#------------------------------------------------------------------------------
#$Date: 2025-08-22 23:12:46 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301866 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/45/7234579.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_7234579
loop_
_publ_author_name
'Liang-Jin Xu'
'Xu Zhang'
'Jin-Yun Wang'
'Zhong-Ning Chen'
_publ_section_title
;
 High-efficiency solution-processed OLEDs based on cationic Ag6Cu
 heteroheptanuclear cluster complexes with aromatic acetylides
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1787
_journal_page_last               1794
_journal_paper_doi               10.1039/C5TC03886C
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C152 H143 Ag6 Cl13 Cu O10 P9'
_chemical_formula_weight         3580.00
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 98.140(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.5098(6)
_cell_length_b                   29.3221(7)
_cell_length_c                   29.4471(9)
_cell_measurement_reflns_used    42648
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5982
_cell_measurement_theta_min      2.0069
_cell_volume                     14966.5(8)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1167
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            94669
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.294
_exptl_absorpt_correction_T_max  0.843
_exptl_absorpt_correction_T_min  0.497
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             7208
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         4.473
_refine_diff_density_min         -3.393
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1748
_refine_ls_number_reflns         25203
_refine_ls_number_restraints     97
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0884
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1152P)²+130.5800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2260
_refine_ls_wR_factor_ref         0.2343
_reflns_number_gt                22813
_reflns_number_total             25203
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-1787.cif
_cod_data_source_block           1_6CH2Cl2
_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 built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7234579
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.30064(3) 0.728894(19) 0.37965(2) 0.03128(15) Uani 1 1 d . . .
Ag2 Ag 0.42325(3) 0.78957(2) 0.45434(2) 0.03837(17) Uani 1 1 d . . .
Ag3 Ag 0.24801(4) 0.83563(2) 0.41647(3) 0.0550(2) Uani 1 1 d . . .
Ag4 Ag 0.34070(3) 0.745340(19) 0.557376(19) 0.02843(15) Uani 1 1 d . . .
Ag5 Ag 0.26352(4) 0.66485(2) 0.48163(2) 0.03718(17) Uani 1 1 d . . .
Ag6 Ag 0.15205(3) 0.770172(18) 0.496158(19) 0.02803(15) Uani 1 1 d . . .
Cu1 Cu 0.28591(5) 0.75759(3) 0.46362(3) 0.0252(2) Uani 1 1 d . . .
P1 P 0.36924(10) 0.76936(7) 0.32669(7) 0.0280(4) Uani 1 1 d . . .
P2 P 0.45348(12) 0.83671(7) 0.39238(8) 0.0352(5) Uani 1 1 d . . .
P3 P 0.29321(13) 0.85926(8) 0.34603(10) 0.0477(6) Uani 1 1 d . . .
P4 P 0.25266(10) 0.72436(6) 0.61018(6) 0.0256(4) Uani 1 1 d . . .
P5 P 0.22743(11) 0.63927(6) 0.55288(7) 0.0311(4) Uani 1 1 d . . .
P6 P 0.10514(10) 0.71337(6) 0.54392(7) 0.0291(4) Uani 1 1 d . . .
P7 P 0.53306(11) 0.75996(8) 0.55591(8) 0.0350(4) Uani 1 1 d . . .
P8 P 0.10714(12) 0.88168(6) 0.46812(7) 0.0318(4) Uani 1 1 d . . .
P9 P 0.24190(12) 0.61657(7) 0.37308(8) 0.0369(5) Uani 1 1 d . . .
O1 O 0.5259(3) 0.7789(2) 0.5085(2) 0.0460(15) Uani 1 1 d . . .
O01 O 0.6052(7) 0.9067(4) 0.2412(4) 0.109(4) Uani 1 1 d . . .
O2 O 0.4685(3) 0.7318(2) 0.5712(2) 0.0419(14) Uani 1 1 d . . .
O02 O 0.4767(6) 0.8830(5) 0.2370(4) 0.113(4) Uani 1 1 d . . .
O3 O 0.1777(3) 0.88956(18) 0.4460(2) 0.0377(13) Uani 1 1 d . . .
O03 O 0.5293(6) 0.8947(3) 0.1700(3) 0.082(3) Uani 1 1 d . . .
O4 O 0.1036(4) 0.83968(19) 0.4974(2) 0.0490(16) Uani 1 1 d . . .
O04 O 0.5696(5) 0.8347(3) 0.2197(3) 0.073(2) Uani 1 1 d . . .
O5 O 0.2453(3) 0.66228(17) 0.3511(2) 0.0361(12) Uani 1 1 d . . .
O6 O 0.2382(4) 0.6136(2) 0.4230(2) 0.0476(15) Uani 1 1 d . . .
Cl1 Cl 0.54440(16) 0.88139(9) 0.21653(9) 0.0587(6) Uani 1 1 d . . .
Cl01 Cl 0.8758(3) 0.7640(2) 0.4565(2) 0.143(2) Uani 1 1 d . . .
Cl02 Cl 0.7824(2) 0.68726(16) 0.42011(17) 0.1034(12) Uani 1 1 d . . .
Cl03 Cl 0.6801(3) 0.5545(2) 0.3179(3) 0.173(3) Uani 1 1 d . . .
Cl04 Cl 0.8058(3) 0.4912(2) 0.30921(15) 0.1193(16) Uani 1 1 d . . .
Cl05 Cl 0.7822(3) 0.5625(3) 0.6712(2) 0.163(3) Uani 1 1 d . . .
Cl06 Cl 0.8633(2) 0.5603(2) 0.59510(13) 0.1199(18) Uani 1 1 d . . .
Cl07 Cl 0.3256(4) 0.0592(2) 0.4963(2) 0.157(3) Uani 1 1 d . . .
Cl08 Cl 0.2318(4) 0.1415(2) 0.4917(2) 0.1354(18) Uani 1 1 d . . .
Cl09 Cl -0.0337(9) 0.0202(6) 0.2812(5) 0.338(9) Uani 1 1 d . . .
Cl10 Cl 0.0770(8) -0.0477(5) 0.2644(5) 0.299(7) Uani 1 1 d . . .
Cl11 Cl 0.0563(16) 0.1347(11) 0.2742(10) 0.465(14) Uani 0.813(10) 1 d PDU A 1
Cl12 Cl 0.1688(16) 0.1148(11) 0.3545(10) 0.462(14) Uani 0.813(10) 1 d PDU A 1
Cl13 Cl 0.1235(10) 0.0783(6) 0.3959(7) 0.084(6) Uani 0.187(10) 1 d PDU A 2
Cl14 Cl 0.175(2) 0.0552(9) 0.3074(10) 0.198(14) Uani 0.187(10) 1 d PDU A 2
C1 C 0.3864(4) 0.8317(3) 0.3369(3) 0.0372(18) Uani 1 1 d . . .
H1A H 0.4083 0.8460 0.3115 0.045 Uiso 1 1 calc R . .
C01 C 0.8705(13) 0.7118(8) 0.4374(11) 0.163(10) Uani 1 1 d . . .
H01B H 0.8975 0.6926 0.4612 0.196 Uiso 1 1 calc R . .
H01C H 0.8993 0.7105 0.4116 0.196 Uiso 1 1 calc R . .
C2 C 0.4636(4) 0.7434(3) 0.3241(3) 0.0281(15) Uani 1 1 d . . .
C02 C 0.7680(11) 0.5291(7) 0.3465(7) 0.121(7) Uani 1 1 d . . .
H02B H 0.8055 0.5528 0.3561 0.145 Uiso 1 1 calc R . .
H02C H 0.7574 0.5129 0.3736 0.145 Uiso 1 1 calc R . .
C3 C 0.5095(4) 0.7568(3) 0.2924(3) 0.0343(17) Uani 1 1 d . . .
H3A H 0.4940 0.7806 0.2723 0.041 Uiso 1 1 calc R . .
C03 C 0.8635(10) 0.5680(14) 0.6535(7) 0.219(19) Uani 1 1 d . . .
H03B H 0.8991 0.5463 0.6698 0.263 Uiso 1 1 calc R . .
H03C H 0.8831 0.5983 0.6616 0.263 Uiso 1 1 calc R . .
C4 C 0.5798(4) 0.7346(3) 0.2901(3) 0.0365(18) Uani 1 1 d . . .
H4A H 0.6108 0.7435 0.2686 0.044 Uiso 1 1 calc R . .
C04 C 0.3033(13) 0.1067(7) 0.5222(7) 0.135(8) Uani 1 1 d . . .
H04B H 0.3499 0.1248 0.5294 0.162 Uiso 1 1 calc R . .
H04C H 0.2865 0.0984 0.5511 0.162 Uiso 1 1 calc R . .
C5 C 0.6029(5) 0.6992(3) 0.3201(3) 0.048(2) Uani 1 1 d . . .
H5A H 0.6498 0.6847 0.3190 0.058 Uiso 1 1 calc R . .
C05 C 0.0578(18) 0.0060(11) 0.2861(15) 0.26(2) Uani 1 1 d . . .
H05A H 0.0792 0.0069 0.3184 0.315 Uiso 1 1 calc R . .
H05B H 0.0846 0.0288 0.2705 0.315 Uiso 1 1 calc RD . .
C6 C 0.5565(5) 0.6856(3) 0.3516(3) 0.050(2) Uani 1 1 d . . .
H6A H 0.5714 0.6612 0.3711 0.060 Uiso 1 1 calc R . .
C06 C 0.1504(18) 0.1124(9) 0.2947(11) 0.269(10) Uani 0.813(10) 1 d PDU A 1
H06A H 0.1537 0.0811 0.2847 0.323 Uiso 0.813(10) 1 calc PR A 1
H06B H 0.1892 0.1300 0.2819 0.323 Uiso 0.813(10) 1 calc PR A 1
C7 C 0.4871(5) 0.7082(3) 0.3543(3) 0.0398(18) Uani 1 1 d . . .
H7A H 0.4567 0.6996 0.3764 0.048 Uiso 1 1 calc R . .
C07 C 0.087(6) 0.074(4) 0.3371(12) 0.13(2) Uani 0.187(10) 1 d PDU A 2
H07A H 0.0670 0.1029 0.3251 0.159 Uiso 0.187(10) 1 calc PR A 2
H07B H 0.0465 0.0513 0.3322 0.159 Uiso 0.187(10) 1 calc PR A 2
C8 C 0.3249(4) 0.7631(4) 0.2668(3) 0.048(2) Uani 1 1 d . . .
C9 C 0.3318(5) 0.7927(5) 0.2321(3) 0.062(3) Uani 1 1 d . . .
H9A H 0.3621 0.8186 0.2383 0.075 Uiso 1 1 calc R . .
C10 C 0.2961(6) 0.7857(6) 0.1887(4) 0.089(5) Uani 1 1 d . . .
H10J H 0.2993 0.8075 0.1661 0.106 Uiso 1 1 calc R . .
C11 C 0.2548(6) 0.7460(8) 0.1785(4) 0.109(7) Uani 1 1 d . . .
H11F H 0.2300 0.7409 0.1488 0.130 Uiso 1 1 calc R . .
C12 C 0.2505(7) 0.7138(7) 0.2123(4) 0.098(6) Uani 1 1 d . . .
H12M H 0.2244 0.6865 0.2053 0.117 Uiso 1 1 calc R . .
C13 C 0.2854(6) 0.7223(5) 0.2572(4) 0.068(3) Uani 1 1 d . . .
H13M H 0.2823 0.7010 0.2802 0.081 Uiso 1 1 calc R . .
C14 C 0.5507(4) 0.8285(3) 0.3788(3) 0.0380(18) Uani 1 1 d . . .
C15 C 0.5785(5) 0.8480(3) 0.3413(3) 0.042(2) Uani 1 1 d . . .
H15A H 0.5465 0.8659 0.3206 0.051 Uiso 1 1 calc R . .
C16 C 0.6551(5) 0.8403(3) 0.3352(4) 0.049(2) Uani 1 1 d . . .
H16A H 0.6738 0.8530 0.3100 0.059 Uiso 1 1 calc R . .
C17 C 0.7032(5) 0.8144(4) 0.3654(4) 0.059(3) Uani 1 1 d . . .
H17A H 0.7541 0.8094 0.3609 0.071 Uiso 1 1 calc R . .
C18 C 0.6755(5) 0.7960(4) 0.4024(4) 0.059(3) Uani 1 1 d . . .
H18A H 0.7079 0.7784 0.4232 0.071 Uiso 1 1 calc R . .
C19 C 0.5994(5) 0.8030(4) 0.4093(3) 0.049(2) Uani 1 1 d . . .
H19A H 0.5815 0.7904 0.4348 0.059 Uiso 1 1 calc R . .
C20 C 0.4536(6) 0.8967(3) 0.4108(4) 0.051(2) Uani 1 1 d . . .
C21 C 0.4237(7) 0.9069(4) 0.4498(4) 0.067(3) Uani 1 1 d . . .
H21A H 0.4036 0.8839 0.4664 0.081 Uiso 1 1 calc R . .
C22 C 0.4234(9) 0.9526(4) 0.4651(5) 0.092(5) Uani 1 1 d . . .
H22A H 0.4005 0.9598 0.4908 0.111 Uiso 1 1 calc R . .
C23 C 0.4562(9) 0.9862(4) 0.4425(6) 0.093(5) Uani 1 1 d . . .
H23A H 0.4586 1.0158 0.4540 0.112 Uiso 1 1 calc R . .
C24 C 0.4856(7) 0.9765(3) 0.4029(5) 0.073(4) Uani 1 1 d . . .
H24A H 0.5054 0.9997 0.3864 0.088 Uiso 1 1 calc R . .
C25 C 0.4856(6) 0.9321(3) 0.3875(4) 0.058(3) Uani 1 1 d . . .
H25A H 0.5072 0.9255 0.3612 0.070 Uiso 1 1 calc R . .
C26 C 0.3064(6) 0.9204(4) 0.3383(5) 0.069(3) Uani 1 1 d . . .
C27 C 0.3443(7) 0.9385(4) 0.3034(5) 0.077(4) Uani 1 1 d . . .
H27A H 0.3713 0.9192 0.2863 0.092 Uiso 1 1 calc R . .
C28 C 0.3420(9) 0.9839(5) 0.2945(6) 0.098(5) Uani 1 1 d . . .
H28A H 0.3654 0.9958 0.2707 0.118 Uiso 1 1 calc R . .
C29 C 0.3027(11) 1.0128(5) 0.3226(8) 0.122(7) Uani 1 1 d . . .
H29A H 0.3017 1.0441 0.3173 0.146 Uiso 1 1 calc R . .
C30 C 0.2673(8) 0.9958(4) 0.3564(7) 0.098(5) Uani 1 1 d . . .
H30A H 0.2414 1.0154 0.3737 0.117 Uiso 1 1 calc R . .
C31 C 0.2686(7) 0.9493(4) 0.3662(6) 0.087(5) Uani 1 1 d . . .
H31A H 0.2453 0.9377 0.3902 0.104 Uiso 1 1 calc R . .
C32 C 0.2209(5) 0.8465(4) 0.2967(5) 0.067(3) Uani 1 1 d . . .
C33 C 0.1769(5) 0.8055(4) 0.2962(4) 0.067(3) Uani 1 1 d . . .
H33A H 0.1838 0.7865 0.3218 0.080 Uiso 1 1 calc R . .
C34 C 0.1232(6) 0.7931(5) 0.2579(4) 0.072(3) Uani 1 1 d . . .
H34A H 0.0966 0.7656 0.2574 0.086 Uiso 1 1 calc R . .
C35 C 0.1110(6) 0.8221(7) 0.2217(5) 0.111(7) Uani 1 1 d . . .
H35A H 0.0732 0.8155 0.1971 0.133 Uiso 1 1 calc R . .
C36 C 0.1533(7) 0.8603(6) 0.2212(6) 0.094(5) Uani 1 1 d . . .
H36A H 0.1450 0.8794 0.1958 0.113 Uiso 1 1 calc R . .
C37 C 0.2083(6) 0.8717(5) 0.2572(5) 0.078(4) Uani 1 1 d . . .
H37A H 0.2382 0.8976 0.2548 0.094 Uiso 1 1 calc R . .
C38 C 0.1779(4) 0.6826(2) 0.5851(3) 0.0284(15) Uani 1 1 d . . .
H38A H 0.1534 0.6680 0.6093 0.034 Uiso 1 1 calc R . .
C39 C 0.2008(4) 0.7737(3) 0.6293(3) 0.0283(15) Uani 1 1 d . . .
C40 C 0.1575(5) 0.7725(3) 0.6654(3) 0.0369(18) Uani 1 1 d . . .
H40A H 0.1516 0.7451 0.6805 0.044 Uiso 1 1 calc R . .
C41 C 0.1230(5) 0.8117(3) 0.6792(3) 0.044(2) Uani 1 1 d . . .
H41A H 0.0937 0.8105 0.7032 0.053 Uiso 1 1 calc R . .
C42 C 0.1324(5) 0.8528(3) 0.6572(3) 0.044(2) Uani 1 1 d . . .
H42A H 0.1097 0.8793 0.6664 0.053 Uiso 1 1 calc R . .
C43 C 0.1756(5) 0.8541(3) 0.6215(3) 0.0395(18) Uani 1 1 d . . .
H43A H 0.1829 0.8817 0.6071 0.047 Uiso 1 1 calc R . .
C44 C 0.2082(4) 0.8149(3) 0.6069(3) 0.0320(16) Uani 1 1 d . . .
H44A H 0.2354 0.8160 0.5820 0.038 Uiso 1 1 calc R . .
C45 C 0.2947(4) 0.6976(3) 0.6639(3) 0.0357(17) Uani 1 1 d . . .
C46 C 0.2523(5) 0.6728(3) 0.6918(3) 0.044(2) Uani 1 1 d . . .
H46A H 0.1997 0.6684 0.6830 0.053 Uiso 1 1 calc R . .
C47 C 0.2880(6) 0.6547(4) 0.7325(3) 0.064(3) Uani 1 1 d . . .
H47A H 0.2589 0.6387 0.7513 0.077 Uiso 1 1 calc R . .
C48 C 0.3654(7) 0.6600(6) 0.7458(4) 0.102(6) Uani 1 1 d . . .
H48A H 0.3891 0.6483 0.7736 0.122 Uiso 1 1 calc R . .
C49 C 0.4070(6) 0.6831(7) 0.7171(4) 0.092(5) Uani 1 1 d . . .
H49A H 0.4600 0.6861 0.7255 0.111 Uiso 1 1 calc R . .
C50 C 0.3732(5) 0.7017(4) 0.6765(3) 0.058(3) Uani 1 1 d . . .
H50A H 0.4030 0.7169 0.6576 0.070 Uiso 1 1 calc R . .
C51 C 0.3131(5) 0.6191(3) 0.5895(3) 0.0347(17) Uani 1 1 d . . .
C52 C 0.3096(5) 0.5933(3) 0.6289(3) 0.0421(19) Uani 1 1 d . . .
H52A H 0.2621 0.5875 0.6384 0.051 Uiso 1 1 calc R . .
C53 C 0.3769(6) 0.5760(3) 0.6544(4) 0.055(3) Uani 1 1 d . . .
H53A H 0.3741 0.5595 0.6811 0.066 Uiso 1 1 calc R . .
C54 C 0.4469(6) 0.5833(3) 0.6399(4) 0.064(3) Uani 1 1 d . . .
H54A H 0.4915 0.5711 0.6564 0.077 Uiso 1 1 calc R . .
C55 C 0.4512(5) 0.6085(3) 0.6015(4) 0.055(3) Uani 1 1 d . . .
H55A H 0.4988 0.6135 0.5919 0.066 Uiso 1 1 calc R . .
C56 C 0.3847(5) 0.6268(3) 0.5764(3) 0.0399(19) Uani 1 1 d . . .
H56A H 0.3886 0.6443 0.5505 0.048 Uiso 1 1 calc R . .
C57 C 0.1641(4) 0.5896(2) 0.5500(3) 0.0358(18) Uani 1 1 d . . .
C58 C 0.1246(5) 0.5773(3) 0.5858(3) 0.0393(19) Uani 1 1 d . . .
H58A H 0.1285 0.5953 0.6121 0.047 Uiso 1 1 calc R . .
C59 C 0.0791(5) 0.5382(3) 0.5826(4) 0.046(2) Uani 1 1 d . . .
H59A H 0.0528 0.5298 0.6066 0.055 Uiso 1 1 calc R . .
C60 C 0.0734(5) 0.5119(3) 0.5431(4) 0.050(3) Uani 1 1 d . . .
H60A H 0.0428 0.4858 0.5405 0.060 Uiso 1 1 calc R . .
C61 C 0.1129(5) 0.5241(3) 0.5077(4) 0.046(2) Uani 1 1 d . . .
H61A H 0.1094 0.5058 0.4817 0.056 Uiso 1 1 calc R . .
C62 C 0.1578(4) 0.5634(3) 0.5102(3) 0.0362(18) Uani 1 1 d . . .
H62A H 0.1831 0.5720 0.4859 0.043 Uiso 1 1 calc R . .
C63 C 0.0503(5) 0.6699(3) 0.5081(3) 0.044(2) Uani 1 1 d . . .
C64 C -0.0066(5) 0.6421(3) 0.5254(4) 0.058(3) Uani 1 1 d . . .
H64A H -0.0144 0.6436 0.5559 0.070 Uiso 1 1 calc R . .
C65 C -0.0503(7) 0.6124(3) 0.4939(5) 0.079(4) Uani 1 1 d . . .
H65A H -0.0855 0.5926 0.5045 0.094 Uiso 1 1 calc R . .
C66 C -0.0426(10) 0.6118(4) 0.4502(5) 0.116(7) Uani 1 1 d . . .
H66A H -0.0753 0.5934 0.4303 0.139 Uiso 1 1 calc R . .
C67 C 0.0131(10) 0.6379(4) 0.4329(5) 0.103(6) Uani 1 1 d . . .
H67A H 0.0206 0.6356 0.4024 0.123 Uiso 1 1 calc R . .
C68 C 0.0577(7) 0.6678(3) 0.4634(4) 0.065(3) Uani 1 1 d . . .
H68A H 0.0934 0.6866 0.4521 0.078 Uiso 1 1 calc R . .
C69 C 0.0368(4) 0.7355(3) 0.5791(3) 0.0364(18) Uani 1 1 d . . .
C70 C 0.0129(5) 0.7121(3) 0.6162(4) 0.048(2) Uani 1 1 d . . .
H70A H 0.0332 0.6835 0.6243 0.057 Uiso 1 1 calc R . .
C71 C -0.0395(6) 0.7309(4) 0.6402(4) 0.064(3) Uani 1 1 d . . .
H71A H -0.0556 0.7147 0.6642 0.077 Uiso 1 1 calc R . .
C72 C -0.0694(7) 0.7738(4) 0.6295(5) 0.072(3) Uani 1 1 d . . .
H72A H -0.1039 0.7868 0.6471 0.086 Uiso 1 1 calc R . .
C73 C -0.0476(6) 0.7979(4) 0.5920(4) 0.058(3) Uani 1 1 d . . .
H73A H -0.0692 0.8262 0.5836 0.069 Uiso 1 1 calc R . .
C74 C 0.0064(5) 0.7788(3) 0.5678(4) 0.045(2) Uani 1 1 d . . .
H74A H 0.0227 0.7949 0.5437 0.055 Uiso 1 1 calc R . .
C75 C 0.5530(4) 0.8069(3) 0.5965(3) 0.0411(19) Uani 1 1 d . . .
C76 C 0.5484(4) 0.8005(3) 0.6425(3) 0.0413(19) Uani 1 1 d . . .
H76A H 0.5356 0.7720 0.6532 0.050 Uiso 1 1 calc R . .
C77 C 0.5633(5) 0.8375(4) 0.6729(4) 0.055(3) Uani 1 1 d . . .
H77A H 0.5602 0.8333 0.7039 0.066 Uiso 1 1 calc R . .
C78 C 0.5820(8) 0.8793(5) 0.6580(5) 0.081(4) Uani 1 1 d . . .
H78A H 0.5904 0.9035 0.6785 0.098 Uiso 1 1 calc R . .
C79 C 0.5884(11) 0.8858(4) 0.6123(6) 0.107(6) Uani 1 1 d . . .
H79A H 0.6029 0.9140 0.6020 0.129 Uiso 1 1 calc R . .
C80 C 0.5731(8) 0.8495(4) 0.5816(5) 0.076(4) Uani 1 1 d . . .
H80A H 0.5763 0.8540 0.5507 0.091 Uiso 1 1 calc R . .
C81 C 0.6201(5) 0.7257(3) 0.5639(3) 0.040(2) Uani 1 1 d . . .
C82 C 0.6235(6) 0.6846(3) 0.5867(4) 0.055(3) Uani 1 1 d . . .
H82A H 0.5821 0.6739 0.6002 0.065 Uiso 1 1 calc R . .
C83 C 0.6929(8) 0.6593(4) 0.5887(4) 0.070(4) Uani 1 1 d . . .
H83A H 0.6955 0.6314 0.6038 0.085 Uiso 1 1 calc R . .
C84 C 0.7524(7) 0.6721(5) 0.5711(4) 0.088(5) Uani 1 1 d . . .
H84A H 0.7961 0.6538 0.5733 0.105 Uiso 1 1 calc R . .
C85 C 0.7503(6) 0.7140(6) 0.5489(4) 0.080(4) Uani 1 1 d . . .
H85A H 0.7933 0.7242 0.5367 0.096 Uiso 1 1 calc R . .
C86 C 0.6841(5) 0.7405(4) 0.5449(3) 0.052(2) Uani 1 1 d . . .
H86A H 0.6825 0.7683 0.5296 0.062 Uiso 1 1 calc R . .
C87 C 0.0227(4) 0.8839(3) 0.4254(3) 0.0374(19) Uani 1 1 d . . .
C88 C -0.0483(5) 0.8703(4) 0.4367(4) 0.055(3) Uani 1 1 d . . .
H88A H -0.0509 0.8588 0.4659 0.066 Uiso 1 1 calc R . .
C89 C -0.1135(6) 0.8733(5) 0.4064(5) 0.086(5) Uani 1 1 d . . .
H89A H -0.1604 0.8641 0.4147 0.103 Uiso 1 1 calc R . .
C90 C -0.1101(6) 0.8899(4) 0.3633(5) 0.076(4) Uani 1 1 d . . .
H90A H -0.1555 0.8923 0.3428 0.091 Uiso 1 1 calc R . .
C91 C -0.0399(8) 0.9033(5) 0.3489(5) 0.079(4) Uani 1 1 d . . .
H91A H -0.0376 0.9139 0.3194 0.095 Uiso 1 1 calc R . .
C92 C 0.0270(6) 0.8997(3) 0.3820(4) 0.049(2) Uani 1 1 d . . .
H92A H 0.0746 0.9083 0.3742 0.059 Uiso 1 1 calc R . .
C93 C 0.0939(5) 0.9306(3) 0.5044(3) 0.044(2) Uani 1 1 d . . .
C94 C 0.0622(6) 0.9240(4) 0.5438(3) 0.056(3) Uani 1 1 d . . .
H94A H 0.0471 0.8950 0.5518 0.068 Uiso 1 1 calc R . .
C95 C 0.0529(7) 0.9620(5) 0.5722(4) 0.080(4) Uani 1 1 d . . .
H95A H 0.0327 0.9576 0.5994 0.096 Uiso 1 1 calc R . .
C96 C 0.0727(7) 1.0044(5) 0.5605(5) 0.085(5) Uani 1 1 d . . .
H96A H 0.0646 1.0292 0.5789 0.101 Uiso 1 1 calc R . .
C97 C 0.1052(7) 1.0108(4) 0.5207(5) 0.085(5) Uani 1 1 d . . .
H97A H 0.1197 1.0398 0.5125 0.101 Uiso 1 1 calc R . .
C98 C 0.1162(5) 0.9735(3) 0.4932(4) 0.053(3) Uani 1 1 d . . .
H98A H 0.1389 0.9777 0.4669 0.064 Uiso 1 1 calc R . .
C99 C 0.3238(6) 0.5836(3) 0.3603(4) 0.054(2) Uani 1 1 d . . .
C100 C 0.3336(8) 0.5391(5) 0.3739(5) 0.082(4) Uani 1 1 d . . .
H10C H 0.2956 0.5250 0.3881 0.099 Uiso 1 1 calc R . .
C101 C 0.3995(10) 0.5140(5) 0.3670(6) 0.100(5) Uani 1 1 d . . .
H10F H 0.4066 0.4843 0.3780 0.121 Uiso 1 1 calc R . .
C102 C 0.4541(9) 0.5342(5) 0.3433(8) 0.123(7) Uani 1 1 d . . .
H10G H 0.4966 0.5177 0.3370 0.148 Uiso 1 1 calc R . .
C103 C 0.4445(8) 0.5788(5) 0.3295(8) 0.119(7) Uani 1 1 d . . .
H10E H 0.4818 0.5929 0.3148 0.143 Uiso 1 1 calc R . .
C104 C 0.3798(7) 0.6030(4) 0.3372(6) 0.093(5) Uani 1 1 d . . .
H10D H 0.3736 0.6329 0.3268 0.111 Uiso 1 1 calc R . .
C105 C 0.1573(5) 0.5874(3) 0.3446(3) 0.0415(18) Uani 1 1 d U . .
C106 C 0.1096(9) 0.5646(6) 0.3697(4) 0.105(6) Uani 1 1 d U . .
H10I H 0.1226 0.5630 0.4014 0.125 Uiso 1 1 calc R . .
C107 C 0.0421(11) 0.5436(7) 0.3492(5) 0.130(7) Uani 1 1 d U . .
H10H H 0.0112 0.5280 0.3671 0.157 Uiso 1 1 calc R . .
C108 C 0.0211(7) 0.5458(4) 0.3024(4) 0.071(3) Uani 1 1 d U . .
H10B H -0.0240 0.5317 0.2888 0.085 Uiso 1 1 calc R . .
C109 C 0.0665(5) 0.5687(3) 0.2762(3) 0.047(2) Uani 1 1 d U . .
H10A H 0.0530 0.5703 0.2446 0.057 Uiso 1 1 calc R . .
C110 C 0.1338(5) 0.5898(3) 0.2975(3) 0.0439(18) Uani 1 1 d U . .
H11E H 0.1640 0.6060 0.2795 0.053 Uiso 1 1 calc R . .
C111 C 0.3229(4) 0.8080(2) 0.5037(2) 0.0260(14) Uani 1 1 d . . .
C112 C 0.3336(4) 0.8411(2) 0.5302(2) 0.0253(14) Uani 1 1 d . . .
C113 C 0.3377(4) 0.8799(2) 0.5600(2) 0.0281(15) Uani 1 1 d . . .
C114 C 0.3789(4) 0.8784(3) 0.6037(3) 0.0340(16) Uani 1 1 d . . .
H11D H 0.4105 0.8535 0.6125 0.041 Uiso 1 1 calc R . .
C115 C 0.3733(4) 0.9138(3) 0.6343(3) 0.0338(17) Uani 1 1 d . . .
H11B H 0.4009 0.9121 0.6637 0.041 Uiso 1 1 calc R . .
C116 C 0.3281(4) 0.9514(2) 0.6223(3) 0.0288(15) Uani 1 1 d . . .
C117 C 0.2891(4) 0.9537(3) 0.5774(3) 0.0349(17) Uani 1 1 d . . .
H11A H 0.2602 0.9795 0.5681 0.042 Uiso 1 1 calc R . .
C118 C 0.2927(4) 0.9184(2) 0.5466(2) 0.0297(15) Uani 1 1 d . . .
H11C H 0.2654 0.9203 0.5172 0.036 Uiso 1 1 calc R . .
C119 C 0.3148(5) 0.9881(3) 0.6581(3) 0.0356(17) Uani 1 1 d . . .
C120 C 0.2432(6) 0.9756(4) 0.6778(4) 0.055(3) Uani 1 1 d . . .
H12D H 0.2339 0.9978 0.7003 0.083 Uiso 1 1 calc R . .
H12E H 0.2499 0.9461 0.6920 0.083 Uiso 1 1 calc R . .
H12F H 0.2001 0.9747 0.6537 0.083 Uiso 1 1 calc R . .
C121 C 0.3834(6) 0.9908(4) 0.6957(4) 0.057(3) Uani 1 1 d . . .
H12J H 0.3738 1.0136 0.7177 0.085 Uiso 1 1 calc R . .
H12K H 0.4287 0.9988 0.6826 0.085 Uiso 1 1 calc R . .
H12L H 0.3909 0.9618 0.7108 0.085 Uiso 1 1 calc R . .
C122 C 0.3027(6) 1.0346(3) 0.6361(4) 0.056(3) Uani 1 1 d . . .
H12G H 0.2946 1.0567 0.6590 0.084 Uiso 1 1 calc R . .
H12H H 0.2585 1.0338 0.6128 0.084 Uiso 1 1 calc R . .
H12I H 0.3475 1.0429 0.6226 0.084 Uiso 1 1 calc R . .
C123 C 0.1879(4) 0.7600(3) 0.4224(3) 0.0292(15) Uani 1 1 d . . .
C124 C 0.1291(4) 0.7538(2) 0.3952(2) 0.0254(14) Uani 1 1 d . . .
C125 C 0.0622(4) 0.7402(3) 0.3635(3) 0.0306(16) Uani 1 1 d . . .
C126 C -0.0067(5) 0.7643(3) 0.3595(4) 0.049(2) Uani 1 1 d . . .
H12C H -0.0095 0.7912 0.3760 0.059 Uiso 1 1 calc R . .
C127 C -0.0712(5) 0.7488(4) 0.3313(4) 0.066(3) Uani 1 1 d . . .
H12B H -0.1166 0.7655 0.3290 0.080 Uiso 1 1 calc R . .
C128 C -0.0700(4) 0.7085(3) 0.3060(3) 0.0377(18) Uani 1 1 d . . .
C129 C -0.0002(4) 0.6862(3) 0.3088(3) 0.0332(17) Uani 1 1 d . . .
H12A H 0.0033 0.6597 0.2919 0.040 Uiso 1 1 calc R . .
C130 C 0.0652(4) 0.7023(3) 0.3364(3) 0.0390(19) Uani 1 1 d . . .
H13A H 0.1119 0.6871 0.3366 0.047 Uiso 1 1 calc R . .
C131 C -0.1416(5) 0.6881(4) 0.2775(3) 0.049(2) Uani 1 1 d . . .
C132 C -0.1599(7) 0.6432(4) 0.3002(5) 0.084(4) Uani 1 1 d . . .
H13J H -0.1694 0.6490 0.3310 0.126 Uiso 1 1 calc R . .
H13K H -0.1169 0.6227 0.3009 0.126 Uiso 1 1 calc R . .
H13L H -0.2048 0.6296 0.2831 0.126 Uiso 1 1 calc R . .
C133 C -0.2116(5) 0.7189(4) 0.2745(4) 0.065(3) Uani 1 1 d . . .
H13D H -0.2010 0.7471 0.2600 0.098 Uiso 1 1 calc R . .
H13E H -0.2232 0.7250 0.3049 0.098 Uiso 1 1 calc R . .
H13F H -0.2549 0.7042 0.2569 0.098 Uiso 1 1 calc R . .
C134 C -0.1269(6) 0.6793(5) 0.2285(4) 0.071(4) Uani 1 1 d . . .
H13G H -0.1166 0.7077 0.2143 0.107 Uiso 1 1 calc R . .
H13H H -0.1716 0.6653 0.2115 0.107 Uiso 1 1 calc R . .
H13I H -0.0833 0.6594 0.2289 0.107 Uiso 1 1 calc R . .
C135 C 0.3597(4) 0.7076(2) 0.4580(3) 0.0303(16) Uani 1 1 d . . .
C136 C 0.4111(4) 0.6792(3) 0.4602(3) 0.0333(16) Uani 1 1 d . . .
C137 C 0.4729(4) 0.6465(2) 0.4647(3) 0.0285(15) Uani 1 1 d . . .
C138 C 0.4575(5) 0.6005(3) 0.4652(4) 0.050(2) Uani 1 1 d . . .
H13B H 0.4068 0.5905 0.4635 0.061 Uiso 1 1 calc R . .
C139 C 0.5175(5) 0.5688(3) 0.4683(4) 0.058(3) Uani 1 1 d . . .
H13C H 0.5061 0.5378 0.4685 0.070 Uiso 1 1 calc R . .
C140 C 0.5939(5) 0.5826(3) 0.4710(4) 0.043(2) Uani 1 1 d . . .
C141 C 0.6087(4) 0.6297(3) 0.4712(3) 0.0316(16) Uani 1 1 d . . .
H14A H 0.6592 0.6400 0.4729 0.038 Uiso 1 1 calc R . .
C142 C 0.5487(4) 0.6609(2) 0.4688(3) 0.0318(16) Uani 1 1 d . . .
H14B H 0.5596 0.6920 0.4700 0.038 Uiso 1 1 calc R . .
C143 C 0.6590(5) 0.5478(3) 0.4747(4) 0.055(3) Uani 1 1 d . . .
C144 C 0.6401(7) 0.5095(4) 0.4417(6) 0.094(5) Uani 1 1 d . . .
H14F H 0.6343 0.5210 0.4109 0.141 Uiso 1 1 calc R . .
H14G H 0.5929 0.4953 0.4473 0.141 Uiso 1 1 calc R . .
H14H H 0.6811 0.4874 0.4458 0.141 Uiso 1 1 calc R . .
C145 C 0.6672(7) 0.5263(4) 0.5242(5) 0.072(3) Uani 1 1 d . . .
H14I H 0.7079 0.5041 0.5274 0.108 Uiso 1 1 calc R . .
H14J H 0.6196 0.5119 0.5286 0.108 Uiso 1 1 calc R . .
H14K H 0.6792 0.5499 0.5467 0.108 Uiso 1 1 calc R . .
C146 C 0.7350(5) 0.5691(4) 0.4708(6) 0.076(4) Uani 1 1 d . . .
H14C H 0.7335 0.5826 0.4409 0.114 Uiso 1 1 calc R . .
H14D H 0.7746 0.5462 0.4750 0.114 Uiso 1 1 calc R . .
H14E H 0.7460 0.5923 0.4938 0.114 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O5 Ag1 P1 113.95(16) . .
O5 Ag1 C135 103.1(2) . .
P1 Ag1 C135 123.18(18) . .
O5 Ag1 C123 99.4(2) . .
P1 Ag1 C123 127.62(17) . .
C135 Ag1 C123 83.4(2) . .
O5 Ag1 Cu1 121.39(15) . .
P1 Ag1 Cu1 124.65(5) . .
C135 Ag1 Cu1 45.16(16) . .
C123 Ag1 Cu1 43.32(17) . .
O5 Ag1 Ag2 153.10(14) . .
P1 Ag1 Ag2 80.33(5) . .
C135 Ag1 Ag2 51.56(17) . .
C123 Ag1 Ag2 87.52(17) . .
Cu1 Ag1 Ag2 50.24(2) . .
O1 Ag2 P2 112.17(17) . .
O1 Ag2 C111 100.1(2) . .
P2 Ag2 C111 124.48(16) . .
O1 Ag2 Cu1 121.84(16) . .
P2 Ag2 Cu1 125.85(6) . .
C111 Ag2 Cu1 44.49(16) . .
O1 Ag2 C135 98.2(2) . .
P2 Ag2 C135 133.51(18) . .
C111 Ag2 C135 80.7(2) . .
Cu1 Ag2 C135 43.90(15) . .
O1 Ag2 Ag1 139.78(18) . .
P2 Ag2 Ag1 89.80(5) . .
C111 Ag2 Ag1 93.35(16) . .
Cu1 Ag2 Ag1 50.96(2) . .
C135 Ag2 Ag1 46.75(17) . .
O3 Ag3 P3 113.09(16) . .
O3 Ag3 C123 109.9(2) . .
P3 Ag3 C123 120.72(19) . .
O3 Ag3 Cu1 120.16(15) . .
P3 Ag3 Cu1 126.44(6) . .
C123 Ag3 Cu1 44.14(17) . .
O2 Ag4 C111 106.6(2) . .
O2 Ag4 P4 123.12(16) . .
C111 Ag4 P4 125.39(17) . .
O2 Ag4 Cu1 113.04(17) . .
C111 Ag4 Cu1 42.80(17) . .
P4 Ag4 Cu1 120.22(5) . .
O6 Ag5 C135 101.7(3) . .
O6 Ag5 P5 114.15(17) . .
C135 Ag5 P5 137.3(2) . .
O6 Ag5 Cu1 120.75(16) . .
C135 Ag5 Cu1 44.21(17) . .
P5 Ag5 Cu1 121.98(5) . .
O4 Ag6 C123 106.5(2) . .
O4 Ag6 P6 117.82(17) . .
C123 Ag6 P6 127.53(19) . .
O4 Ag6 Cu1 119.33(17) . .
C123 Ag6 Cu1 45.17(18) . .
P6 Ag6 Cu1 120.23(5) . .
C111 Cu1 C123 122.4(3) . .
C111 Cu1 C135 116.7(3) . .
C123 Cu1 C135 120.1(3) . .
C111 Cu1 Ag2 64.0(2) . .
C123 Cu1 Ag2 131.0(2) . .
C135 Cu1 Ag2 68.8(2) . .
C111 Cu1 Ag1 137.5(2) . .
C123 Cu1 Ag1 68.1(2) . .
C135 Cu1 Ag1 62.4(2) . .
Ag2 Cu1 Ag1 78.80(3) . .
C111 Cu1 Ag6 84.9(2) . .
C123 Cu1 Ag6 58.8(2) . .
C135 Cu1 Ag6 138.3(2) . .
Ag2 Cu1 Ag6 147.82(4) . .
Ag1 Cu1 Ag6 125.51(4) . .
C111 Cu1 Ag3 72.9(2) . .
C123 Cu1 Ag3 61.4(2) . .
C135 Cu1 Ag3 134.4(2) . .
Ag2 Cu1 Ag3 78.87(3) . .
Ag1 Cu1 Ag3 80.77(3) . .
Ag6 Cu1 Ag3 84.48(3) . .
C111 Cu1 Ag5 131.7(2) . .
C123 Cu1 Ag5 91.1(2) . .
C135 Cu1 Ag5 53.7(2) . .
Ag2 Cu1 Ag5 121.25(4) . .
Ag1 Cu1 Ag5 84.48(3) . .
Ag6 Cu1 Ag5 85.02(3) . .
Ag3 Cu1 Ag5 152.09(4) . .
C111 Cu1 Ag4 57.6(2) . .
C123 Cu1 Ag4 139.5(2) . .
C135 Cu1 Ag4 81.4(2) . .
Ag2 Cu1 Ag4 87.58(3) . .
Ag1 Cu1 Ag4 143.84(4) . .
Ag6 Cu1 Ag4 81.99(3) . .
Ag3 Cu1 Ag4 129.43(4) . .
Ag5 Cu1 Ag4 74.25(3) . .
C2 P1 C8 100.4(4) . .
C2 P1 C1 106.7(3) . .
C8 P1 C1 106.8(5) . .
C2 P1 Ag1 110.9(3) . .
C8 P1 Ag1 113.0(3) . .
C1 P1 Ag1 117.5(3) . .
C14 P2 C20 103.2(4) . .
C14 P2 C1 106.7(4) . .
C20 P2 C1 107.8(5) . .
C14 P2 Ag2 113.8(3) . .
C20 P2 Ag2 108.4(3) . .
C1 P2 Ag2 116.0(2) . .
C26 P3 C32 100.8(6) . .
C26 P3 C1 106.1(4) . .
C32 P3 C1 108.5(5) . .
C26 P3 Ag3 116.7(4) . .
C32 P3 Ag3 110.4(3) . .
C1 P3 Ag3 113.4(3) . .
C45 P4 C39 103.2(4) . .
C45 P4 C38 103.6(4) . .
C39 P4 C38 106.8(3) . .
C45 P4 Ag4 116.8(3) . .
C39 P4 Ag4 112.6(2) . .
C38 P4 Ag4 112.8(2) . .
C51 P5 C57 102.3(4) . .
C51 P5 C38 108.8(4) . .
C57 P5 C38 104.1(4) . .
C51 P5 Ag5 108.8(3) . .
C57 P5 Ag5 116.3(3) . .
C38 P5 Ag5 115.5(2) . .
C69 P6 C63 104.1(4) . .
C69 P6 C38 104.3(4) . .
C63 P6 C38 107.0(3) . .
C69 P6 Ag6 113.3(3) . .
C63 P6 Ag6 109.8(3) . .
C38 P6 Ag6 117.3(2) . .
O1 P7 O2 120.8(4) . .
O1 P7 C81 106.6(4) . .
O2 P7 C81 107.9(4) . .
O1 P7 C75 108.3(4) . .
O2 P7 C75 107.4(4) . .
C81 P7 C75 104.7(4) . .
O3 P8 O4 118.6(3) . .
O3 P8 C87 109.7(4) . .
O4 P8 C87 109.4(4) . .
O3 P8 C93 108.4(4) . .
O4 P8 C93 106.8(4) . .
C87 P8 C93 102.8(4) . .
O6 P9 O5 119.5(3) . .
O6 P9 C105 106.5(4) . .
O5 P9 C105 107.6(4) . .
O6 P9 C99 108.7(4) . .
O5 P9 C99 107.9(4) . .
C105 P9 C99 105.8(4) . .
P7 O1 Ag2 131.9(3) . .
P7 O2 Ag4 127.8(3) . .
P8 O3 Ag3 126.2(3) . .
P8 O4 Ag6 134.1(4) . .
P9 O5 Ag1 130.3(3) . .
P9 O6 Ag5 132.8(4) . .
O02 Cl1 O01 112.4(8) . .
O02 Cl1 O03 110.7(6) . .
O01 Cl1 O03 112.2(7) . .
O02 Cl1 O04 105.9(7) . .
O01 Cl1 O04 105.4(6) . .
O03 Cl1 O04 109.8(6) . .
P1 C1 P3 108.7(4) . .
P1 C1 P2 106.4(4) . .
P3 C1 P2 106.9(4) . .
Cl01 C01 Cl02 120.1(16) . .
C3 C2 C7 120.0(7) . .
C3 C2 P1 121.8(6) . .
C7 C2 P1 118.2(6) . .
Cl04 C02 Cl03 109.9(12) . .
C2 C3 C4 120.0(8) . .
Cl05 C03 Cl06 115.8(10) . .
C5 C4 C3 119.9(8) . .
Cl07 C04 Cl08 116.6(11) . .
C6 C5 C4 120.1(8) . .
Cl09 C05 Cl10 116(2) . .
C5 C6 C7 120.1(9) . .
Cl12 C06 Cl11 110.7(17) . .
C2 C7 C6 119.9(8) . .
Cl13 C07 Cl14 105(5) . .
C9 C8 C13 119.2(10) . .
C9 C8 P1 126.1(9) . .
C13 C8 P1 114.5(8) . .
C10 C9 C8 122.4(14) . .
C9 C10 C11 119.3(13) . .
C10 C11 C12 119.9(11) . .
C11 C12 C13 119.9(16) . .
C8 C13 C12 119.1(14) . .
C19 C14 C15 119.3(8) . .
C19 C14 P2 116.2(7) . .
C15 C14 P2 124.3(7) . .
C14 C15 C16 119.1(9) . .
C17 C16 C15 121.4(10) . .
C18 C17 C16 118.9(9) . .
C17 C18 C19 121.0(11) . .
C14 C19 C18 120.3(10) . .
C21 C20 C25 118.5(9) . .
C21 C20 P2 118.3(7) . .
C25 C20 P2 123.1(7) . .
C20 C21 C22 119.7(10) . .
C23 C22 C21 120.7(11) . .
C22 C23 C24 120.1(11) . .
C23 C24 C25 119.6(10) . .
C24 C25 C20 121.4(10) . .
C27 C26 C31 120.6(10) . .
C27 C26 P3 122.9(10) . .
C31 C26 P3 116.1(8) . .
C28 C27 C26 120.6(14) . .
C27 C28 C29 118.4(14) . .
C30 C29 C28 121.3(13) . .
C29 C30 C31 121.5(15) . .
C30 C31 C26 117.6(13) . .
C37 C32 C33 115.2(12) . .
C37 C32 P3 125.1(9) . .
C33 C32 P3 119.5(8) . .
C34 C33 C32 121.5(10) . .
C35 C34 C33 118.7(13) . .
C36 C35 C34 120.4(13) . .
C35 C36 C37 121.6(13) . .
C36 C37 C32 122.5(12) . .
P6 C38 P4 108.4(4) . .
P6 C38 P5 108.8(4) . .
P4 C38 P5 107.3(3) . .
C44 C39 C40 118.8(7) . .
C44 C39 P4 117.1(6) . .
C40 C39 P4 124.1(6) . .
C41 C40 C39 120.7(8) . .
C40 C41 C42 119.8(8) . .
C43 C42 C41 119.5(8) . .
C44 C43 C42 120.7(8) . .
C43 C44 C39 120.4(7) . .
C50 C45 C46 118.9(8) . .
C50 C45 P4 117.4(7) . .
C46 C45 P4 123.7(6) . .
C47 C46 C45 120.1(9) . .
C48 C47 C46 121.0(10) . .
C47 C48 C49 118.3(10) . .
C48 C49 C50 122.1(10) . .
C49 C50 C45 119.5(10) . .
C56 C51 C52 118.0(8) . .
C56 C51 P5 119.2(7) . .
C52 C51 P5 122.7(6) . .
C51 C52 C53 120.7(9) . .
C54 C53 C52 119.9(10) . .
C55 C54 C53 120.0(9) . .
C54 C55 C56 120.6(9) . .
C51 C56 C55 120.8(9) . .
C58 C57 C62 120.5(7) . .
C58 C57 P5 122.5(7) . .
C62 C57 P5 117.0(6) . .
C57 C58 C59 120.2(9) . .
C60 C59 C58 119.3(9) . .
C61 C60 C59 120.4(8) . .
C60 C61 C62 121.0(9) . .
C57 C62 C61 118.6(9) . .
C68 C63 C64 119.3(9) . .
C68 C63 P6 118.8(7) . .
C64 C63 P6 121.5(8) . .
C65 C64 C63 117.1(12) . .
C66 C65 C64 121.9(12) . .
C65 C66 C67 121.8(11) . .
C66 C67 C68 117.6(14) . .
C63 C68 C67 122.2(11) . .
C74 C69 C70 118.9(8) . .
C74 C69 P6 116.7(6) . .
C70 C69 P6 124.4(7) . .
C71 C70 C69 120.4(9) . .
C70 C71 C72 121.1(10) . .
C71 C72 C73 119.8(10) . .
C74 C73 C72 118.9(9) . .
C73 C74 C69 120.7(9) . .
C76 C75 C80 119.0(10) . .
C76 C75 P7 120.5(7) . .
C80 C75 P7 120.5(8) . .
C75 C76 C77 119.2(9) . .
C78 C77 C76 121.4(11) . .
C77 C78 C79 119.8(11) . .
C78 C79 C80 119.4(12) . .
C75 C80 C79 121.2(12) . .
C82 C81 C86 119.3(9) . .
C82 C81 P7 121.7(8) . .
C86 C81 P7 118.9(8) . .
C81 C82 C83 117.0(11) . .
C84 C83 C82 124.8(13) . .
C83 C84 C85 118.6(10) . .
C86 C85 C84 120.1(13) . .
C85 C86 C81 120.0(12) . .
C92 C87 C88 119.3(9) . .
C92 C87 P8 121.0(7) . .
C88 C87 P8 119.7(8) . .
C89 C88 C87 121.6(12) . .
C88 C89 C90 119.5(11) . .
C89 C90 C91 122.1(10) . .
C90 C91 C92 116.3(13) . .
C87 C92 C91 121.1(11) . .
C94 C93 C98 119.8(9) . .
C94 C93 P8 119.1(8) . .
C98 C93 P8 121.1(8) . .
C93 C94 C95 118.9(12) . .
C96 C95 C94 121.3(13) . .
C95 C96 C97 119.5(10) . .
C96 C97 C98 119.5(14) . .
C93 C98 C97 121.0(12) . .
C100 C99 C104 117.7(11) . .
C100 C99 P9 121.2(10) . .
C104 C99 P9 121.1(8) . .
C99 C100 C101 121.8(15) . .
C102 C101 C100 119.0(14) . .
C103 C102 C101 119.4(13) . .
C102 C103 C104 120.6(16) . .
C103 C104 C99 121.4(13) . .
C106 C105 C110 116.6(9) . .
C106 C105 P9 120.2(7) . .
C110 C105 P9 123.1(7) . .
C105 C106 C107 121.8(11) . .
C108 C107 C106 120.4(12) . .
C109 C108 C107 119.6(10) . .
C108 C109 C110 119.2(9) . .
C105 C110 C109 122.4(9) . .
C112 C111 Cu1 169.3(6) . .
C112 C111 Ag4 100.8(5) . .
Cu1 C111 Ag4 79.6(2) . .
C112 C111 Ag2 118.6(5) . .
Cu1 C111 Ag2 71.5(2) . .
Ag4 C111 Ag2 100.4(2) . .
C111 C112 C113 174.2(7) . .
C114 C113 C118 119.0(7) . .
C114 C113 C112 121.1(7) . .
C118 C113 C112 119.5(7) . .
C113 C114 C115 120.3(7) . .
C116 C115 C114 121.6(7) . .
C115 C116 C117 117.8(7) . .
C115 C116 C119 121.3(7) . .
C117 C116 C119 120.7(7) . .
C118 C117 C116 121.5(7) . .
C117 C118 C113 119.6(7) . .
C120 C119 C122 108.3(8) . .
C120 C119 C121 110.4(8) . .
C122 C119 C121 108.3(8) . .
C120 C119 C116 107.9(6) . .
C122 C119 C116 111.1(7) . .
C121 C119 C116 110.8(7) . .
C124 C123 Cu1 168.9(7) . .
C124 C123 Ag6 108.2(5) . .
Cu1 C123 Ag6 76.0(3) . .
C124 C123 Ag3 114.5(6) . .
Cu1 C123 Ag3 74.4(2) . .
Ag6 C123 Ag3 97.1(3) . .
C124 C123 Ag1 104.6(5) . .
Cu1 C123 Ag1 68.6(2) . .
Ag6 C123 Ag1 142.4(3) . .
Ag3 C123 Ag1 85.5(2) . .
C123 C124 C125 172.6(8) . .
C130 C125 C126 117.9(7) . .
C130 C125 C124 120.2(7) . .
C126 C125 C124 121.9(7) . .
C127 C126 C125 120.6(8) . .
C126 C127 C128 121.8(8) . .
C129 C128 C127 116.7(7) . .
C129 C128 C131 120.0(8) . .
C127 C128 C131 123.3(8) . .
C128 C129 C130 121.6(7) . .
C125 C130 C129 121.3(7) . .
C133 C131 C134 106.8(9) . .
C133 C131 C128 113.2(8) . .
C134 C131 C128 110.4(8) . .
C133 C131 C132 108.7(9) . .
C134 C131 C132 110.0(10) . .
C128 C131 C132 107.7(9) . .
C136 C135 Cu1 170.7(7) . .
C136 C135 Ag5 100.4(6) . .
Cu1 C135 Ag5 82.1(3) . .
C136 C135 Ag1 115.5(6) . .
Cu1 C135 Ag1 72.4(2) . .
Ag5 C135 Ag1 101.2(3) . .
C136 C135 Ag2 108.0(6) . .
Cu1 C135 Ag2 67.3(2) . .
Ag5 C135 Ag2 147.0(3) . .
Ag1 C135 Ag2 81.7(2) . .
C135 C136 C137 177.6(9) . .
C138 C137 C142 119.2(7) . .
C138 C137 C136 120.6(7) . .
C142 C137 C136 120.2(7) . .
C137 C138 C139 120.4(8) . .
C140 C139 C138 121.3(9) . .
C139 C140 C141 117.5(7) . .
C139 C140 C143 121.0(8) . .
C141 C140 C143 121.5(7) . .
C142 C141 C140 120.7(7) . .
C137 C142 C141 120.8(7) . .
C146 C143 C144 112.5(11) . .
C146 C143 C140 112.4(8) . .
C144 C143 C140 111.3(8) . .
C146 C143 C145 105.9(10) . .
C144 C143 C145 106.5(10) . .
C140 C143 C145 107.7(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O5 2.287(5) .
Ag1 P1 2.4110(19) .
Ag1 C135 2.472(8) .
Ag1 C123 2.649(7) .
Ag1 Cu1 2.6586(10) .
Ag1 Ag2 3.3578(8) .
Ag2 O1 2.248(6) .
Ag2 P2 2.407(2) .
Ag2 C111 2.493(7) .
Ag2 Cu1 2.6312(10) .
Ag2 C135 2.658(7) .
Ag3 O3 2.253(5) .
Ag3 P3 2.424(2) .
Ag3 C123 2.470(8) .
Ag3 Cu1 2.7099(11) .
Ag4 O2 2.253(6) .
Ag4 C111 2.415(7) .
Ag4 P4 2.4189(19) .
Ag4 Cu1 2.8146(11) .
Ag5 O6 2.285(6) .
Ag5 C135 2.285(7) .
Ag5 P5 2.396(2) .
Ag5 Cu1 2.8087(10) .
Ag6 O4 2.210(5) .
Ag6 C123 2.364(7) .
Ag6 P6 2.3987(19) .
Ag6 Cu1 2.6803(10) .
Cu1 C111 1.944(7) .
Cu1 C123 1.959(7) .
Cu1 C135 1.977(7) .
P1 C2 1.830(7) .
P1 C8 1.832(10) .
P1 C1 1.871(8) .
P2 C14 1.819(8) .
P2 C20 1.840(9) .
P2 C1 1.878(10) .
P3 C26 1.825(11) .
P3 C32 1.826(13) .
P3 C1 1.874(8) .
P4 C45 1.825(8) .
P4 C39 1.838(8) .
P4 C38 1.867(7) .
P5 C51 1.817(8) .
P5 C57 1.825(7) .
P5 C38 1.870(7) .
P6 C69 1.810(9) .
P6 C63 1.836(8) .
P6 C38 1.864(7) .
P7 O1 1.493(6) .
P7 O2 1.518(6) .
P7 C81 1.814(8) .
P7 C75 1.823(9) .
P8 O3 1.494(6) .
P8 O4 1.509(6) .
P8 C87 1.802(8) .
P8 C93 1.823(9) .
P9 O6 1.482(7) .
P9 O5 1.494(6) .
P9 C105 1.811(9) .
P9 C99 1.811(10) .
O01 Cl1 1.412(11) .
O02 Cl1 1.405(9) .
O03 Cl1 1.413(9) .
O04 Cl1 1.438(8) .
Cl01 C01 1.63(2) .
Cl02 C01 1.71(2) .
Cl03 C02 1.807(17) .
Cl04 C02 1.76(2) .
Cl05 C03 1.592(18) .
Cl06 C03 1.735(18) .
Cl07 C04 1.664(18) .
Cl08 C04 1.76(2) .
Cl09 C05 1.64(3) .
Cl10 C05 1.75(3) .
Cl11 C06 1.796(19) .
Cl12 C06 1.744(19) .
Cl13 C07 1.762(10) .
Cl14 C07 1.96(12) .
C2 C3 1.376(11) .
C2 C7 1.386(11) .
C3 C4 1.401(11) .
C4 C5 1.383(13) .
C5 C6 1.376(14) .
C6 C7 1.396(12) .
C8 C9 1.360(14) .
C8 C13 1.390(16) .
C9 C10 1.355(16) .
C10 C11 1.38(3) .
C11 C12 1.38(3) .
C12 C13 1.396(15) .
C14 C19 1.369(13) .
C14 C15 1.391(12) .
C15 C16 1.397(12) .
C16 C17 1.366(16) .
C17 C18 1.364(16) .
C18 C19 1.392(13) .
C20 C21 1.362(14) .
C20 C25 1.406(13) .
C21 C22 1.415(15) .
C22 C23 1.360(17) .
C23 C24 1.372(17) .
C24 C25 1.377(14) .
C26 C27 1.405(16) .
C26 C31 1.407(19) .
C27 C28 1.355(17) .
C28 C29 1.43(2) .
C29 C30 1.34(2) .
C30 C31 1.394(16) .
C32 C37 1.369(16) .
C32 C33 1.426(16) .
C33 C34 1.412(17) .
C34 C35 1.355(18) .
C35 C36 1.34(2) .
C36 C37 1.37(2) .
C39 C44 1.390(11) .
C39 C40 1.392(11) .
C40 C41 1.386(12) .
C41 C42 1.391(13) .
C42 C43 1.379(12) .
C43 C44 1.379(11) .
C45 C50 1.377(12) .
C45 C46 1.387(12) .
C46 C47 1.378(13) .
C47 C48 1.364(18) .
C48 C49 1.369(19) .
C49 C50 1.372(15) .
C51 C56 1.381(12) .
C51 C52 1.396(12) .
C52 C53 1.400(12) .
C53 C54 1.370(16) .
C54 C55 1.362(17) .
C55 C56 1.395(13) .
C57 C58 1.389(12) .
C57 C62 1.392(12) .
C58 C59 1.392(11) .
C59 C60 1.387(14) .
C60 C61 1.377(15) .
C61 C62 1.392(12) .
C63 C68 1.342(16) .
C63 C64 1.436(14) .
C64 C65 1.416(15) .
C65 C66 1.31(2) .
C66 C67 1.39(2) .
C67 C68 1.408(13) .
C69 C74 1.399(12) .
C69 C70 1.402(12) .
C70 C71 1.352(15) .
C71 C72 1.380(17) .
C72 C73 1.410(16) .
C73 C74 1.380(14) .
C75 C76 1.380(13) .
C75 C80 1.385(15) .
C76 C77 1.410(14) .
C77 C78 1.357(17) .
C78 C79 1.38(2) .
C79 C80 1.395(19) .
C81 C82 1.376(14) .
C81 C86 1.391(14) .
C82 C83 1.417(15) .
C83 C84 1.28(2) .
C84 C85 1.39(2) .
C85 C86 1.388(14) .
C87 C92 1.370(14) .
C87 C88 1.390(13) .
C88 C89 1.349(16) .
C89 C90 1.37(2) .
C90 C91 1.41(2) .
C91 C92 1.418(15) .
C93 C94 1.368(14) .
C93 C98 1.371(14) .
C94 C95 1.415(14) .
C95 C96 1.35(2) .
C96 C97 1.39(2) .
C97 C98 1.390(14) .
C99 C100 1.370(16) .
C99 C104 1.393(18) .
C100 C101 1.409(18) .
C101 C102 1.39(2) .
C102 C103 1.37(2) .
C103 C104 1.381(17) .
C105 C106 1.366(15) .
C105 C110 1.391(13) .
C106 C107 1.392(16) .
C107 C108 1.374(17) .
C108 C109 1.362(15) .
C109 C110 1.397(13) .
C111 C112 1.244(10) .
C112 C113 1.431(10) .
C113 C114 1.385(11) .
C113 C118 1.401(10) .
C114 C115 1.389(11) .
C115 C116 1.375(11) .
C116 C117 1.401(11) .
C116 C119 1.547(10) .
C117 C118 1.383(11) .
C119 C120 1.499(12) .
C119 C122 1.511(13) .
C119 C121 1.515(12) .
C123 C124 1.224(10) .
C124 C125 1.447(10) .
C125 C130 1.372(11) .
C125 C126 1.389(11) .
C126 C127 1.382(12) .
C127 C128 1.398(13) .
C128 C129 1.378(11) .
C128 C131 1.528(11) .
C129 C130 1.390(11) .
C131 C133 1.515(14) .
C131 C134 1.524(15) .
C131 C132 1.532(18) .
C135 C136 1.220(11) .
C136 C137 1.439(10) .
C137 C138 1.375(12) .
C137 C142 1.381(11) .
C138 C139 1.396(12) .
C139 C140 1.389(12) .
C140 C141 1.406(11) .
C140 C143 1.522(11) .
C141 C142 1.388(10) .
C143 C146 1.490(14) .
C143 C144 1.491(15) .
C143 C145 1.575(17) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168339010
