Ag2 Cu1 Ag2 2_665 3_565 70.15(8) ?
C1 Cu1 Ag2 2_665 . 108.4(5) ?
C1 Cu1 Ag2 3_565 . 120.9(4) ?
C1 Cu1 Ag2 . . 56.1(4) ?
Ag9 Cu1 Ag2 . . 87.94(5) ?
Ag9 Cu1 Ag2 3_565 . 146.13(12) ?
Ag9 Cu1 Ag2 2_665 . 78.36(5) ?
Ag2 Cu1 Ag2 2_665 . 70.15(8) ?
Ag2 Cu1 Ag2 3_565 . 70.14(8) ?
C11 Cu2 C21 . . 119.0(6) ?
C11 Cu2 C31 . . 118.9(6) ?
C21 Cu2 C31 . . 117.8(7) ?
C11 Cu2 Ag7 . . 58.8(4) ?
C21 Cu2 Ag7 . . 156.7(4) ?
C31 Cu2 Ag7 . . 60.1(5) ?
C11 Cu2 Ag8 . . 60.2(4) ?
C21 Cu2 Ag8 . . 58.9(5) ?
C31 Cu2 Ag8 . . 154.6(4) ?
Ag7 Cu2 Ag8 . . 111.82(8) ?
C11 Cu2 Ag6 . . 155.9(4) ?
C21 Cu2 Ag6 . . 59.6(5) ?
C31 Cu2 Ag6 . . 58.3(5) ?
Ag7 Cu2 Ag6 . . 111.90(8) ?
Ag8 Cu2 Ag6 . . 111.02(8) ?
C11 Cu2 Ag5 . . 120.3(4) ?
C21 Cu2 Ag5 . . 55.6(4) ?
C31 Cu2 Ag5 . . 109.1(4) ?
Ag7 Cu2 Ag5 . . 147.54(9) ?
Ag8 Cu2 Ag5 . . 89.72(7) ?
Ag6 Cu2 Ag5 . . 79.99(6) ?
C11 Cu2 Ag1 . . 108.0(4) ?
C21 Cu2 Ag1 . . 120.9(4) ?
C31 Cu2 Ag1 . . 56.6(4) ?
Ag7 Cu2 Ag1 . . 78.75(6) ?
Ag8 Cu2 Ag1 . . 148.65(9) ?
Ag6 Cu2 Ag1 . . 90.18(7) ?
Ag5 Cu2 Ag1 . . 70.89(6) ?
C11 Cu2 Ag4 . . 55.3(4) ?
C21 Cu2 Ag4 . . 108.6(5) ?
C31 Cu2 Ag4 . . 121.9(4) ?
Ag7 Cu2 Ag4 . . 89.18(7) ?
Ag8 Cu2 Ag4 . . 79.88(7) ?
Ag6 Cu2 Ag4 . . 148.51(9) ?
Ag5 Cu2 Ag4 . . 70.36(6) ?
Ag1 Cu2 Ag4 . . 70.59(6) ?
Ag9 Br1 Ag8 . 3_565 158.67(7) ?
Ag9 Br1 Ag4 . 3_565 120.77(6) ?
Ag8 Br1 Ag4 3_565 3_565 76.92(5) ?
Ag9 Br1 Ag2 . 3_565 76.75(5) ?
Ag8 Br1 Ag2 3_565 3_565 121.19(7) ?
Ag4 Br1 Ag2 3_565 3_565 78.31(5) ?
Ag7 Br2 Ag6 . 2_665 158.82(7) ?
Ag7 Br2 Ag5 . 2_665 121.08(7) ?
Ag6 Br2 Ag5 2_665 2_665 76.92(5) ?
Ag7 Br2 Ag1 . . 75.68(5) ?
Ag6 Br2 Ag1 2_665 . 121.66(7) ?
Ag5 Br2 Ag1 2_665 . 78.89(5) ?
C53 P1 C47 . . 105.3(8) ?
C53 P1 C41 . . 103.0(8) ?
C47 P1 C41 . . 105.5(7) ?
C53 P1 Ag9 . . 116.7(6) ?
C47 P1 Ag9 . . 111.2(5) ?
C41 P1 Ag9 . . 114.1(6) ?
C59 P2 C71 . . 105.3(9) ?
C59 P2 C65 . . 104.2(9) ?
C71 P2 C65 . . 106.4(8) ?
C59 P2 Ag6 . . 113.1(7) ?
C71 P2 Ag6 . . 112.8(6) ?
C65 P2 Ag6 . . 114.1(6) ?
C83 P3 C89 . . 103.6(9) ?
C83 P3 C77 . . 105.3(9) ?
C89 P3 C77 . . 105.0(8) ?
C83 P3 Ag7 . . 114.1(6) ?
C89 P3 Ag7 . . 115.2(7) ?
C77 P3 Ag7 . . 112.6(6) ?
C101 P4 C95 . . 105.8(9) ?
C101 P4 C107 . . 104.6(9) ?
C95 P4 C107 . . 105.2(8) ?
C101 P4 Ag8 . . 112.7(6) ?
C95 P4 Ag8 . . 112.1(6) ?
C107 P4 Ag8 . . 115.7(6) ?
C119 P5 C113 . . 102.6(9) ?
C119 P5 C125 . . 102.0(8) ?
C113 P5 C125 . . 105.8(9) ?
C119 P5 Ag10 . . 121.0(6) ?
C113 P5 Ag10 . . 112.5(5) ?
C125 P5 Ag10 . . 111.5(6) ?
C2 C1 Cu1 . . 169.6(15) ?
C2 C1 Ag9 . . 96.1(12) ?
Cu1 C1 Ag9 . . 76.2(5) ?
C2 C1 Ag2 . . 96.4(12) ?
Cu1 C1 Ag2 . . 79.7(5) ?
Ag9 C1 Ag2 . . 108.1(6) ?
C2 C1 Ag9 . 2_665 115.8(12) ?
Cu1 C1 Ag9 . 2_665 74.1(5) ?
Ag9 C1 Ag9 . 2_665 139.8(7) ?
Ag2 C1 Ag9 . 2_665 92.6(5) ?
C1 C2 C3 . . 171.9(19) ?
C8 C3 C4 . . 121.9(17) ?
C8 C3 C2 . . 121.8(17) ?
C4 C3 C2 . . 116.1(17) ?
C5 C4 C3 . . 118.(2) ?
C5 C4 H4 . . 121.2 ?
C3 C4 H4 . . 121.2 ?
C4 C5 C6 . . 120.(3) ?
C4 C5 H5 . . 119.9 ?
C6 C5 H5 . . 119.9 ?
C7 C6 C5 . . 122.3(19) ?
C7 C6 H6 . . 118.9 ?
C5 C6 H6 . . 118.9 ?
C6 C7 C8 . . 114.(2) ?
C6 C7 H7 . . 123.1 ?
C8 C7 H7 . . 123.1 ?
C3 C8 C7 . . 123.(2) ?
C3 C8 H8 . . 118.3 ?
C7 C8 H8 . . 118.3 ?
C12 C11 Cu2 . . 169.1(13) ?
C12 C11 Ag4 . . 94.2(11) ?
Cu2 C11 Ag4 . . 81.5(6) ?
C12 C11 Ag7 . . 96.2(12) ?
Cu2 C11 Ag7 . . 76.1(5) ?
Ag4 C11 Ag7 . . 110.3(6) ?
C12 C11 Ag8 . . 115.6(12) ?
Cu2 C11 Ag8 . . 75.0(5) ?
Ag4 C11 Ag8 . . 96.0(6) ?
Ag7 C11 Ag8 . . 137.0(6) ?
C11 C12 C13 . . 175.7(19) ?
C18 C13 C14 . . 117.7(19) ?
C18 C13 C12 . . 121.5(19) ?
C14 C13 C12 . . 120.7(19) ?
C15 C14 C13 . . 121.(2) ?
C15 C14 H14 . . 119.7 ?
C13 C14 H14 . . 119.7 ?
C14 C15 C16 . . 120.(3) ?
C14 C15 H15 . . 119.8 ?
C16 C15 H15 . . 119.8 ?
C17 C16 C15 . . 117.(2) ?
C17 C16 H16 . . 121.3 ?
C15 C16 H16 . . 121.3 ?
C18 C17 C16 . . 123.(2) ?
C18 C17 H17 . . 118.6 ?
C16 C17 H17 . . 118.6 ?
C17 C18 C13 . . 121.(2) ?
C17 C18 H18 . . 119.6 ?
C13 C18 H18 . . 119.6 ?
C22 C21 Cu2 . . 167.5(15) ?
C22 C21 Ag5 . . 95.5(11) ?
Cu2 C21 Ag5 . . 80.5(5) ?
C22 C21 Ag8 . . 95.1(12) ?
Cu2 C21 Ag8 . . 75.5(5) ?
Ag5 C21 Ag8 . . 110.2(6) ?
C22 C21 Ag6 . . 117.3(12) ?
Cu2 C21 Ag6 . . 75.0(5) ?
Ag5 C21 Ag6 . . 96.2(6) ?
Ag8 C21 Ag6 . . 136.0(7) ?
C21 C22 C23 . . 173.8(19) ?
C24 C23 C22 . . 122.(2) ?
C24 C23 C28 . . 120.1(18) ?
C22 C23 C28 . . 117.4(18) ?
C23 C24 C25 . . 121.(2) ?
C23 C24 H24 . . 119.5 ?
C25 C24 H24 . . 119.5 ?
C26 C25 C24 . . 119.(2) ?
C26 C25 H25 . . 120.7 ?
C24 C25 H25 . . 120.7 ?
C25 C26 C27 . . 122.3(19) ?
C25 C26 H26 . . 118.8 ?
C27 C26 H26 . . 118.8 ?
C28 C27 C26 . . 121.(2) ?
C28 C27 H27 . . 119.5 ?
C26 C27 H27 . . 119.5 ?
C27 C28 C23 . . 117.(2) ?
C27 C28 H28 . . 121.7 ?
C23 C28 H28 . . 121.7 ?
C32 C31 Cu2 . . 170.4(15) ?
C32 C31 Ag6 . . 99.4(13) ?
Cu2 C31 Ag6 . . 75.7(5) ?
C32 C31 Ag1 . . 95.0(11) ?
Cu2 C31 Ag1 . . 79.3(5) ?
Ag6 C31 Ag1 . . 110.3(6) ?
C32 C31 Ag7 . . 114.0(14) ?
Cu2 C31 Ag7 . . 74.2(5) ?
Ag6 C31 Ag7 . . 137.3(6) ?
Ag1 C31 Ag7 . . 93.0(6) ?
C31 C32 C33 . . 177.(2) ?
C34 C33 C38 . . 121.3(19) ?
C34 C33 C32 . . 117.9(17) ?
C38 C33 C32 . . 120.6(19) ?
C33 C34 C35 . . 117.(2) ?
C33 C34 H34 . . 121.4 ?
C35 C34 H34 . . 121.4 ?
C36 C35 C34 . . 119.(2) ?
C36 C35 H35 . . 120.3 ?
C34 C35 H35 . . 120.3 ?
C37 C36 C35 . . 125.(2) ?
C37 C36 H36 . . 117.6 ?
C35 C36 H36 . . 117.6 ?
C36 C37 C38 . . 117.(2) ?
C36 C37 H37 . . 121.7 ?
C38 C37 H37 . . 121.7 ?
C37 C38 C33 . . 121.(2) ?
C37 C38 H38 . . 119.7 ?
C33 C38 H38 . . 119.7 ?
C42 C41 C46 . . 121.8(16) ?
C42 C41 P1 . . 122.5(14) ?
C46 C41 P1 . . 115.7(12) ?
C41 C42 C43 . . 119.2(19) ?
C41 C42 H42 . . 120.4 ?
C43 C42 H42 . . 120.4 ?
C44 C43 C42 . . 120.0(19) ?
C44 C43 H43 . . 120.0 ?
C42 C43 H43 . . 120.0 ?
C45 C44 C43 . . 121.1(19) ?
C45 C44 H44 . . 119.4 ?
C43 C44 H44 . . 119.4 ?
C44 C45 C46 . . 117.8(19) ?
C44 C45 H45 . . 121.1 ?
C46 C45 H45 . . 121.1 ?
C41 C46 C45 . . 119.8(15) ?
C41 C46 H46 . . 120.1 ?
C45 C46 H46 . . 120.1 ?
C48 C47 C52 . . 120.8(16) ?
C48 C47 P1 . . 124.5(13) ?
C52 C47 P1 . . 114.7(13) ?
C49 C48 C47 . . 119.7(17) ?
C49 C48 H48 . . 120.1 ?
C47 C48 H48 . . 120.1 ?
C48 C49 C50 . . 121.6(19) ?
C48 C49 H49 . . 119.2 ?
C50 C49 H49 . . 119.2 ?
C51 C50 C49 . . 118.2(18) ?
C51 C50 H50 . . 120.9 ?
C49 C50 H50 . . 120.9 ?
C50 C51 C52 . . 123.3(19) ?
C50 C51 H51 . . 118.4 ?
C52 C51 H51 . . 118.4 ?
C47 C52 C51 . . 116.2(18) ?
C47 C52 H52 . . 121.9 ?
C51 C52 H52 . . 121.9 ?
C58 C53 C54 . . 117.2(16) ?
C58 C53 P1 . . 125.6(15) ?
C54 C53 P1 . . 117.1(13) ?
C55 C54 C53 . . 120.1(18) ?
C55 C54 H54 . . 120.0 ?
C53 C54 H54 . . 120.0 ?
C54 C55 C56 . . 120.(2) ?
C54 C55 H55 . . 120.0 ?
C56 C55 H55 . . 120.0 ?
C57 C56 C55 . . 122.(2) ?
C57 C56 H56 . . 118.9 ?
C55 C56 H56 . . 118.9 ?
C56 C57 C58 . . 120.(2) ?
C56 C57 H57 . . 120.2 ?
C58 C57 H57 . . 120.2 ?
C53 C58 C57 . . 121.(2) ?
C53 C58 H58 . . 119.6 ?
C57 C58 H58 . . 119.6 ?
C60 C59 C64 . . 120.5(19) ?
C60 C59 P2 . . 121.0(17) ?
C64 C59 P2 . . 118.2(14) ?
C59 C60 C61 . . 118.(2) ?
C59 C60 H60 . . 121.2 ?
C61 C60 H60 . . 121.2 ?
C62 C61 C60 . . 118.(2) ?
C62 C61 H61 . . 121.0 ?
C60 C61 H61 . . 121.0 ?
C63 C62 C61 . . 122.(2) ?
C63 C62 H62 . . 119.0 ?
C61 C62 H62 . . 119.0 ?
C62 C63 C64 . . 120.(2) ?
C62 C63 H63 . . 120.0 ?
C64 C63 H63 . . 120.0 ?
C63 C64 C59 . . 121.1(19) ?
C63 C64 H64 . . 119.5 ?
C59 C64 H64 . . 119.5 ?
C66 C65 C70 . . 117.1(19) ?
C66 C65 P2 . . 120.4(14) ?
C70 C65 P2 . . 122.4(16) ?
C67 C66 C65 . . 125.0(17) ?
C67 C66 H66 . . 117.5 ?
C65 C66 H66 . . 117.5 ?
C66 C67 C68 . . 118.3(19) ?
C66 C67 H67 . . 120.8 ?
C68 C67 H67 . . 120.8 ?
C67 C68 C69 . . 120.(2) ?
C67 C68 H68 . . 119.8 ?
C69 C68 H68 . . 119.8 ?
C68 C69 C70 . . 118.(2) ?
C68 C69 H69 . . 120.9 ?
C70 C69 H69 . . 120.9 ?
C65 C70 C69 . . 121.(2) ?
C65 C70 H70 . . 119.7 ?
C69 C70 H70 . . 119.7 ?
C76 C71 C72 . . 116.3(19) ?
C76 C71 P2 . . 123.0(16) ?
C72 C71 P2 . . 120.6(14) ?
C73 C72 C71 . . 122.(2) ?
C73 C72 H72 . . 119.1 ?
C71 C72 H72 . . 119.1 ?
C72 C73 C74 . . 120.(2) ?
C72 C73 H73 . . 120.2 ?
C74 C73 H73 . . 120.2 ?
C75 C74 C73 . . 125.(2) ?
C75 C74 H74 . . 117.3 ?
C73 C74 H74 . . 117.3 ?
C74 C75 C76 . . 114.(2) ?
C74 C75 H75 . . 122.9 ?
C76 C75 H75 . . 122.9 ?
C71 C76 C75 . . 122.(2) ?
C71 C76 H76 . . 118.8 ?
C75 C76 H76 . . 118.8 ?
C82 C77 C78 . . 116.2(18) ?
C82 C77 P3 . . 122.4(14) ?
C78 C77 P3 . . 121.3(14) ?
C79 C78 C77 . . 120.(2) ?
C79 C78 H78 . . 120.1 ?
C77 C78 H78 . . 120.1 ?
C78 C79 C80 . . 124.(2) ?
C78 C79 H79 . . 118.2 ?
C80 C79 H79 . . 118.2 ?
C81 C80 C79 . . 120.(2) ?
C81 C80 H80 . . 120.2 ?
C79 C80 H80 . . 120.2 ?
C80 C81 C82 . . 119.(2) ?
C80 C81 H81 . . 120.6 ?
C82 C81 H81 . . 120.6 ?
C81 C82 C77 . . 122.(2) ?
C81 C82 H82 . . 118.9 ?
C77 C82 H82 . . 118.9 ?
C88 C83 C84 . . 117.7(17) ?
C88 C83 P3 . . 117.8(15) ?
C84 C83 P3 . . 124.4(15) ?
C85 C84 C83 . . 120.(2) ?
C85 C84 H84 . . 119.9 ?
C83 C84 H84 . . 119.9 ?
C84 C85 C86 . . 123.(2) ?
C84 C85 H85 . . 118.3 ?
C86 C85 H85 . . 118.3 ?
C85 C86 C87 . . 118.(2) ?
C85 C86 H86 . . 120.8 ?
C87 C86 H86 . . 120.8 ?
C86 C87 C88 . . 120.(2) ?
C86 C87 H87 . . 120.2 ?
C88 C87 H87 . . 120.2 ?
C83 C88 C87 . . 120.4(18) ?
C83 C88 H88 . . 119.8 ?
C87 C88 H88 . . 119.8 ?
C94 C89 C90 . . 116.6(18) ?
C94 C89 P3 . . 119.8(15) ?
C90 C89 P3 . . 123.1(17) ?
C91 C90 C89 . . 120.(2) ?
C91 C90 H90 . . 119.8 ?
C89 C90 H90 . . 119.8 ?
C90 C91 C92 . . 121.(3) ?
C90 C91 H91 . . 119.6 ?
C92 C91 H91 . . 119.6 ?
C93 C92 C91 . . 115.(2) ?
C93 C92 H92 . . 122.4 ?
C91 C92 H92 . . 122.4 ?
C94 C93 C92 . . 126.(2) ?
C94 C93 H93 . . 116.9 ?
C92 C93 H93 . . 116.9 ?
C93 C94 C89 . . 120.(2) ?
C93 C94 H94 . . 120.1 ?
C89 C94 H94 . . 120.1 ?
C100 C95 C96 . . 117.2(16) ?
C100 C95 P4 . . 120.5(14) ?
C96 C95 P4 . . 122.2(14) ?
C97 C96 C95 . . 121.(2) ?
C97 C96 H96 . . 119.6 ?
C95 C96 H96 . . 119.6 ?
C96 C97 C98 . . 116.(2) ?
C96 C97 H97 . . 121.9 ?
C98 C97 H97 . . 121.9 ?
C99 C98 C97 . . 123.(2) ?
C99 C98 H98 . . 118.7 ?
C97 C98 H98 . . 118.7 ?
C100 C99 C98 . . 118.(3) ?
C100 C99 H99 . . 120.8 ?
C98 C99 H99 . . 120.8 ?
C99 C100 C95 . . 125.(2) ?
C99 C100 H100 . . 117.7 ?
C95 C100 H100 . . 117.7 ?
C102 C101 C106 . . 117.1(16) ?
C102 C101 P4 . . 118.3(13) ?
C106 C101 P4 . . 124.6(14) ?
C103 C102 C101 . . 122.5(18) ?
C103 C102 H102 . . 118.8 ?
C101 C102 H102 . . 118.8 ?
C102 C103 C104 . . 118.(2) ?
C102 C103 H103 . . 121.0 ?
C104 C103 H103 . . 121.0 ?
C105 C104 C103 . . 123.(2) ?
C105 C104 H104 . . 118.4 ?
C103 C104 H104 . . 118.4 ?
C104 C105 C106 . . 120.(2) ?
C104 C105 H105 . . 120.1 ?
C106 C105 H105 . . 120.1 ?
C105 C106 C101 . . 119.2(18) ?
C105 C106 H106 . . 120.4 ?
C101 C106 H106 . . 120.4 ?
C112 C107 C108 . . 115.2(18) ?
C112 C107 P4 . . 125.4(17) ?
C108 C107 P4 . . 119.3(15) ?
C109 C108 C107 . . 123.4(19) ?
C109 C108 H108 . . 118.3 ?
C107 C108 H108 . . 118.3 ?
C110 C109 C108 . . 119.(2) ?
C110 C109 H109 . . 120.7 ?
C108 C109 H109 . . 120.7 ?
C111 C110 C109 . . 120.(2) ?
C111 C110 H110 . . 120.1 ?
C109 C110 H110 . . 120.1 ?
C110 C111 C112 . . 122.(2) ?
C110 C111 H111 . . 119.1 ?
C112 C111 H111 . . 119.1 ?
C111 C112 C107 . . 121.(2) ?
C111 C112 H112 . . 119.5 ?
C107 C112 H112 . . 119.5 ?
C114 C113 C118 . . 118.7(17) ?
C114 C113 P5 . . 118.4(14) ?
C118 C113 P5 . . 122.1(14) ?
C113 C114 C115 . . 121.4(19) ?
C113 C114 H114 . . 119.3 ?
C115 C114 H114 . . 119.3 ?
C116 C115 C114 . . 120.3(19) ?
C116 C115 H115 . . 119.8 ?
C114 C115 H115 . . 119.8 ?
C115 C116 C117 . . 115.8(17) ?
C115 C116 H116 . . 122.1 ?
C117 C116 H116 . . 122.1 ?
C118 C117 C116 . . 125.(2) ?
C118 C117 H117 . . 117.3 ?
C116 C117 H117 . . 117.3 ?
C117 C118 C113 . . 118.1(19) ?
C117 C118 H118 . . 120.9 ?
C113 C118 H118 . . 120.9 ?
C120 C119 C124 . . 114.0(18) ?
C120 C119 P5 . . 126.6(16) ?
C124 C119 P5 . . 119.2(14) ?
C119 C120 C121 . . 120.(3) ?
C119 C120 H120 . . 120.1 ?
C121 C120 H120 . . 120.1 ?
C122 C121 C120 . . 122.(3) ?
C122 C121 H121 . . 119.0 ?
C120 C121 H121 . . 119.0 ?
C121 C122 C123 . . 122.(2) ?
C121 C122 H122 . . 119.2 ?
C123 C122 H122 . . 119.2 ?
C122 C123 C124 . . 117.(2) ?
C122 C123 H123 . . 121.5 ?
C124 C123 H123 . . 121.5 ?
C123 C124 C119 . . 126.(2) ?
C123 C124 H124 . . 117.2 ?
C119 C124 H124 . . 117.2 ?
C130 C125 C126 . . 119.2(15) ?
C130 C125 P5 . . 117.2(12) ?
C126 C125 P5 . . 123.4(14) ?
C127 C126 C125 . . 117.9(19) ?
C127 C126 H126 . . 121.1 ?
C125 C126 H126 . . 121.1 ?
C126 C127 C128 . . 122.(2) ?
C126 C127 H127 . . 119.2 ?
C128 C127 H127 . . 119.2 ?
C127 C128 C129 . . 123.(2) ?
C127 C128 H128 . . 118.5 ?
C129 C128 H128 . . 118.5 ?
C130 C129 C128 . . 117.(2) ?
C130 C129 H129 . . 121.7 ?
C128 C129 H129 . . 121.7 ?
C129 C130 C125 . . 121.7(18) ?
C129 C130 H130 . . 119.1 ?
C125 C130 H130 . . 119.1 ?
F1 P6 F1 3_565 . 90.0(13) ?
F1 P6 F1 3_565 2_665 90.0(13) ?
F1 P6 F1 . 2_665 90.0(13) ?
F1 P6 F2 3_565 3_565 164.0(18) ?
F1 P6 F2 . 3_565 79.9(14) ?
F1 P6 F2 2_665 3_565 102.2(17) ?
F1 P6 F2 3_565 . 102.2(17) ?
F1 P6 F2 . . 164.0(19) ?
F1 P6 F2 2_665 . 79.9(15) ?
F2 P6 F2 3_565 . 90.1(14) ?
F1 P6 F2 3_565 2_665 79.9(15) ?
F1 P6 F2 . 2_665 102.2(17) ?
F1 P6 F2 2_665 2_665 164.0(18) ?
F2 P6 F2 3_565 2_665 90.1(14) ?
F2 P6 F2 . 2_665 90.1(14) ?
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 C31 . 2.420(15) ?
Ag1 Ag1 2_665 2.825(2) ?
Ag1 Ag1 3_565 2.825(2) ?
Ag1 Cu2 . 2.849(2) ?
Ag1 Br2 . 2.917(2) ?
Ag1 Ag3 . 3.015(2) ?
Ag1 Ag4 . 3.298(2) ?
Ag1 Ag5 . 3.302(2) ?
Ag2 C1 . 2.411(15) ?
Ag2 Ag5 . 2.8305(18) ?
Ag2 Ag4 3_565 2.8342(18) ?
Ag2 Cu1 . 2.859(3) ?
Ag2 Br1 2_665 2.908(2) ?
Ag2 Ag3 . 3.023(2) ?
Ag2 Ag2 3_565 3.286(2) ?
Ag2 Ag2 2_665 3.286(2) ?
Ag3 Ag4 2_665 3.0030(13) ?
Ag3 Ag4 3_565 3.0030(13) ?
Ag3 Ag4 . 3.0030(13) ?
Ag3 Ag5 2_665 3.0153(13) ?
Ag3 Ag5 3_565 3.0153(13) ?
Ag3 Ag5 . 3.0153(13) ?
Ag4 C11 . 2.376(15) ?
Ag4 Ag5 2_665 2.8243(18) ?
Ag4 Cu2 . 2.858(2) ?
Ag4 Br1 2_665 2.896(2) ?
Ag4 Ag5 . 3.2854(19) ?
Ag5 C21 . 2.379(15) ?
Ag5 Cu2 . 2.844(2) ?
Ag5 Br2 3_565 2.895(2) ?
Ag6 C31 . 2.385(16) ?
Ag6 P2 . 2.394(4) ?
Ag6 C21 . 2.426(17) ?
Ag6 Cu2 . 2.717(2) ?
Ag6 Br2 3_565 2.854(2) ?
Ag7 P3 . 2.381(4) ?
Ag7 C11 . 2.391(15) ?
Ag7 C31 . 2.446(16) ?
Ag7 Cu2 . 2.713(2) ?
Ag7 Br2 . 2.837(2) ?
Ag8 P4 . 2.394(4) ?
Ag8 C21 . 2.402(15) ?
Ag8 C11 . 2.440(14) ?
Ag8 Cu2 . 2.715(2) ?
Ag8 Br1 2_665 2.859(2) ?
Ag9 C1 . 2.398(16) ?
Ag9 P1 . 2.404(4) ?
Ag9 C1 3_565 2.488(16) ?
Ag9 Cu1 . 2.7468(15) ?
Ag9 Br1 . 2.797(2) ?
Ag10 P5 2_655 2.520(4) ?
Ag10 P5 3_665 2.520(4) ?
Ag10 P5 . 2.520(4) ?
Ag10 Br3 . 2.680(4) ?
Cu1 C1 2_665 2.028(14) ?
Cu1 C1 3_565 2.028(14) ?
Cu1 C1 . 2.028(14) ?
Cu2 C11 . 1.980(15) ?
Cu2 C21 . 2.002(15) ?
Cu2 C31 . 2.017(16) ?
P1 C53 . 1.807(17) ?
P1 C47 . 1.807(15) ?
P1 C41 . 1.821(16) ?
P2 C59 . 1.797(19) ?
P2 C71 . 1.80(2) ?
P2 C65 . 1.80(2) ?
P3 C83 . 1.778(18) ?
P3 C89 . 1.804(19) ?
P3 C77 . 1.806(19) ?
P4 C101 . 1.767(18) ?
P4 C95 . 1.798(16) ?
P4 C107 . 1.80(2) ?
P5 C119 . 1.766(18) ?
P5 C113 . 1.819(18) ?
P5 C125 . 1.831(17) ?
C1 C2 . 1.17(2) ?
C2 C3 . 1.50(2) ?
C3 C8 . 1.33(3) ?
C3 C4 . 1.43(3) ?
C4 C5 . 1.32(3) ?
C4 H4 . 0.95 ?
C5 C6 . 1.45(4) ?
C5 H5 . 0.95 ?
C6 C7 . 1.39(4) ?
C6 H6 . 0.95 ?
C7 C8 . 1.41(3) ?
C7 H7 . 0.95 ?
C8 H8 . 0.95 ?
C11 C12 . 1.24(2) ?
C12 C13 . 1.42(3) ?
C13 C18 . 1.38(3) ?
C13 C14 . 1.40(3) ?
C14 C15 . 1.36(3) ?
C14 H14 . 0.95 ?
C15 C16 . 1.39(4) ?
C15 H15 . 0.95 ?
C16 C17 . 1.37(3) ?
C16 H16 . 0.95 ?
C17 C18 . 1.33(3) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?
C21 C22 . 1.23(2) ?
C22 C23 . 1.42(2) ?
C23 C24 . 1.38(3) ?
C23 C28 . 1.43(3) ?
C24 C25 . 1.39(3) ?
C24 H24 . 0.95 ?
C25 C26 . 1.31(4) ?
C25 H25 . 0.95 ?
C26 C27 . 1.40(3) ?
C26 H26 . 0.95 ?
C27 C28 . 1.36(3) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C31 C32 . 1.18(2) ?
C32 C33 . 1.45(3) ?
C33 C34 . 1.39(3) ?
C33 C38 . 1.41(3) ?
C34 C35 . 1.43(3) ?
C34 H34 . 0.95 ?
C35 C36 . 1.37(4) ?
C35 H35 . 0.95 ?
C36 C37 . 1.36(3) ?
C36 H36 . 0.95 ?
C37 C38 . 1.41(3) ?
C37 H37 . 0.95 ?
C38 H38 . 0.95 ?
C41 C42 . 1.34(2) ?
C41 C46 . 1.36(2) ?
C42 C43 . 1.40(3) ?
C42 H42 . 0.95 ?
C43 C44 . 1.38(3) ?
C43 H43 . 0.95 ?
C44 C45 . 1.36(3) ?
C44 H44 . 0.95 ?
C45 C46 . 1.44(3) ?
C45 H45 . 0.95 ?
C46 H46 . 0.95 ?
C47 C48 . 1.39(2) ?
C47 C52 . 1.40(2) ?
C48 C49 . 1.38(3) ?
C48 H48 . 0.95 ?
C49 C50 . 1.39(3) ?
C49 H49 . 0.95 ?
C50 C51 . 1.34(3) ?
C50 H50 . 0.95 ?
C51 C52 . 1.44(3) ?
C51 H51 . 0.95 ?
C52 H52 . 0.95 ?
C53 C58 . 1.38(2) ?
C53 C54 . 1.45(2) ?
C54 C55 . 1.31(3) ?
C54 H54 . 0.95 ?
C55 C56 . 1.43(3) ?
C55 H55 . 0.95 ?
C56 C57 . 1.28(3) ?
C56 H56 . 0.95 ?
C57 C58 . 1.41(3) ?
C57 H57 . 0.95 ?
C58 H58 . 0.95 ?
C59 C60 . 1.37(3) ?
C59 C64 . 1.38(3) ?
C60 C61 . 1.46(3) ?
C60 H60 . 0.95 ?
C61 C62 . 1.38(3) ?
C61 H61 . 0.95 ?
C62 C63 . 1.34(3) ?
C62 H62 . 0.95 ?
C63 C64 . 1.37(3) ?
C63 H63 . 0.95 ?
C64 H64 . 0.95 ?
C65 C66 . 1.37(3) ?
C65 C70 . 1.40(2) ?
C66 C67 . 1.34(3) ?
C66 H66 . 0.95 ?
C67 C68 . 1.40(3) ?
C67 H67 . 0.95 ?
C68 C69 . 1.40(3) ?
C68 H68 . 0.95 ?
C69 C70 . 1.42(3) ?
C69 H69 . 0.95 ?
C70 H70 . 0.95 ?
C71 C76 . 1.40(3) ?
C71 C72 . 1.41(3) ?
C72 C73 . 1.31(3) ?
C72 H72 . 0.95 ?
C73 C74 . 1.38(4) ?
C73 H73 . 0.95 ?
C74 C75 . 1.33(4) ?
C74 H74 . 0.95 ?
C75 C76 . 1.43(4) ?
C75 H75 . 0.95 ?
C76 H76 . 0.95 ?
C77 C82 . 1.39(3) ?
C77 C78 . 1.41(3) ?
C78 C79 . 1.31(3) ?
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(3) ?
C81 H81 . 0.95 ?
C82 H82 . 0.95 ?
C83 C88 . 1.38(2) ?
C83 C84 . 1.42(3) ?
C84 C85 . 1.33(3) ?
C84 H84 . 0.95 ?
C85 C86 . 1.38(3) ?
C85 H85 . 0.95 ?
C86 C87 . 1.38(3) ?
C86 H86 . 0.95 ?
C87 C88 . 1.42(3) ?
C87 H87 . 0.95 ?
C88 H88 . 0.95 ?
C89 C94 . 1.38(3) ?
C89 C90 . 1.42(3) ?
C90 C91 . 1.36(3) ?
C90 H90 . 0.95 ?
C91 C92 . 1.39(4) ?
C91 H91 . 0.95 ?
C92 C93 . 1.36(4) ?
C92 H92 . 0.95 ?
C93 C94 . 1.30(3) ?
C93 H93 . 0.95 ?
C94 H94 . 0.95 ?
C95 C100 . 1.36(3) ?
C95 C96 . 1.41(3) ?
C96 C97 . 1.40(3) ?
C96 H96 . 0.95 ?
C97 C98 . 1.42(3) ?
C97 H97 . 0.95 ?
C98 C99 . 1.35(4) ?
C98 H98 . 0.95 ?
C99 C100 . 1.34(3) ?
C99 H99 . 0.95 ?
C100 H100 . 0.95 ?
C101 C102 . 1.39(2) ?
C101 C106 . 1.43(3) ?
C102 C103 . 1.37(3) ?
C102 H102 . 0.95 ?
C103 C104 . 1.39(3) ?
C103 H103 . 0.95 ?
C104 C105 . 1.32(3) ?
C104 H104 . 0.95 ?
C105 C106 . 1.41(3) ?
C105 H105 . 0.95 ?
C106 H106 . 0.95 ?
C107 C112 . 1.38(3) ?
C107 C108 . 1.38(3) ?
C108 C109 . 1.37(3) ?
C108 H108 . 0.95 ?
C109 C110 . 1.35(3) ?
C109 H109 . 0.95 ?
C110 C111 . 1.33(4) ?
C110 H110 . 0.95 ?
C111 C112 . 1.36(3) ?
C111 H111 . 0.95 ?
C112 H112 . 0.95 ?
C113 C114 . 1.38(3) ?
C113 C118 . 1.40(3) ?
C114 C115 . 1.39(3) ?
C114 H114 . 0.95 ?
C115 C116 . 1.37(3) ?
C115 H115 . 0.95 ?
C116 C117 . 1.40(3) ?
C116 H116 . 0.95 ?
C117 C118 . 1.32(3) ?
C117 H117 . 0.95 ?
C118 H118 . 0.95 ?
C119 C120 . 1.37(3) ?
C119 C124 . 1.45(3) ?
C120 C121 . 1.51(3) ?
C120 H120 . 0.95 ?
C121 C122 . 1.30(4) ?
C121 H121 . 0.95 ?
C122 C123 . 1.38(4) ?
C122 H122 . 0.95 ?
C123 C124 . 1.41(3) ?
C123 H123 . 0.95 ?
C124 H124 . 0.95 ?
C125 C130 . 1.38(2) ?
C125 C126 . 1.44(3) ?
C126 C127 . 1.33(3) ?
C126 H126 . 0.95 ?
C127 C128 . 1.34(3) ?
C127 H127 . 0.95 ?
C128 C129 . 1.40(4) ?
C128 H128 . 0.95 ?
C129 C130 . 1.36(3) ?
C129 H129 . 0.95 ?
C130 H130 . 0.95 ?
P6 F1 3_565 1.50(2) ?
P6 F1 . 1.50(2) ?
P6 F1 2_665 1.50(2) ?
P6 F2 3_565 1.59(3) ?
P6 F2 . 1.59(3) ?
P6 F2 2_665 1.59(3) ?
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 0.333 -0.333 0.138 2233 896 ' '
2 1.000 0.000 0.471 2236 895 ' '
3 0.667 0.333 0.805 2251 896 ' '
4 0.773 0.159 0.971 7 0 ' '
5 0.386 0.227 0.971 7 1 ' '
6 0.174 0.280 0.638 7 1 ' '
7 0.439 0.492 0.304 7 1 ' '
8 0.053 0.561 0.304 7 1 ' '
9 0.841 0.614 0.971 7 0 ' '
10 0.106 0.826 0.638 6 0 ' '
11 0.720 0.894 0.638 7 1 ' '
12 0.508 0.947 0.304 7 1 ' '
