#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/10/4311078.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_4311078
loop_
_publ_author_name
'Qiao-Hua Wei'
'Gang-Qiang Yin'
'Li-Yi Zhang'
'Lin-Xi Shi'
'Zong-Wan Mao'
'Zhong-Ning Chen'
_publ_contact_author
;
Zhong-Ning Chen
Fujian Institute of Research on the Structure of Matter, 
Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
;
_publ_contact_author_email       '  czn@ms.fjirsm.ac.cn '
_publ_section_title
;
 Luminescent AgI-CuI Heterometallic Hexa-, Octa-, and Hexadecanuclear
 Alkynyl Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3484
_journal_page_last               3491
_journal_paper_doi               10.1021/ic0499244
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C140 H126 Ag4 Cl2 Cu2 N7 O9.5 P8'
_chemical_formula_weight         2935.70
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.52
_cell_angle_beta                 90.2870(10)
_cell_angle_gamma                91.40
_cell_formula_units_Z            2
_cell_length_a                   15.4263(3)
_cell_length_b                   17.2100(3)
_cell_length_c                   26.7899(5)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.00
_cell_measurement_theta_min      .78
_cell_volume                     6912.8(2)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            33315
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         0.78
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.046
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .6532
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2982
_exptl_crystal_size_max          .76
_exptl_crystal_size_mid          .72
_exptl_crystal_size_min          .52
_refine_diff_density_max         1.263
_refine_diff_density_min         -1.266
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1562
_refine_ls_number_reflns         21637
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0655
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0635P)²+35.4546P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1574
_refine_ls_wR_factor_ref         0.1884
_reflns_number_gt                16427
_reflns_number_total             21637
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0499244si20040118_090610_2.cif
_cod_data_source_block           2(Compound2)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C140 H126 Ag4 Cl2 Cu2 N7 O9.50 P8'
_cod_database_code               4311078
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.19429(4) 0.41069(4) 0.24627(3) 0.04732(17) Uani 1 1 d . . .
Ag2 Ag 0.10988(4) 0.25409(4) 0.26149(3) 0.05248(18) Uani 1 1 d . . .
Ag3 Ag 0.28914(4) 0.04400(3) 0.29036(2) 0.04388(16) Uani 1 1 d . . .
Ag4 Ag 0.27190(5) 0.14359(4) 0.21298(3) 0.0581(2) Uani 1 1 d . . .
Cu1 Cu 0.22907(6) 0.20546(5) 0.32096(3) 0.0361(2) Uani 1 1 d . . .
Cu2 Cu 0.29941(6) 0.29760(5) 0.27097(3) 0.0377(2) Uani 1 1 d . . .
Cl1 Cl 0.2632(4) -0.3332(3) -0.01747(15) 0.1358(16) Uani 1 1 d . . .
Cl2 Cl 0.2123(2) 0.1366(2) 0.58729(13) 0.0935(9) Uani 1 1 d . . .
P1 P 0.19783(12) 0.19525(11) 0.40171(7) 0.0358(4) Uani 1 1 d . . .
P2 P 0.29185(12) 0.04363(11) 0.38313(7) 0.0362(4) Uani 1 1 d . . .
P3 P 0.32235(13) 0.50295(11) 0.24966(8) 0.0416(5) Uani 1 1 d . . .
P4 P 0.42172(12) 0.37528(11) 0.28189(8) 0.0368(4) Uani 1 1 d . . .
P5 P -0.03136(13) 0.29256(13) 0.24046(8) 0.0440(5) Uani 1 1 d . . .
P6 P 0.04875(13) 0.44472(12) 0.22196(9) 0.0441(5) Uani 1 1 d . . .
P7 P 0.31297(15) 0.03746(12) 0.14346(8) 0.0448(5) Uani 1 1 d . . .
P8 P 0.32741(14) -0.06738(11) 0.21749(7) 0.0403(5) Uani 1 1 d . . .
O01 O 0.4199(6) -0.1731(5) 0.0790(3) 0.105(3) Uani 1 1 d . . .
O02 O 0.5943(11) -0.2227(11) 0.0741(6) 0.097(5) Uani 0.50 1 d PD . .
O11 O 0.2259(11) -0.3472(10) -0.0675(6) 0.213(7) Uani 1 1 d . . .
O12 O 0.3010(13) -0.2586(11) -0.0237(8) 0.259(10) Uani 1 1 d . . .
O13 O 0.232(2) -0.4030(16) -0.0048(11) 0.206(15) Uani 0.50 1 d P . .
O13' O 0.1785(17) -0.309(2) 0.0005(13) 0.244(19) Uani 0.50 1 d P . .
O14 O 0.3475(17) -0.3778(16) -0.0299(10) 0.188(13) Uani 0.50 1 d P . .
O14' O 0.2951(18) -0.3059(14) 0.0348(6) 0.156(10) Uani 0.50 1 d P . .
O21 O 0.2615(7) 0.1282(6) 0.5401(3) 0.130(4) Uani 1 1 d . . .
O22 O 0.2191(11) 0.0579(8) 0.5947(7) 0.221(8) Uani 1 1 d . . .
O23 O 0.2836(14) 0.1630(13) 0.6239(6) 0.129(7) Uani 0.50 1 d P . .
O23' O 0.2138(16) 0.2259(11) 0.6022(11) 0.173(11) Uani 0.50 1 d P . .
O24 O 0.1279(9) 0.1417(18) 0.5683(9) 0.166(11) Uani 0.50 1 d P . .
O24' O 0.1473(17) 0.1517(17) 0.6280(15) 0.24(2) Uani 0.50 1 d P . .
N1 N -0.0343(4) 0.3801(4) 0.2226(3) 0.0539(18) Uani 1 1 d . . .
H1A H -0.0838 0.3931 0.2127 0.065 Uiso 1 1 calc R . .
N01 N 0.5615(14) 0.2933(13) 0.5290(7) 0.200(8) Uani 1 1 d . . .
N2 N 0.4129(4) 0.4660(4) 0.2687(3) 0.0459(16) Uani 1 1 d . . .
H2A H 0.4590 0.4959 0.2721 0.055 Uiso 1 1 calc R . .
N3 N 0.2581(4) 0.1281(4) 0.4224(2) 0.0401(14) Uani 1 1 d . . .
H3A H 0.2720 0.1375 0.4545 0.048 Uiso 1 1 calc R . .
N4 N 0.3501(4) -0.0430(4) 0.1617(2) 0.0456(16) Uani 1 1 d . . .
H4A H 0.3834 -0.0741 0.1407 0.055 Uiso 1 1 calc R . .
N011 N 0.5906(15) 0.5666(14) 0.2664(9) 0.229(9) Uiso 1 1 d D . .
N021 N 0.7909(14) 0.4632(14) 0.2033(8) 0.227(9) Uiso 1 1 d D . .
C01 C 0.5010(13) 0.2857(11) 0.5495(8) 0.140(7) Uani 1 1 d . . .
C1 C 0.1449(5) 0.1240(5) 0.2696(3) 0.0430(18) Uani 1 1 d . . .
C02 C 0.4205(14) 0.2759(12) 0.5740(8) 0.179(9) Uani 1 1 d . . .
H02A H 0.4260 0.2991 0.6101 0.269 Uiso 1 1 calc R . .
H02B H 0.4058 0.2200 0.5685 0.269 Uiso 1 1 calc R . .
H02C H 0.3757 0.3022 0.5597 0.269 Uiso 1 1 calc R . .
C2 C 0.1018(5) 0.0650(5) 0.2582(3) 0.0431(18) Uani 1 1 d . . .
C3 C 0.0416(5) -0.0029(5) 0.2470(4) 0.053(2) Uani 1 1 d . . .
C4 C 0.0336(8) -0.0506(6) 0.1975(4) 0.081(3) Uani 1 1 d . . .
H14A H 0.0689 -0.0404 0.1716 0.097 Uiso 1 1 calc R . .
C5 C -0.0264(11) -0.1126(7) 0.1868(6) 0.125(6) Uani 1 1 d . . .
H15A H -0.0318 -0.1426 0.1532 0.150 Uiso 1 1 calc R . .
C6 C -0.0770(10) -0.1319(7) 0.2220(8) 0.129(7) Uani 1 1 d . . .
C7 C -0.0695(6) -0.0861(7) 0.2727(6) 0.101(5) Uani 1 1 d . . .
H17A H -0.1042 -0.0984 0.2982 0.121 Uiso 1 1 calc R . .
C8 C -0.0091(6) -0.0216(6) 0.2848(4) 0.067(3) Uani 1 1 d . . .
H18A H -0.0036 0.0085 0.3184 0.080 Uiso 1 1 calc R . .
C9 C -0.1474(12) -0.1966(11) 0.2111(10) 0.222(14) Uani 1 1 d . . .
H19A H -0.1464 -0.2237 0.1754 0.334 Uiso 1 1 calc R . .
H19B H -0.2029 -0.1730 0.2191 0.334 Uiso 1 1 calc R . .
H19C H -0.1375 -0.2342 0.2318 0.334 Uiso 1 1 calc R . .
C011 C 0.6490(16) 0.5743(18) 0.2973(10) 0.223(11) Uiso 1 1 d D . .
C11 C 0.2030(5) 0.3326(5) 0.3267(3) 0.0468(19) Uani 1 1 d . . .
C012 C 0.7357(15) 0.5706(17) 0.3181(11) 0.246(13) Uiso 1 1 d D . .
H01A H 0.7353 0.5913 0.3547 0.370 Uiso 1 1 calc R . .
H01B H 0.7754 0.6021 0.3030 0.370 Uiso 1 1 calc R . .
H01C H 0.7536 0.5161 0.3105 0.370 Uiso 1 1 calc R . .
C12 C 0.1858(5) 0.3921(5) 0.3589(3) 0.0441(18) Uani 1 1 d . . .
C13 C 0.1744(6) 0.4633(5) 0.3983(3) 0.050(2) Uani 1 1 d . . .
C14 C 0.2371(8) 0.5236(6) 0.4082(4) 0.084(3) Uani 1 1 d . . .
H34A H 0.2891 0.5164 0.3905 0.100 Uiso 1 1 calc R . .
C15 C 0.2242(12) 0.5949(7) 0.4440(5) 0.115(5) Uani 1 1 d . . .
H35A H 0.2675 0.6345 0.4499 0.138 Uiso 1 1 calc R . .
C16 C 0.1484(13) 0.6074(7) 0.4706(5) 0.118(6) Uani 1 1 d . . .
C17 C 0.0867(11) 0.5470(8) 0.4627(5) 0.113(5) Uani 1 1 d . . .
H37A H 0.0355 0.5542 0.4812 0.136 Uiso 1 1 calc R . .
C18 C 0.0995(8) 0.4751(6) 0.4271(4) 0.080(3) Uani 1 1 d . . .
H38A H 0.0572 0.4345 0.4227 0.096 Uiso 1 1 calc R . .
C19 C 0.1306(16) 0.6884(8) 0.5073(6) 0.190(11) Uani 1 1 d . . .
H39A H 0.1801 0.7237 0.5085 0.285 Uiso 1 1 calc R . .
H39B H 0.1197 0.6806 0.5411 0.285 Uiso 1 1 calc R . .
H39C H 0.0809 0.7115 0.4953 0.285 Uiso 1 1 calc R . .
C021 C 0.733(2) 0.476(3) 0.1759(15) 0.34(2) Uiso 1 1 d D . .
C21 C 0.2421(5) 0.2712(4) 0.1989(3) 0.0415(18) Uani 1 1 d . . .
C022 C 0.6516(14) 0.4941(15) 0.1545(10) 0.220(11) Uiso 1 1 d D . .
H02D H 0.6544 0.4805 0.1177 0.330 Uiso 1 1 calc R . .
H02E H 0.6409 0.5501 0.1662 0.330 Uiso 1 1 calc R . .
H02F H 0.6055 0.4636 0.1654 0.330 Uiso 1 1 calc R . .
C22 C 0.2110(5) 0.2705(5) 0.1587(3) 0.0466(19) Uani 1 1 d . . .
C23 C 0.1735(6) 0.2686(6) 0.1088(3) 0.064(2) Uani 1 1 d . . .
C24 C 0.0878(7) 0.2492(8) 0.0985(4) 0.087(4) Uani 1 1 d . . .
H24A H 0.0535 0.2354 0.1237 0.105 Uiso 1 1 calc R . .
C25 C 0.0517(10) 0.2496(10) 0.0522(5) 0.124(5) Uani 1 1 d . . .
H25A H -0.0072 0.2374 0.0470 0.148 Uiso 1 1 calc R . .
C26 C 0.0978(12) 0.2670(14) 0.0138(6) 0.158(8) Uani 1 1 d . . .
C27 C 0.1820(14) 0.2873(18) 0.0237(6) 0.228(14) Uani 1 1 d . . .
H27A H 0.2149 0.3024 -0.0017 0.274 Uiso 1 1 calc R . .
C28 C 0.2225(10) 0.2868(13) 0.0708(5) 0.152(8) Uani 1 1 d . . .
H28A H 0.2815 0.2986 0.0758 0.182 Uiso 1 1 calc R . .
C29 C 0.0536(16) 0.2705(19) -0.0377(7) 0.265(16) Uani 1 1 d . . .
H29A H -0.0062 0.2538 -0.0373 0.398 Uiso 1 1 calc R . .
H29B H 0.0825 0.2356 -0.0655 0.398 Uiso 1 1 calc R . .
H29C H 0.0572 0.3243 -0.0420 0.398 Uiso 1 1 calc R . .
C31 C 0.3519(5) 0.1904(4) 0.2931(3) 0.0376(17) Uani 1 1 d . . .
C031 C 0.612(3) -0.3131(12) 0.0726(16) 0.184(17) Uiso 0.50 1 d PD . .
H03H H 0.6716 -0.3282 0.0650 0.221 Uiso 0.50 1 calc PR . .
H03I H 0.5911 -0.3308 0.1023 0.221 Uiso 0.50 1 calc PR . .
C32 C 0.4236(5) 0.1624(4) 0.2878(3) 0.0400(17) Uani 1 1 d . . .
C032 C 0.551(3) -0.334(3) 0.0264(16) 0.197(18) Uiso 0.50 1 d PD . .
H03E H 0.5469 -0.3906 0.0140 0.295 Uiso 0.50 1 calc PR . .
H03F H 0.5736 -0.3100 -0.0002 0.295 Uiso 0.50 1 calc PR . .
H03G H 0.4950 -0.3132 0.0362 0.295 Uiso 0.50 1 calc PR . .
C33 C 0.5115(5) 0.1351(4) 0.2848(3) 0.0445(19) Uani 1 1 d . . .
C033 C 0.668(2) -0.2029(17) 0.1161(13) 0.178(16) Uiso 0.50 1 d PD . .
H03D H 0.6508 -0.2127 0.1489 0.213 Uiso 0.50 1 calc PR . .
H03J H 0.7220 -0.2295 0.1050 0.213 Uiso 0.50 1 calc PR . .
C34 C 0.5512(5) 0.1178(5) 0.3277(3) 0.049(2) Uani 1 1 d . . .
H4B H 0.5217 0.1256 0.3586 0.059 Uiso 1 1 calc R . .
C034 C 0.671(2) -0.1150(17) 0.1157(12) 0.127(10) Uiso 0.50 1 d PD . .
H03A H 0.7114 -0.0869 0.1414 0.190 Uiso 0.50 1 calc PR . .
H03B H 0.6144 -0.0935 0.1228 0.190 Uiso 0.50 1 calc PR . .
H03C H 0.6892 -0.1089 0.0825 0.190 Uiso 0.50 1 calc PR . .
C35 C 0.6348(6) 0.0887(6) 0.3243(4) 0.062(2) Uani 1 1 d . . .
H5A H 0.6606 0.0781 0.3534 0.074 Uiso 1 1 calc R . .
C36 C 0.6802(6) 0.0752(6) 0.2796(4) 0.064(3) Uani 1 1 d . . .
C37 C 0.6414(6) 0.0945(6) 0.2372(4) 0.070(3) Uani 1 1 d . . .
H7A H 0.6717 0.0875 0.2066 0.084 Uiso 1 1 calc R . .
C38 C 0.5586(6) 0.1239(5) 0.2398(4) 0.059(2) Uani 1 1 d . . .
H8A H 0.5340 0.1364 0.2110 0.070 Uiso 1 1 calc R . .
C39 C 0.7696(7) 0.0408(8) 0.2756(6) 0.099(4) Uani 1 1 d . . .
H9A H 0.7864 0.0310 0.3081 0.148 Uiso 1 1 calc R . .
H9B H 0.8102 0.0780 0.2662 0.148 Uiso 1 1 calc R . .
H9C H 0.7691 -0.0085 0.2498 0.148 Uiso 1 1 calc R . .
C111 C -0.0860(5) 0.2188(5) 0.1897(3) 0.047(2) Uani 1 1 d . . .
C112 C -0.1343(6) 0.2393(6) 0.1516(3) 0.060(2) Uani 1 1 d . . .
H11A H -0.1404 0.2927 0.1510 0.072 Uiso 1 1 calc R . .
C113 C -0.1741(7) 0.1791(7) 0.1141(4) 0.076(3) Uani 1 1 d . . .
H11B H -0.2055 0.1928 0.0878 0.091 Uiso 1 1 calc R . .
C114 C -0.1682(7) 0.1002(7) 0.1150(4) 0.078(3) Uani 1 1 d . . .
H11C H -0.1960 0.0607 0.0901 0.094 Uiso 1 1 calc R . .
C115 C -0.1205(7) 0.0806(6) 0.1532(4) 0.078(3) Uani 1 1 d . . .
H11D H -0.1163 0.0272 0.1542 0.093 Uiso 1 1 calc R . .
C116 C -0.0785(6) 0.1388(5) 0.1902(4) 0.061(2) Uani 1 1 d . . .
H11E H -0.0452 0.1245 0.2155 0.073 Uiso 1 1 calc R . .
C121 C -0.1084(5) 0.3094(5) 0.2927(3) 0.048(2) Uani 1 1 d . . .
C122 C -0.1891(6) 0.2706(6) 0.2906(4) 0.059(2) Uani 1 1 d . . .
H12A H -0.2048 0.2307 0.2619 0.071 Uiso 1 1 calc R . .
C123 C -0.2461(6) 0.2910(6) 0.3310(4) 0.071(3) Uani 1 1 d . . .
H12B H -0.3000 0.2649 0.3293 0.086 Uiso 1 1 calc R . .
C124 C -0.2236(7) 0.3487(7) 0.3730(5) 0.082(3) Uani 1 1 d . . .
H12C H -0.2625 0.3627 0.3998 0.098 Uiso 1 1 calc R . .
C125 C -0.1444(8) 0.3864(7) 0.3762(5) 0.086(3) Uani 1 1 d . . .
H12D H -0.1291 0.4256 0.4054 0.103 Uiso 1 1 calc R . .
C126 C -0.0868(7) 0.3664(6) 0.3363(4) 0.073(3) Uani 1 1 d . . .
H12E H -0.0326 0.3919 0.3389 0.087 Uiso 1 1 calc R . .
C211 C 0.0130(6) 0.5371(5) 0.2647(4) 0.057(2) Uani 1 1 d . . .
C212 C -0.0277(8) 0.5978(7) 0.2480(5) 0.093(4) Uani 1 1 d . . .
H21A H -0.0384 0.5936 0.2132 0.112 Uiso 1 1 calc R . .
C213 C -0.0522(10) 0.6655(7) 0.2850(7) 0.119(5) Uani 1 1 d . . .
H21B H -0.0795 0.7066 0.2743 0.142 Uiso 1 1 calc R . .
C214 C -0.0376(9) 0.6728(7) 0.3348(6) 0.108(5) Uani 1 1 d . . .
H21C H -0.0546 0.7185 0.3584 0.129 Uiso 1 1 calc R . .
C215 C 0.0012(8) 0.6149(7) 0.3510(5) 0.090(4) Uani 1 1 d . . .
H21D H 0.0100 0.6201 0.3860 0.108 Uiso 1 1 calc R . .
C216 C 0.0292(6) 0.5460(6) 0.3162(4) 0.068(3) Uani 1 1 d . . .
H21E H 0.0584 0.5069 0.3278 0.081 Uiso 1 1 calc R . .
C221 C 0.0456(6) 0.4667(5) 0.1591(3) 0.057(2) Uani 1 1 d . . .
C222 C 0.1165(7) 0.5013(8) 0.1430(4) 0.086(4) Uani 1 1 d . . .
H22A H 0.1659 0.5110 0.1637 0.103 Uiso 1 1 calc R . .
C223 C 0.1168(9) 0.5226(9) 0.0962(5) 0.106(4) Uani 1 1 d . . .
H22B H 0.1667 0.5461 0.0861 0.127 Uiso 1 1 calc R . .
C224 C 0.0486(11) 0.5104(10) 0.0659(5) 0.135(7) Uani 1 1 d . . .
H22C H 0.0484 0.5275 0.0354 0.162 Uiso 1 1 calc R . .
C225 C -0.0208(13) 0.4728(14) 0.0799(7) 0.202(12) Uani 1 1 d . . .
H22D H -0.0680 0.4603 0.0575 0.242 Uiso 1 1 calc R . .
C226 C -0.0244(11) 0.4519(11) 0.1267(6) 0.149(8) Uani 1 1 d . . .
H22E H -0.0744 0.4278 0.1360 0.179 Uiso 1 1 calc R . .
C311 C 0.3171(5) 0.6030(4) 0.2910(3) 0.0447(19) Uani 1 1 d . . .
C312 C 0.3871(7) 0.6538(6) 0.3001(5) 0.084(3) Uani 1 1 d . . .
H31A H 0.4394 0.6377 0.2844 0.101 Uiso 1 1 calc R . .
C313 C 0.3819(9) 0.7293(6) 0.3326(6) 0.102(4) Uani 1 1 d . . .
H31B H 0.4303 0.7636 0.3387 0.122 Uiso 1 1 calc R . .
C314 C 0.3047(9) 0.7526(6) 0.3554(4) 0.086(4) Uani 1 1 d . . .
H31C H 0.3006 0.8029 0.3774 0.103 Uiso 1 1 calc R . .
C315 C 0.2358(9) 0.7038(7) 0.3463(5) 0.101(4) Uani 1 1 d . . .
H31D H 0.1835 0.7200 0.3620 0.121 Uiso 1 1 calc R . .
C316 C 0.2413(7) 0.6288(6) 0.3138(5) 0.079(3) Uani 1 1 d . . .
H31E H 0.1921 0.5954 0.3073 0.095 Uiso 1 1 calc R . .
C321 C 0.3508(6) 0.5223(5) 0.1883(3) 0.056(2) Uani 1 1 d . . .
C322 C 0.3250(7) 0.5887(6) 0.1725(4) 0.066(3) Uani 1 1 d . . .
H32A H 0.2955 0.6282 0.1953 0.080 Uiso 1 1 calc R . .
C323 C 0.3418(8) 0.5983(6) 0.1236(4) 0.081(3) Uani 1 1 d . . .
H32B H 0.3224 0.6428 0.1132 0.097 Uiso 1 1 calc R . .
C324 C 0.3866(10) 0.5421(8) 0.0913(5) 0.110(5) Uani 1 1 d . . .
H32C H 0.3988 0.5485 0.0585 0.132 Uiso 1 1 calc R . .
C325 C 0.4146(13) 0.4755(10) 0.1060(5) 0.142(7) Uani 1 1 d . . .
H32D H 0.4452 0.4367 0.0834 0.171 Uiso 1 1 calc R . .
C326 C 0.3966(11) 0.4675(8) 0.1546(5) 0.114(5) Uani 1 1 d . . .
H32E H 0.4164 0.4230 0.1648 0.137 Uiso 1 1 calc R . .
C411 C 0.5047(5) 0.3310(4) 0.2371(3) 0.0442(19) Uani 1 1 d . . .
C412 C 0.4764(6) 0.2890(5) 0.1887(3) 0.051(2) Uani 1 1 d . . .
H41A H 0.4175 0.2784 0.1824 0.061 Uiso 1 1 calc R . .
C413 C 0.5342(7) 0.2631(6) 0.1502(4) 0.068(3) Uani 1 1 d . . .
H41B H 0.5138 0.2369 0.1177 0.082 Uiso 1 1 calc R . .
C414 C 0.6204(7) 0.2750(7) 0.1587(4) 0.087(3) Uani 1 1 d . . .
H41C H 0.6592 0.2572 0.1322 0.104 Uiso 1 1 calc R . .
C415 C 0.6503(7) 0.3134(8) 0.2065(5) 0.089(4) Uani 1 1 d . . .
H41D H 0.7097 0.3201 0.2126 0.107 Uiso 1 1 calc R . .
C416 C 0.5927(6) 0.3429(6) 0.2463(4) 0.064(2) Uani 1 1 d . . .
H41E H 0.6134 0.3700 0.2785 0.077 Uiso 1 1 calc R . .
C421 C 0.4765(5) 0.3986(5) 0.3446(3) 0.0428(18) Uani 1 1 d . . .
C422 C 0.5062(6) 0.3361(5) 0.3641(3) 0.056(2) Uani 1 1 d . . .
H42A H 0.5010 0.2842 0.3441 0.067 Uiso 1 1 calc R . .
C423 C 0.5433(6) 0.3494(6) 0.4124(4) 0.064(2) Uani 1 1 d . . .
H42B H 0.5625 0.3070 0.4253 0.077 Uiso 1 1 calc R . .
C424 C 0.5512(7) 0.4264(6) 0.4409(4) 0.072(3) Uani 1 1 d . . .
H42C H 0.5770 0.4363 0.4733 0.087 Uiso 1 1 calc R . .
C425 C 0.5225(8) 0.4881(6) 0.4232(4) 0.083(3) Uani 1 1 d . . .
H42D H 0.5280 0.5398 0.4435 0.100 Uiso 1 1 calc R . .
C426 C 0.4850(6) 0.4751(5) 0.3749(4) 0.064(2) Uani 1 1 d . . .
H42E H 0.4654 0.5180 0.3628 0.077 Uiso 1 1 calc R . .
C511 C 0.2256(5) -0.0340(4) 0.4007(3) 0.0422(18) Uani 1 1 d . . .
C512 C 0.2372(6) -0.0594(5) 0.4457(3) 0.056(2) Uani 1 1 d . . .
H51A H 0.2857 -0.0416 0.4663 0.067 Uiso 1 1 calc R . .
C513 C 0.1782(7) -0.1103(6) 0.4600(4) 0.075(3) Uani 1 1 d . . .
H51B H 0.1880 -0.1276 0.4898 0.090 Uiso 1 1 calc R . .
C514 C 0.1047(7) -0.1364(6) 0.4311(4) 0.079(3) Uani 1 1 d . . .
H51C H 0.0642 -0.1698 0.4419 0.094 Uiso 1 1 calc R . .
C515 C 0.0921(6) -0.1127(6) 0.3866(4) 0.069(3) Uani 1 1 d . . .
H51D H 0.0432 -0.1308 0.3664 0.082 Uiso 1 1 calc R . .
C516 C 0.1520(5) -0.0616(5) 0.3715(3) 0.055(2) Uani 1 1 d . . .
H51E H 0.1425 -0.0456 0.3411 0.066 Uiso 1 1 calc R . .
C521 C 0.3986(5) 0.0308(5) 0.4084(3) 0.0472(19) Uani 1 1 d . . .
C522 C 0.4417(6) 0.0895(6) 0.4443(3) 0.063(2) Uani 1 1 d . . .
H52A H 0.4142 0.1370 0.4584 0.075 Uiso 1 1 calc R . .
C523 C 0.5254(7) 0.0788(8) 0.4597(4) 0.083(3) Uani 1 1 d . . .
H52B H 0.5538 0.1191 0.4839 0.100 Uiso 1 1 calc R . .
C524 C 0.5660(7) 0.0097(9) 0.4395(5) 0.091(4) Uani 1 1 d . . .
H52C H 0.6222 0.0026 0.4500 0.109 Uiso 1 1 calc R . .
C525 C 0.5248(7) -0.0491(7) 0.4039(5) 0.084(3) Uani 1 1 d . . .
H52D H 0.5531 -0.0963 0.3900 0.100 Uiso 1 1 calc R . .
C526 C 0.4401(6) -0.0390(6) 0.3880(4) 0.062(2) Uani 1 1 d . . .
H52E H 0.4121 -0.0794 0.3637 0.074 Uiso 1 1 calc R . .
C611 C 0.0849(5) 0.1663(4) 0.4090(3) 0.0424(18) Uani 1 1 d . . .
C612 C 0.0604(6) 0.1093(5) 0.4360(3) 0.051(2) Uani 1 1 d . . .
H61A H 0.1018 0.0881 0.4540 0.062 Uiso 1 1 calc R . .
C613 C -0.0259(6) 0.0843(6) 0.4360(4) 0.067(3) Uani 1 1 d . . .
H61B H -0.0421 0.0458 0.4537 0.080 Uiso 1 1 calc R . .
C614 C -0.0869(6) 0.1162(6) 0.4102(4) 0.065(3) Uani 1 1 d . . .
H61C H -0.1445 0.0990 0.4103 0.078 Uiso 1 1 calc R . .
C615 C -0.0645(6) 0.1729(6) 0.3841(4) 0.063(2) Uani 1 1 d . . .
H61D H -0.1064 0.1946 0.3668 0.075 Uiso 1 1 calc R . .
C616 C 0.0216(5) 0.1978(5) 0.3840(3) 0.050(2) Uani 1 1 d . . .
H61E H 0.0369 0.2367 0.3665 0.060 Uiso 1 1 calc R . .
C621 C 0.2178(5) 0.2839(4) 0.4526(3) 0.0401(17) Uani 1 1 d . . .
C622 C 0.2926(6) 0.3289(5) 0.4488(3) 0.053(2) Uani 1 1 d . . .
H62A H 0.3303 0.3128 0.4215 0.063 Uiso 1 1 calc R . .
C623 C 0.3101(7) 0.3977(6) 0.4860(4) 0.070(3) Uani 1 1 d . . .
H62B H 0.3601 0.4277 0.4835 0.084 Uiso 1 1 calc R . .
C624 C 0.2571(7) 0.4227(6) 0.5258(4) 0.082(3) Uani 1 1 d . . .
H62C H 0.2703 0.4696 0.5503 0.099 Uiso 1 1 calc R . .
C625 C 0.1840(8) 0.3790(6) 0.5302(4) 0.083(3) Uani 1 1 d . . .
H62D H 0.1473 0.3958 0.5578 0.100 Uiso 1 1 calc R . .
C626 C 0.1640(6) 0.3091(6) 0.4932(4) 0.067(3) Uani 1 1 d . . .
H62E H 0.1139 0.2795 0.4962 0.081 Uiso 1 1 calc R . .
C711 C 0.2236(6) 0.0029(5) 0.0986(3) 0.054(2) Uani 1 1 d . . .
C712 C 0.1490(7) 0.0462(6) 0.1051(4) 0.071(3) Uani 1 1 d . . .
H71A H 0.1466 0.0927 0.1310 0.086 Uiso 1 1 calc R . .
C713 C 0.0768(8) 0.0206(9) 0.0730(5) 0.099(4) Uani 1 1 d . . .
H71B H 0.0262 0.0496 0.0775 0.119 Uiso 1 1 calc R . .
C714 C 0.0820(9) -0.0481(9) 0.0346(5) 0.108(5) Uani 1 1 d . . .
H71C H 0.0349 -0.0649 0.0126 0.129 Uiso 1 1 calc R . .
C715 C 0.1561(9) -0.0922(8) 0.0285(4) 0.100(4) Uani 1 1 d . . .
H71D H 0.1583 -0.1395 0.0033 0.120 Uiso 1 1 calc R . .
C716 C 0.2258(8) -0.0662(6) 0.0596(4) 0.076(3) Uani 1 1 d . . .
H71E H 0.2762 -0.0954 0.0546 0.092 Uiso 1 1 calc R . .
C721 C 0.3978(6) 0.0584(5) 0.1009(3) 0.057(2) Uani 1 1 d . . .
C722 C 0.4823(7) 0.0394(6) 0.1069(4) 0.070(3) Uani 1 1 d . . .
H72A H 0.4973 0.0132 0.1323 0.085 Uiso 1 1 calc R . .
C723 C 0.5456(8) 0.0596(7) 0.0748(5) 0.092(4) Uani 1 1 d . . .
H72B H 0.6029 0.0459 0.0786 0.110 Uiso 1 1 calc R . .
C724 C 0.5249(9) 0.0990(7) 0.0381(4) 0.100(5) Uani 1 1 d . . .
H72C H 0.5677 0.1124 0.0171 0.120 Uiso 1 1 calc R . .
C725 C 0.4421(10) 0.1186(7) 0.0324(4) 0.099(4) Uani 1 1 d . . .
H72D H 0.4276 0.1454 0.0072 0.118 Uiso 1 1 calc R . .
C726 C 0.3796(8) 0.0991(7) 0.0633(4) 0.083(3) Uani 1 1 d . . .
H72E H 0.3228 0.1137 0.0592 0.099 Uiso 1 1 calc R . .
C811 C 0.2445(5) -0.1460(4) 0.2024(3) 0.0450(19) Uani 1 1 d . . .
C812 C 0.2058(7) -0.1707(6) 0.2432(4) 0.067(3) Uani 1 1 d . . .
H81A H 0.2218 -0.1458 0.2768 0.080 Uiso 1 1 calc R . .
C813 C 0.1442(8) -0.2315(6) 0.2344(5) 0.084(3) Uani 1 1 d . . .
H81B H 0.1193 -0.2475 0.2621 0.101 Uiso 1 1 calc R . .
C814 C 0.1186(8) -0.2690(7) 0.1851(5) 0.087(3) Uani 1 1 d . . .
H81C H 0.0758 -0.3091 0.1793 0.105 Uiso 1 1 calc R . .
C815 C 0.1572(8) -0.2461(7) 0.1452(5) 0.088(3) Uani 1 1 d . . .
H81D H 0.1418 -0.2720 0.1117 0.106 Uiso 1 1 calc R . .
C816 C 0.2192(7) -0.1850(6) 0.1535(4) 0.068(3) Uani 1 1 d . . .
H81E H 0.2442 -0.1699 0.1256 0.082 Uiso 1 1 calc R . .
C821 C 0.4234(5) -0.1225(4) 0.2274(3) 0.0449(19) Uani 1 1 d . . .
C822 C 0.4916(7) -0.0837(6) 0.2573(5) 0.078(3) Uani 1 1 d . . .
H82A H 0.4891 -0.0291 0.2714 0.094 Uiso 1 1 calc R . .
C823 C 0.5634(7) -0.1245(7) 0.2668(5) 0.097(4) Uani 1 1 d . . .
H82B H 0.6083 -0.0976 0.2876 0.116 Uiso 1 1 calc R . .
C824 C 0.5681(7) -0.2047(7) 0.2455(5) 0.084(3) Uani 1 1 d . . .
H82C H 0.6167 -0.2323 0.2516 0.101 Uiso 1 1 calc R . .
C825 C 0.5029(7) -0.2437(7) 0.2158(5) 0.094(4) Uani 1 1 d . . .
H82D H 0.5064 -0.2981 0.2012 0.113 Uiso 1 1 calc R . .
C826 C 0.4314(7) -0.2035(6) 0.2072(4) 0.073(3) Uani 1 1 d . . .
H82E H 0.3865 -0.2316 0.1869 0.087 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
P6 Ag1 P3 122.27(7) . . ?
P6 Ag1 C21 114.18(18) . . ?
P3 Ag1 C21 106.79(17) . . ?
P6 Ag1 Cu2 147.55(6) . . ?
P3 Ag1 Cu2 90.06(5) . . ?
C21 Ag1 Cu2 45.47(18) . . ?
P6 Ag1 Ag2 86.33(5) . . ?
P3 Ag1 Ag2 151.36(5) . . ?
C21 Ag1 Ag2 56.29(17) . . ?
Cu2 Ag1 Ag2 61.48(2) . . ?
C1 Ag2 C11 99.8(3) . . ?
C1 Ag2 P5 124.68(19) . . ?
C11 Ag2 P5 124.5(2) . . ?
C1 Ag2 Cu1 49.11(19) . . ?
C11 Ag2 Cu1 50.87(19) . . ?
P5 Ag2 Cu1 155.15(6) . . ?
C1 Ag2 C21 96.3(2) . . ?
C11 Ag2 C21 83.5(3) . . ?
P5 Ag2 C21 118.01(18) . . ?
Cu1 Ag2 C21 86.66(17) . . ?
C1 Ag2 Cu2 88.39(18) . . ?
C11 Ag2 Cu2 44.39(19) . . ?
P5 Ag2 Cu2 146.11(6) . . ?
Cu1 Ag2 Cu2 52.47(3) . . ?
C21 Ag2 Cu2 42.12(17) . . ?
C1 Ag2 Ag1 141.69(18) . . ?
C11 Ag2 Ag1 60.0(2) . . ?
P5 Ag2 Ag1 92.20(5) . . ?
Cu1 Ag2 Ag1 101.77(3) . . ?
C21 Ag2 Ag1 52.24(16) . . ?
Cu2 Ag2 Ag1 53.98(2) . . ?
C1 Ag2 Ag4 50.76(18) . . ?
C11 Ag2 Ag4 90.67(19) . . ?
P5 Ag2 Ag4 142.10(6) . . ?
Cu1 Ag2 Ag4 57.78(2) . . ?
C21 Ag2 Ag4 45.58(16) . . ?
Cu2 Ag2 Ag4 52.15(2) . . ?
Ag1 Ag2 Ag4 94.53(2) . . ?
P8 Ag3 P2 126.97(7) . . ?
P8 Ag3 C31 119.00(17) . . ?
P2 Ag3 C31 101.05(17) . . ?
P8 Ag3 Cu1 146.03(5) . . ?
P2 Ag3 Cu1 87.00(5) . . ?
C31 Ag3 Cu1 42.94(16) . . ?
P8 Ag3 Ag4 86.73(5) . . ?
P2 Ag3 Ag4 145.88(5) . . ?
C31 Ag3 Ag4 50.41(16) . . ?
Cu1 Ag3 Ag4 59.59(2) . . ?
C21 Ag4 P7 120.48(19) . . ?
C21 Ag4 C31 96.9(2) . . ?
P7 Ag4 C31 125.62(18) . . ?
C21 Ag4 C1 100.7(2) . . ?
P7 Ag4 C1 120.21(18) . . ?
C31 Ag4 C1 85.3(2) . . ?
C21 Ag4 Cu2 46.68(19) . . ?
P7 Ag4 Cu2 149.44(6) . . ?
C31 Ag4 Cu2 50.51(16) . . ?
C1 Ag4 Cu2 90.34(18) . . ?
C21 Ag4 Cu1 88.21(19) . . ?
P7 Ag4 Cu1 151.27(6) . . ?
C31 Ag4 Cu1 43.60(17) . . ?
C1 Ag4 Cu1 45.15(18) . . ?
Cu2 Ag4 Cu1 52.77(3) . . ?
C21 Ag4 Ag3 146.34(19) . . ?
P7 Ag4 Ag3 93.12(5) . . ?
C31 Ag4 Ag3 57.60(17) . . ?
C1 Ag4 Ag3 59.19(17) . . ?
Cu2 Ag4 Ag3 103.11(3) . . ?
Cu1 Ag4 Ag3 58.29(2) . . ?
C21 Ag4 Ag2 54.51(18) . . ?
P7 Ag4 Ag2 143.56(6) . . ?
C31 Ag4 Ag2 89.66(17) . . ?
C1 Ag4 Ag2 46.19(17) . . ?
Cu2 Ag4 Ag2 58.88(2) . . ?
Cu1 Ag4 Ag2 51.36(2) . . ?
Ag3 Ag4 Ag2 100.14(3) . . ?
C31 Cu1 C1 107.9(3) . . ?
C31 Cu1 C11 105.0(3) . . ?
C1 Cu1 C11 114.5(3) . . ?
C31 Cu1 P1 121.3(2) . . ?
C1 Cu1 P1 107.7(2) . . ?
C11 Cu1 P1 100.7(2) . . ?
C31 Cu1 Cu2 57.3(2) . . ?
C1 Cu1 Cu2 107.6(2) . . ?
C11 Cu1 Cu2 52.4(2) . . ?
P1 Cu1 Cu2 142.50(7) . . ?
C31 Cu1 Ag2 117.1(2) . . ?
C1 Cu1 Ag2 57.4(2) . . ?
C11 Cu1 Ag2 57.3(2) . . ?
P1 Cu1 Ag2 121.32(6) . . ?
Cu2 Cu1 Ag2 69.77(3) . . ?
C31 Cu1 Ag3 62.68(19) . . ?
C1 Cu1 Ag3 64.9(2) . . ?
C11 Cu1 Ag3 164.9(2) . . ?
P1 Cu1 Ag3 93.52(5) . . ?
Cu2 Cu1 Ag3 112.72(4) . . ?
Ag2 Cu1 Ag3 118.72(4) . . ?
C31 Cu1 Ag4 55.2(2) . . ?
C1 Cu1 Ag4 58.0(2) . . ?
C11 Cu1 Ag4 104.2(2) . . ?
P1 Cu1 Ag4 154.84(6) . . ?
Cu2 Cu1 Ag4 60.33(3) . . ?
Ag2 Cu1 Ag4 70.86(3) . . ?
Ag3 Cu1 Ag4 62.12(2) . . ?
C21 Cu2 C11 109.1(3) . . ?
C21 Cu2 C31 113.1(3) . . ?
C11 Cu2 C31 101.6(3) . . ?
C21 Cu2 P4 117.2(2) . . ?
C11 Cu2 P4 115.6(2) . . ?
C31 Cu2 P4 98.78(19) . . ?
C21 Cu2 Cu1 107.0(2) . . ?
C11 Cu2 Cu1 55.8(2) . . ?
C31 Cu2 Cu1 50.22(19) . . ?
P4 Cu2 Cu1 134.11(7) . . ?
C21 Cu2 Ag1 62.4(2) . . ?
C11 Cu2 Ag1 68.7(2) . . ?
C31 Cu2 Ag1 165.23(18) . . ?
P4 Cu2 Ag1 95.57(6) . . ?
Cu1 Cu2 Ag1 116.11(4) . . ?
C21 Cu2 Ag4 56.6(2) . . ?
C11 Cu2 Ag4 112.6(2) . . ?
C31 Cu2 Ag4 56.99(18) . . ?
P4 Cu2 Ag4 129.54(6) . . ?
Cu1 Cu2 Ag4 66.90(3) . . ?
Ag1 Cu2 Ag4 115.22(4) . . ?
C21 Cu2 Ag2 61.3(2) . . ?
C11 Cu2 Ag2 52.5(2) . . ?
C31 Cu2 Ag2 100.77(18) . . ?
P4 Cu2 Ag2 158.93(6) . . ?
Cu1 Cu2 Ag2 57.76(3) . . ?
Ag1 Cu2 Ag2 64.55(3) . . ?
Ag4 Cu2 Ag2 68.96(3) . . ?
O13 Cl1 O11 97.7(12) . . ?
O13 Cl1 O13' 79(2) . . ?
O11 Cl1 O13' 85.7(16) . . ?
O13 Cl1 O12 172.2(13) . . ?
O11 Cl1 O12 90.1(10) . . ?
O13' Cl1 O12 101.4(19) . . ?
O13 Cl1 O14' 88.5(13) . . ?
O11 Cl1 O14' 170.6(13) . . ?
O13' Cl1 O14' 88.5(17) . . ?
O12 Cl1 O14' 83.7(12) . . ?
O13 Cl1 O14 85.3(18) . . ?
O11 Cl1 O14 99.8(13) . . ?
O13' Cl1 O14 164(2) . . ?
O12 Cl1 O14 93.4(16) . . ?
O14' Cl1 O14 87.8(15) . . ?
O24 Cl2 O22 106.4(14) . . ?
O24 Cl2 O21 100.1(10) . . ?
O22 Cl2 O21 99.6(8) . . ?
O24 Cl2 O23 153.2(15) . . ?
O22 Cl2 O23 89.5(12) . . ?
O21 Cl2 O23 98.3(10) . . ?
O24 Cl2 O24' 67.3(16) . . ?
O22 Cl2 O24' 88.4(11) . . ?
O21 Cl2 O24' 166.8(15) . . ?
O23 Cl2 O24' 92.3(19) . . ?
O24 Cl2 O23' 86.5(16) . . ?
O22 Cl2 O23' 156.6(15) . . ?
O21 Cl2 O23' 97.1(10) . . ?
O23 Cl2 O23' 72.0(14) . . ?
O24' Cl2 O23' 78.6(14) . . ?
N3 P1 C621 101.0(3) . . ?
N3 P1 C611 106.1(3) . . ?
C621 P1 C611 105.1(3) . . ?
N3 P1 Cu1 113.8(2) . . ?
C621 P1 Cu1 116.6(2) . . ?
C611 P1 Cu1 113.0(3) . . ?
N3 P2 C511 103.6(3) . . ?
N3 P2 C521 103.5(4) . . ?
C511 P2 C521 103.8(4) . . ?
N3 P2 Ag3 114.8(2) . . ?
C511 P2 Ag3 115.3(3) . . ?
C521 P2 Ag3 114.4(3) . . ?
N2 P3 C321 103.7(4) . . ?
N2 P3 C311 104.3(4) . . ?
C321 P3 C311 102.8(4) . . ?
N2 P3 Ag1 112.4(2) . . ?
C321 P3 Ag1 114.0(3) . . ?
C311 P3 Ag1 118.1(3) . . ?
N2 P4 C411 101.6(3) . . ?
N2 P4 C421 102.9(3) . . ?
C411 P4 C421 104.5(4) . . ?
N2 P4 Cu2 115.9(2) . . ?
C411 P4 Cu2 111.0(3) . . ?
C421 P4 Cu2 119.0(3) . . ?
N1 P5 C121 101.3(4) . . ?
N1 P5 C111 106.3(4) . . ?
C121 P5 C111 103.9(4) . . ?
N1 P5 Ag2 115.1(2) . . ?
C121 P5 Ag2 115.3(3) . . ?
C111 P5 Ag2 113.5(3) . . ?
N1 P6 C221 105.8(4) . . ?
N1 P6 C211 103.4(4) . . ?
C221 P6 C211 103.5(4) . . ?
N1 P6 Ag1 118.9(2) . . ?
C221 P6 Ag1 112.7(3) . . ?
C211 P6 Ag1 111.1(3) . . ?
N4 P7 C711 107.2(4) . . ?
N4 P7 C721 102.7(4) . . ?
C711 P7 C721 101.7(4) . . ?
N4 P7 Ag4 114.1(2) . . ?
C711 P7 Ag4 111.9(3) . . ?
C721 P7 Ag4 117.9(3) . . ?
N4 P8 C811 105.8(3) . . ?
N4 P8 C821 101.8(3) . . ?
C811 P8 C821 102.1(4) . . ?
N4 P8 Ag3 116.5(2) . . ?
C811 P8 Ag3 113.3(3) . . ?
C821 P8 Ag3 115.6(3) . . ?
C033 O02 C031 85.6(19) . . ?
Cl1 O13 O13' 51.1(12) . . ?
Cl1 O13' O13 49.5(13) . . ?
Cl2 O23 O23' 54.9(10) . . ?
Cl2 O23' O23 53.1(9) . . ?
Cl2 O24 O24' 58.1(10) . . ?
Cl2 O24' O24 54.6(12) . . ?
P6 N1 P5 127.3(4) . . ?
P3 N2 P4 125.9(4) . . ?
P2 N3 P1 122.7(4) . . ?
P8 N4 P7 125.2(4) . . ?
N01 C01 C02 177(2) . . ?
C2 C1 Cu1 152.2(7) . . ?
C2 C1 Ag2 127.9(6) . . ?
Cu1 C1 Ag2 73.4(2) . . ?
C2 C1 Ag4 119.2(6) . . ?
Cu1 C1 Ag4 76.8(2) . . ?
Ag2 C1 Ag4 83.1(2) . . ?
C1 C2 C3 174.1(9) . . ?
C8 C3 C4 118.5(9) . . ?
C8 C3 C2 121.0(9) . . ?
C4 C3 C2 120.5(9) . . ?
C5 C4 C3 120.0(13) . . ?
C6 C5 C4 123.3(15) . . ?
C5 C6 C7 118.3(11) . . ?
C5 C6 C9 124.7(18) . . ?
C7 C6 C9 116.9(18) . . ?
C6 C7 C8 119.8(13) . . ?
C3 C8 C7 120.0(11) . . ?
N011 C011 C012 160(3) . . ?
C12 C11 Cu2 137.0(7) . . ?
C12 C11 Cu1 139.6(7) . . ?
Cu2 C11 Cu1 71.8(2) . . ?
C12 C11 Ag2 128.1(6) . . ?
Cu2 C11 Ag2 83.2(3) . . ?
Cu1 C11 Ag2 71.8(2) . . ?
C11 C12 C13 174.4(9) . . ?
C14 C13 C18 117.5(9) . . ?
C14 C13 C12 120.9(9) . . ?
C18 C13 C12 121.6(9) . . ?
C13 C14 C15 121.4(12) . . ?
C16 C15 C14 120.7(13) . . ?
C15 C16 C17 118.7(11) . . ?
C15 C16 C19 121.2(16) . . ?
C17 C16 C19 120.1(17) . . ?
C16 C17 C18 120.9(14) . . ?
C13 C18 C17 120.8(12) . . ?
N021 C021 C022 166(5) . . ?
C22 C21 Cu2 168.2(7) . . ?
C22 C21 Ag4 114.9(6) . . ?
Cu2 C21 Ag4 76.7(3) . . ?
C22 C21 Ag1 97.8(6) . . ?
Cu2 C21 Ag1 72.1(2) . . ?
Ag4 C21 Ag1 141.6(3) . . ?
C22 C21 Ag2 106.6(6) . . ?
Cu2 C21 Ag2 76.6(2) . . ?
Ag4 C21 Ag2 79.9(2) . . ?
Ag1 C21 Ag2 71.47(19) . . ?
C21 C22 C23 179.2(10) . . ?
C28 C23 C24 118.0(10) . . ?
C28 C23 C22 120.9(10) . . ?
C24 C23 C22 121.1(9) . . ?
C25 C24 C23 121.3(12) . . ?
C26 C25 C24 122.5(14) . . ?
C25 C26 C27 116.8(13) . . ?
C25 C26 C29 121.0(17) . . ?
C27 C26 C29 122.0(17) . . ?
C26 C27 C28 122.7(16) . . ?
C23 C28 C27 118.7(14) . . ?
C32 C31 Cu1 156.5(6) . . ?
C32 C31 Cu2 130.6(6) . . ?
Cu1 C31 Cu2 72.4(2) . . ?
C32 C31 Ag4 108.3(6) . . ?
Cu1 C31 Ag4 81.2(2) . . ?
Cu2 C31 Ag4 72.5(2) . . ?
C32 C31 Ag3 87.9(5) . . ?
Cu1 C31 Ag3 74.4(2) . . ?
Cu2 C31 Ag3 134.2(3) . . ?
Ag4 C31 Ag3 71.99(18) . . ?
C032 C031 O02 87(2) . . ?
C31 C32 C33 175.0(8) . . ?
C38 C33 C34 117.9(7) . . ?
C38 C33 C32 122.0(8) . . ?
C34 C33 C32 120.1(7) . . ?
C034 C033 O02 92.6(19) . . ?
C35 C34 C33 120.1(8) . . ?
C36 C35 C34 122.0(9) . . ?
C35 C36 C37 117.8(8) . . ?
C35 C36 C39 121.8(10) . . ?
C37 C36 C39 120.3(10) . . ?
C38 C37 C36 121.1(9) . . ?
C37 C38 C33 121.0(9) . . ?
C112 C111 C116 119.5(8) . . ?
C112 C111 P5 122.7(7) . . ?
C116 C111 P5 117.8(6) . . ?
C111 C112 C113 119.1(9) . . ?
C114 C113 C112 121.5(10) . . ?
C115 C114 C113 118.8(10) . . ?
C114 C115 C116 121.0(10) . . ?
C115 C116 C111 120.0(9) . . ?
C126 C121 C122 118.0(8) . . ?
C126 C121 P5 117.6(6) . . ?
C122 C121 P5 124.4(7) . . ?
C123 C122 C121 120.4(9) . . ?
C124 C123 C122 120.1(10) . . ?
C123 C124 C125 120.4(10) . . ?
C124 C125 C126 120.0(11) . . ?
C121 C126 C125 121.0(9) . . ?
C216 C211 C212 119.3(10) . . ?
C216 C211 P6 116.6(7) . . ?
C212 C211 P6 124.0(9) . . ?
C211 C212 C213 118.2(13) . . ?
C214 C213 C212 122.0(12) . . ?
C213 C214 C215 120.1(12) . . ?
C214 C215 C216 121.2(13) . . ?
C211 C216 C215 119.2(10) . . ?
C222 C221 C226 117.0(10) . . ?
C222 C221 P6 118.6(7) . . ?
C226 C221 P6 124.4(8) . . ?
C221 C222 C223 121.3(11) . . ?
C224 C223 C222 121.5(12) . . ?
C223 C224 C225 118.2(12) . . ?
C224 C225 C226 122.0(14) . . ?
C221 C226 C225 119.9(13) . . ?
C316 C311 C312 118.1(8) . . ?
C316 C311 P3 119.8(7) . . ?
C312 C311 P3 122.1(7) . . ?
C311 C312 C313 121.0(11) . . ?
C314 C313 C312 119.2(11) . . ?
C315 C314 C313 120.2(10) . . ?
C314 C315 C316 120.4(11) . . ?
C311 C316 C315 121.1(10) . . ?
C326 C321 C322 117.4(9) . . ?
C326 C321 P3 119.3(7) . . ?
C322 C321 P3 123.2(7) . . ?
C321 C322 C323 121.6(10) . . ?
C324 C323 C322 118.9(10) . . ?
C323 C324 C325 121.1(12) . . ?
C326 C325 C324 118.6(13) . . ?
C321 C326 C325 122.3(12) . . ?
C416 C411 C412 118.7(8) . . ?
C416 C411 P4 124.3(7) . . ?
C412 C411 P4 116.7(6) . . ?
C413 C412 C411 120.8(8) . . ?
C414 C413 C412 120.9(9) . . ?
C413 C414 C415 119.5(10) . . ?
C414 C415 C416 121.0(10) . . ?
C411 C416 C415 119.0(10) . . ?
C426 C421 C422 118.2(8) . . ?
C426 C421 P4 123.0(7) . . ?
C422 C421 P4 118.7(6) . . ?
C423 C422 C421 121.5(8) . . ?
C424 C423 C422 118.3(9) . . ?
C425 C424 C423 121.6(9) . . ?
C424 C425 C426 120.3(9) . . ?
C421 C426 C425 120.2(9) . . ?
C512 C511 C516 117.5(8) . . ?
C512 C511 P2 123.7(6) . . ?
C516 C511 P2 118.1(6) . . ?
C513 C512 C511 120.7(9) . . ?
C512 C513 C514 121.4(10) . . ?
C515 C514 C513 119.1(9) . . ?
C514 C515 C516 120.1(9) . . ?
C511 C516 C515 121.3(9) . . ?
C526 C521 C522 118.8(8) . . ?
C526 C521 P2 117.8(7) . . ?
C522 C521 P2 123.2(7) . . ?
C521 C522 C523 120.9(10) . . ?
C524 C523 C522 120.0(11) . . ?
C523 C524 C525 120.2(10) . . ?
C524 C525 C526 120.3(10) . . ?
C521 C526 C525 119.7(10) . . ?
C616 C611 C612 118.4(8) . . ?
C616 C611 P1 118.8(6) . . ?
C612 C611 P1 122.7(6) . . ?
C613 C612 C611 119.9(8) . . ?
C614 C613 C612 120.1(9) . . ?
C613 C614 C615 120.9(9) . . ?
C614 C615 C616 119.1(9) . . ?
C611 C616 C615 121.6(8) . . ?
C626 C621 C622 119.0(8) . . ?
C626 C621 P1 124.3(6) . . ?
C622 C621 P1 116.7(6) . . ?
C623 C622 C621 119.1(8) . . ?
C624 C623 C622 122.0(10) . . ?
C623 C624 C625 119.6(9) . . ?
C624 C625 C626 120.0(10) . . ?
C621 C626 C625 120.3(9) . . ?
C712 C711 C716 118.7(9) . . ?
C712 C711 P7 117.8(7) . . ?
C716 C711 P7 123.4(8) . . ?
C711 C712 C713 120.4(11) . . ?
C714 C713 C712 118.9(12) . . ?
C715 C714 C713 120.8(11) . . ?
C716 C715 C714 119.6(12) . . ?
C715 C716 C711 121.6(11) . . ?
C722 C721 C726 117.5(9) . . ?
C722 C721 P7 121.7(7) . . ?
C726 C721 P7 120.7(8) . . ?
C721 C722 C723 119.7(11) . . ?
C724 C723 C722 120.9(13) . . ?
C725 C724 C723 119.7(11) . . ?
C724 C725 C726 120.0(12) . . ?
C725 C726 C721 122.2(12) . . ?
C816 C811 C812 117.6(8) . . ?
C816 C811 P8 124.6(6) . . ?
C812 C811 P8 117.8(7) . . ?
C813 C812 C811 120.7(10) . . ?
C812 C813 C814 120.8(10) . . ?
C815 C814 C813 118.8(10) . . ?
C814 C815 C816 120.9(11) . . ?
C811 C816 C815 121.2(9) . . ?
C822 C821 C826 116.6(8) . . ?
C822 C821 P8 120.1(7) . . ?
C826 C821 P8 123.3(7) . . ?
C821 C822 C823 121.2(9) . . ?
C824 C823 C822 119.7(10) . . ?
C825 C824 C823 120.2(10) . . ?
C824 C825 C826 120.0(11) . . ?
C825 C826 C821 122.3(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P6 2.457(2) . ?
Ag1 P3 2.492(2) . ?
Ag1 C21 2.566(7) . ?
Ag1 Cu2 2.7570(10) . ?
Ag1 Ag2 3.0778(9) . ?
Ag2 C1 2.374(8) . ?
Ag2 C11 2.392(8) . ?
Ag2 P5 2.395(2) . ?
Ag2 Cu1 2.6997(10) . ?
Ag2 C21 2.700(7) . ?
Ag2 Cu2 2.9950(11) . ?
Ag2 Ag4 3.2652(10) . ?
Ag3 P8 2.480(2) . ?
Ag3 P2 2.4869(19) . ?
Ag3 C31 2.661(7) . ?
Ag3 Cu1 2.8846(10) . ?
Ag3 Ag4 2.9973(9) . ?
Ag4 C21 2.369(8) . ?
Ag4 P7 2.384(2) . ?
Ag4 C31 2.429(7) . ?
Ag4 C1 2.548(8) . ?
Ag4 Cu2 2.7625(11) . ?
Ag4 Cu1 2.9243(11) . ?
Cu1 C31 2.040(7) . ?
Cu1 C1 2.129(8) . ?
Cu1 C11 2.204(8) . ?
Cu1 P1 2.264(2) . ?
Cu1 Cu2 2.5315(12) . ?
Cu2 C21 2.065(8) . ?
Cu2 C11 2.110(8) . ?
Cu2 C31 2.235(7) . ?
Cu2 P4 2.263(2) . ?
Cl1 O13 1.398(19) . ?
Cl1 O11 1.422(13) . ?
Cl1 O13' 1.43(2) . ?
Cl1 O12 1.443(16) . ?
Cl1 O14' 1.449(16) . ?
Cl1 O14 1.526(19) . ?
Cl2 O24 1.408(15) . ?
Cl2 O22 1.420(12) . ?
Cl2 O21 1.458(8) . ?
Cl2 O23 1.462(17) . ?
Cl2 O24' 1.47(2) . ?
Cl2 O23' 1.495(18) . ?
P1 N3 1.690(6) . ?
P1 C621 1.811(8) . ?
P1 C611 1.825(8) . ?
P2 N3 1.679(6) . ?
P2 C511 1.811(8) . ?
P2 C521 1.815(8) . ?
P3 N2 1.675(6) . ?
P3 C321 1.807(9) . ?
P3 C311 1.821(8) . ?
P4 N2 1.687(6) . ?
P4 C411 1.816(8) . ?
P4 C421 1.831(8) . ?
P5 N1 1.685(7) . ?
P5 C121 1.816(8) . ?
P5 C111 1.817(9) . ?
P6 N1 1.678(7) . ?
P6 C221 1.811(8) . ?
P6 C211 1.828(10) . ?
P7 N4 1.685(7) . ?
P7 C711 1.819(9) . ?
P7 C721 1.823(9) . ?
P8 N4 1.681(6) . ?
P8 C811 1.813(8) . ?
P8 C821 1.829(8) . ?
O02 C033 1.573(5) . ?
O02 C031 1.578(5) . ?
O13 O13' 1.81(4) . ?
O23 O23' 1.74(3) . ?
O24 O24' 1.59(4) . ?
N01 C01 1.11(2) . ?
N011 C011 1.204(5) . ?
N021 C021 1.205(5) . ?
C01 C02 1.43(2) . ?
C1 C2 1.178(10) . ?
C2 C3 1.449(11) . ?
C3 C8 1.374(13) . ?
C3 C4 1.390(13) . ?
C4 C5 1.373(16) . ?
C5 C6 1.32(2) . ?
C6 C7 1.41(2) . ?
C6 C9 1.514(17) . ?
C7 C8 1.409(15) . ?
C011 C012 1.455(5) . ?
C11 C12 1.210(10) . ?
C12 C13 1.434(11) . ?
C13 C14 1.380(13) . ?
C13 C18 1.385(13) . ?
C14 C15 1.389(16) . ?
C15 C16 1.37(2) . ?
C16 C17 1.37(2) . ?
C16 C19 1.539(16) . ?
C17 C18 1.393(15) . ?
C021 C022 1.454(5) . ?
C21 C22 1.175(10) . ?
C22 C23 1.447(12) . ?
C23 C28 1.360(16) . ?
C23 C24 1.367(14) . ?
C24 C25 1.359(15) . ?
C25 C26 1.34(2) . ?
C26 C27 1.35(2) . ?
C26 C29 1.550(19) . ?
C27 C28 1.408(19) . ?
C31 C32 1.213(10) . ?
C031 C032 1.517(5) . ?
C32 C33 1.441(10) . ?
C33 C38 1.387(12) . ?
C33 C34 1.395(11) . ?
C033 C034 1.515(5) . ?
C34 C35 1.390(12) . ?
C35 C36 1.366(13) . ?
C36 C37 1.392(14) . ?
C36 C39 1.509(13) . ?
C37 C38 1.381(12) . ?
C111 C112 1.376(11) . ?
C111 C116 1.387(12) . ?
C112 C113 1.391(14) . ?
C113 C114 1.368(15) . ?
C114 C115 1.366(14) . ?
C115 C116 1.380(13) . ?
C121 C126 1.372(13) . ?
C121 C122 1.393(11) . ?
C122 C123 1.384(13) . ?
C123 C124 1.352(15) . ?
C124 C125 1.363(15) . ?
C125 C126 1.380(14) . ?
C211 C216 1.373(13) . ?
C211 C212 1.390(13) . ?
C212 C213 1.404(18) . ?
C213 C214 1.330(19) . ?
C214 C215 1.330(17) . ?
C215 C216 1.405(14) . ?
C221 C222 1.352(13) . ?
C221 C226 1.363(15) . ?
C222 C223 1.386(14) . ?
C223 C224 1.308(17) . ?
C224 C225 1.34(2) . ?
C225 C226 1.384(19) . ?
C311 C316 1.357(12) . ?
C311 C312 1.357(13) . ?
C312 C313 1.388(14) . ?
C313 C314 1.367(16) . ?
C314 C315 1.323(16) . ?
C315 C316 1.384(14) . ?
C321 C326 1.357(15) . ?
C321 C322 1.376(12) . ?
C322 C323 1.382(14) . ?
C323 C324 1.344(17) . ?
C324 C325 1.374(19) . ?
C325 C326 1.370(17) . ?
C411 C416 1.379(11) . ?
C411 C412 1.391(11) . ?
C412 C413 1.367(12) . ?
C413 C414 1.350(14) . ?
C414 C415 1.369(16) . ?
C415 C416 1.402(14) . ?
C421 C426 1.378(11) . ?
C421 C422 1.385(11) . ?
C422 C423 1.380(12) . ?
C423 C424 1.368(13) . ?
C424 C425 1.343(14) . ?
C425 C426 1.381(13) . ?
C511 C512 1.386(11) . ?
C511 C516 1.387(11) . ?
C512 C513 1.364(13) . ?
C513 C514 1.374(15) . ?
C514 C515 1.362(15) . ?
C515 C516 1.387(12) . ?
C521 C526 1.375(12) . ?
C521 C522 1.376(12) . ?
C522 C523 1.382(13) . ?
C523 C524 1.357(16) . ?
C524 C525 1.360(16) . ?
C525 C526 1.400(13) . ?
C611 C616 1.372(11) . ?
C611 C612 1.395(11) . ?
C612 C613 1.388(12) . ?
C613 C614 1.365(14) . ?
C614 C615 1.365(13) . ?
C615 C616 1.386(12) . ?
C621 C626 1.366(11) . ?
C621 C622 1.391(11) . ?
C622 C623 1.378(12) . ?
C623 C624 1.342(14) . ?
C624 C625 1.360(15) . ?
C625 C626 1.395(13) . ?
C711 C712 1.375(13) . ?
C711 C716 1.389(13) . ?
C712 C713 1.402(15) . ?
C713 C714 1.378(18) . ?
C714 C715 1.377(18) . ?
C715 C716 1.358(15) . ?
C721 C722 1.369(14) . ?
C721 C726 1.386(13) . ?
C722 C723 1.395(14) . ?
C723 C724 1.361(18) . ?
C724 C725 1.346(18) . ?
C725 C726 1.361(15) . ?
C811 C816 1.374(12) . ?
C811 C812 1.395(12) . ?
C812 C813 1.373(13) . ?
C813 C814 1.380(15) . ?
C814 C815 1.358(16) . ?
C815 C816 1.382(13) . ?
C821 C822 1.379(12) . ?
C821 C826 1.381(12) . ?
C822 C823 1.380(14) . ?
C823 C824 1.369(15) . ?
C824 C825 1.344(15) . ?
C825 C826 1.362(14) . ?
