#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/10/4311091.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_4311091
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            'C132.25 H116.5 Ag6 Cl2.5 Cu2 N O10 P6'
_chemical_formula_weight         2928.51
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.02
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.2670(4)
_cell_length_b                   20.2672(4)
_cell_length_c                   26.9231(4)
_cell_measurement_reflns_used    6992
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      1.10
_cell_volume                     13787.1(4)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0644
_diffrn_reflns_av_sigmaI/netI    0.0691
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37395
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.306
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .5625
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5878
_exptl_crystal_size_max          .92
_exptl_crystal_size_mid          .48
_exptl_crystal_size_min          .40
_refine_diff_density_max         1.274
_refine_diff_density_min         -1.625
_refine_diff_density_rms         0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.229
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1416
_refine_ls_number_reflns         18029
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.229
_refine_ls_R_factor_all          0.1487
_refine_ls_R_factor_gt           0.0879
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1062P)²+162.6704P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2220
_refine_ls_wR_factor_ref         0.2945
_reflns_number_gt                11498
_reflns_number_total             18029
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0499244si20040118_090610_4.cif
_cod_data_source_block           4(Compound4)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        'C132.25 H116.50 Ag6 Cl2.50 Cu2 N O10 P6'
_cod_database_code               4311091
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 0.75469(5) 0.90014(6) 0.16002(5) 0.0606(4) Uani 1 1 d . . .
Ag2 Ag 0.80490(5) 0.77955(6) 0.21614(5) 0.0569(4) Uani 1 1 d . . .
Ag3 Ag 0.89335(5) 0.86930(7) 0.07004(5) 0.0632(4) Uani 1 1 d . . .
Ag4 Ag 0.94867(6) 0.75224(8) 0.11232(5) 0.0734(4) Uani 1 1 d . . .
Ag5 Ag 0.91682(5) 0.87780(7) 0.24645(5) 0.0644(4) Uani 1 1 d . . .
Ag6 Ag 0.98417(6) 0.75459(7) 0.26834(5) 0.0712(4) Uani 1 1 d . . .
Cu1 Cu 0.86096(8) 0.89571(9) 0.15852(7) 0.0520(5) Uani 1 1 d . . .
Cu2 Cu 0.90516(7) 0.74725(9) 0.20283(7) 0.0509(5) Uani 1 1 d . . .
Cl1 Cl 1.0195(3) 0.6630(4) -0.1685(3) 0.114(2) Uani 1 1 d . . .
Cl01 Cl 0.829(3) 0.781(4) 0.698(3) 0.36(4) Uiso 0.25 1 d PD . .
Cl2 Cl 1.1673(4) 1.0152(6) 0.4178(5) 0.171(4) Uani 1 1 d . . .
Cl02 Cl 0.873(3) 0.672(3) 0.746(2) 0.29(3) Uiso 0.25 1 d PD . .
P1 P 0.67085(17) 0.8866(2) 0.19823(17) 0.0559(11) Uani 1 1 d . . .
P2 P 0.71277(16) 0.75279(19) 0.23236(15) 0.0470(9) Uani 1 1 d . . .
P3 P 0.92290(17) 0.8412(2) -0.01210(15) 0.0523(10) Uani 1 1 d . . .
P4 P 0.97206(17) 0.7137(2) 0.03057(15) 0.0535(10) Uani 1 1 d . . .
P5 P 0.98248(17) 0.9444(2) 0.28982(16) 0.0538(10) Uani 1 1 d . . .
P6 P 1.05103(17) 0.8206(2) 0.30852(16) 0.0560(11) Uani 1 1 d . . .
O1 O 0.9808(9) 0.6942(14) -0.1411(8) 0.196(11) Uani 1 1 d . . .
O01 O 0.9277(18) 0.759(2) 0.5713(18) 0.171(16) Uiso 0.50 1 d PD . .
O2 O 1.0558(11) 0.7000(14) -0.1877(13) 0.234(15) Uani 1 1 d . . .
O02 O 0.629(3) 0.862(3) 0.896(2) 0.25(3) Uiso 0.50 1 d PD . .
O3 O 1.0419(17) 0.6173(14) -0.1409(9) 0.30(2) Uani 1 1 d . . .
O03 O 0.659(3) 0.976(4) 0.805(3) 0.27(3) Uiso 0.50 1 d P . .
O4 O 0.9995(13) 0.635(2) -0.2107(10) 0.30(2) Uani 1 1 d . . .
O04 O 0.8008(16) 0.929(2) 0.7193(15) 0.155(14) Uiso 0.50 1 d P . .
O5 O 1.1742(17) 0.962(2) 0.4586(17) 0.32(2) Uiso 1 1 d . . .
O6 O 1.2119(19) 1.050(2) 0.4118(17) 0.33(2) Uiso 1 1 d . . .
O7 O 1.152(2) 0.9917(19) 0.3719(12) 0.42(4) Uani 1 1 d . . .
O8 O 1.133(3) 1.059(4) 0.439(2) 0.44(3) Uiso 1 1 d . . .
N1 N 0.9923(11) 0.6408(13) 0.3077(10) 0.153(10) Uani 1 1 d . . .
H1A H 0.9916 0.6507 0.3388 0.184 Uiso 1 1 calc R . .
C01 C 0.938(3) 0.815(3) 0.605(2) 0.17(3) Uiso 0.50 1 d PD . .
C1 C 0.8156(7) 0.9229(7) 0.1005(6) 0.055(4) Uani 1 1 d . . .
C02 C 0.639(2) 0.919(3) 0.862(2) 0.136(19) Uiso 0.50 1 d PD . .
C2 C 0.7836(7) 0.9514(8) 0.0746(6) 0.060(4) Uani 1 1 d . . .
C03 C 0.875(4) 0.716(5) 0.690(3) 0.17(5) Uiso 0.25 1 d PD . .
H03A H 0.8645 0.6879 0.6624 0.201 Uiso 0.25 1 calc PR . .
H03B H 0.9100 0.7331 0.6837 0.201 Uiso 0.25 1 calc PR . .
C3 C 0.7512(9) 0.9861(11) 0.0408(8) 0.084(6) Uani 1 1 d . . .
C4 C 0.7698(11) 1.0406(11) 0.0124(9) 0.110(8) Uani 1 1 d . . .
H14A H 0.8044 1.0556 0.0157 0.132 Uiso 1 1 calc R . .
C5 C 0.7353(17) 1.0704(13) -0.0201(10) 0.153(14) Uani 1 1 d . . .
H15A H 0.7471 1.1083 -0.0361 0.184 Uiso 1 1 calc R . .
C6 C 0.6859(17) 1.049(2) -0.0309(12) 0.170(17) Uani 1 1 d . . .
C7 C 0.6716(13) 0.999(2) -0.0055(18) 0.24(3) Uani 1 1 d . . .
H17A H 0.6375 0.9835 -0.0101 0.291 Uiso 1 1 calc R . .
C8 C 0.7040(12) 0.9671(17) 0.0286(14) 0.184(17) Uani 1 1 d . . .
H18A H 0.6908 0.9292 0.0436 0.221 Uiso 1 1 calc R . .
C9 C 0.6508(19) 1.089(2) -0.0686(17) 0.28(3) Uani 1 1 d . . .
H19A H 0.6171 1.0672 -0.0720 0.421 Uiso 1 1 calc R . .
H19B H 0.6682 1.0900 -0.1003 0.421 Uiso 1 1 calc R . .
H19C H 0.6456 1.1328 -0.0566 0.421 Uiso 1 1 calc R . .
C11 C 0.8549(5) 0.7441(7) 0.1453(6) 0.049(4) Uani 1 1 d . . .
C12 C 0.8351(6) 0.7350(7) 0.1046(6) 0.052(4) Uani 1 1 d . . .
C13 C 0.8129(6) 0.7210(7) 0.0572(5) 0.047(4) Uani 1 1 d . . .
C14 C 0.8177(7) 0.6581(9) 0.0360(6) 0.066(5) Uani 1 1 d . . .
H4A H 0.8360 0.6248 0.0524 0.079 Uiso 1 1 calc R . .
C15 C 0.7944(8) 0.6466(10) -0.0098(7) 0.084(6) Uani 1 1 d . . .
H5A H 0.7967 0.6043 -0.0231 0.101 Uiso 1 1 calc R . .
C16 C 0.7687(8) 0.6931(9) -0.0363(6) 0.068(5) Uani 1 1 d . . .
C17 C 0.7654(9) 0.7536(10) -0.0154(7) 0.084(6) Uani 1 1 d . . .
H7A H 0.7485 0.7868 -0.0333 0.101 Uiso 1 1 calc R . .
C18 C 0.7855(7) 0.7695(9) 0.0309(6) 0.065(5) Uani 1 1 d . . .
H8A H 0.7809 0.8115 0.0441 0.078 Uiso 1 1 calc R . .
C19 C 0.7482(10) 0.6783(13) -0.0883(7) 0.113(8) Uani 1 1 d . . .
H9A H 0.7543 0.6327 -0.0960 0.169 Uiso 1 1 calc R . .
H9B H 0.7664 0.7055 -0.1119 0.169 Uiso 1 1 calc R . .
H9C H 0.7110 0.6874 -0.0897 0.169 Uiso 1 1 calc R . .
C21 C 0.8273(6) 0.9076(7) 0.2232(6) 0.052(4) Uani 1 1 d . . .
C22 C 0.8062(6) 0.9205(7) 0.2634(6) 0.049(4) Uani 1 1 d . . .
C23 C 0.7810(6) 0.9327(8) 0.3112(5) 0.053(4) Uani 1 1 d . . .
C24 C 0.7653(7) 0.8791(9) 0.3407(6) 0.068(5) Uani 1 1 d . . .
H44A H 0.7700 0.8359 0.3298 0.082 Uiso 1 1 calc R . .
C25 C 0.7429(8) 0.8920(9) 0.3857(7) 0.071(5) Uani 1 1 d . . .
H45A H 0.7312 0.8561 0.4042 0.085 Uiso 1 1 calc R . .
C26 C 0.7364(8) 0.9526(12) 0.4054(6) 0.081(6) Uani 1 1 d . . .
C27 C 0.7530(9) 1.0037(11) 0.3748(8) 0.098(7) Uani 1 1 d . . .
H47A H 0.7490 1.0466 0.3865 0.118 Uiso 1 1 calc R . .
C28 C 0.7745(8) 0.9958(9) 0.3297(7) 0.077(5) Uani 1 1 d . . .
H48A H 0.7848 1.0322 0.3111 0.093 Uiso 1 1 calc R . .
C29 C 0.7138(11) 0.9631(14) 0.4568(8) 0.127(9) Uani 1 1 d . . .
H49A H 0.7049 0.9212 0.4711 0.190 Uiso 1 1 calc R . .
H49B H 0.6826 0.9900 0.4546 0.190 Uiso 1 1 calc R . .
H49C H 0.7396 0.9848 0.4772 0.190 Uiso 1 1 calc R . .
C31 C 0.8863(6) 0.7659(7) 0.2724(6) 0.049(4) Uani 1 1 d . . .
C32 C 0.8712(6) 0.7615(7) 0.3146(6) 0.050(4) Uani 1 1 d . . .
C33 C 0.8541(7) 0.7587(9) 0.3670(6) 0.064(5) Uani 1 1 d . . .
C34 C 0.8139(7) 0.7154(8) 0.3814(7) 0.070(5) Uani 1 1 d . . .
H34A H 0.8000 0.6851 0.3590 0.084 Uiso 1 1 calc R . .
C35 C 0.7950(9) 0.7184(11) 0.4297(8) 0.091(6) Uani 1 1 d . . .
H35A H 0.7668 0.6913 0.4386 0.109 Uiso 1 1 calc R . .
C36 C 0.8158(10) 0.7594(13) 0.4645(7) 0.096(7) Uani 1 1 d . . .
C37 C 0.8555(11) 0.8013(13) 0.4496(7) 0.109(8) Uani 1 1 d . . .
H37A H 0.8699 0.8301 0.4728 0.131 Uiso 1 1 calc R . .
C38 C 0.8749(8) 0.8025(10) 0.4019(7) 0.086(6) Uani 1 1 d . . .
H38A H 0.9014 0.8320 0.3931 0.103 Uiso 1 1 calc R . .
C39 C 0.7973(10) 0.7627(15) 0.5174(8) 0.125(9) Uani 1 1 d . . .
H39A H 0.7696 0.7309 0.5224 0.188 Uiso 1 1 calc R . .
H39B H 0.7841 0.8061 0.5243 0.188 Uiso 1 1 calc R . .
H39C H 0.8263 0.7531 0.5392 0.188 Uiso 1 1 calc R . .
C41 C 0.9762(7) 0.7071(8) 0.1883(5) 0.053(4) Uani 1 1 d . . .
C42 C 1.0115(7) 0.6700(8) 0.1812(6) 0.060(4) Uani 1 1 d . . .
C43 C 1.0521(7) 0.6204(10) 0.1710(7) 0.070(5) Uani 1 1 d . . .
C44 C 1.1016(9) 0.6345(11) 0.1555(11) 0.123(10) Uani 1 1 d . . .
H54A H 1.1109 0.6785 0.1508 0.147 Uiso 1 1 calc R . .
C45 C 1.1395(8) 0.5858(15) 0.1460(13) 0.152(14) Uani 1 1 d . . .
H55A H 1.1736 0.5982 0.1367 0.182 Uiso 1 1 calc R . .
C46 C 1.1277(12) 0.5226(16) 0.1500(11) 0.131(11) Uani 1 1 d . . .
C47 C 1.0788(11) 0.5054(10) 0.1665(10) 0.106(8) Uani 1 1 d . . .
H57A H 1.0709 0.4610 0.1714 0.127 Uiso 1 1 calc R . .
C48 C 1.0412(9) 0.5521(11) 0.1759(8) 0.094(6) Uani 1 1 d . . .
H58A H 1.0076 0.5388 0.1857 0.113 Uiso 1 1 calc R . .
C49 C 1.1684(14) 0.4684(16) 0.1381(14) 0.206(19) Uani 1 1 d . . .
H59A H 1.2008 0.4884 0.1271 0.309 Uiso 1 1 calc R . .
H59B H 1.1548 0.4403 0.1124 0.309 Uiso 1 1 calc R . .
H59C H 1.1751 0.4428 0.1674 0.309 Uiso 1 1 calc R . .
C51 C 0.9388(8) 0.8813(8) 0.1500(6) 0.058(4) Uani 1 1 d . . .
C52 C 0.9854(6) 0.8834(8) 0.1501(5) 0.051(4) Uani 1 1 d . . .
C53 C 1.0419(6) 0.8931(8) 0.1529(6) 0.056(4) Uani 1 1 d . . .
C54 C 1.0641(8) 0.9551(9) 0.1474(8) 0.087(6) Uani 1 1 d . . .
H24A H 1.0429 0.9918 0.1414 0.104 Uiso 1 1 calc R . .
C55 C 1.1173(10) 0.9612(15) 0.1507(10) 0.124(10) Uani 1 1 d . . .
H25A H 1.1316 1.0032 0.1475 0.149 Uiso 1 1 calc R . .
C56 C 1.1522(7) 0.9095(14) 0.1586(8) 0.099(8) Uani 1 1 d . . .
C57 C 1.1291(8) 0.8482(11) 0.1663(8) 0.086(6) Uani 1 1 d . . .
H27A H 1.1500 0.8117 0.1736 0.103 Uiso 1 1 calc R . .
C58 C 1.0740(7) 0.8420(10) 0.1631(7) 0.072(5) Uani 1 1 d . . .
H28A H 1.0590 0.8006 0.1683 0.086 Uiso 1 1 calc R . .
C59 C 1.2105(8) 0.9228(16) 0.1627(13) 0.160(13) Uani 1 1 d . . .
H29A H 1.2173 0.9685 0.1557 0.239 Uiso 1 1 calc R . .
H29B H 1.2293 0.8958 0.1392 0.239 Uiso 1 1 calc R . .
H29C H 1.2223 0.9126 0.1957 0.239 Uiso 1 1 calc R . .
C61 C 0.9962(16) 0.5862(15) 0.3096(14) 0.169(16) Uani 1 1 d . . .
C62 C 0.998(2) 0.5136(17) 0.3063(16) 0.216(19) Uani 1 1 d . . .
C101 C 1.0491(7) 0.9091(7) 0.2924(6) 0.061(4) Uani 1 1 d . . .
H10A H 1.0696 0.9334 0.3168 0.074 Uiso 1 1 calc R . .
H10B H 1.0659 0.9152 0.2604 0.074 Uiso 1 1 calc R . .
C102 C 0.9350(6) 0.7518(7) -0.0202(6) 0.054(4) Uani 1 1 d . . .
H10C H 0.9012 0.7295 -0.0234 0.065 Uiso 1 1 calc R . .
H10D H 0.9544 0.7451 -0.0509 0.065 Uiso 1 1 calc R . .
C103 C 0.6723(6) 0.8242(7) 0.2468(6) 0.051(4) Uani 1 1 d . . .
H10E H 0.6855 0.8443 0.2771 0.062 Uiso 1 1 calc R . .
H10F H 0.6364 0.8096 0.2531 0.062 Uiso 1 1 calc R . .
C111 C 1.1189(7) 0.7975(9) 0.2929(6) 0.063(4) Uani 1 1 d . . .
C112 C 1.1618(8) 0.8385(11) 0.2977(7) 0.083(6) Uani 1 1 d . . .
H11A H 1.1565 0.8813 0.3092 0.099 Uiso 1 1 calc R . .
C113 C 1.2122(8) 0.8184(15) 0.2862(8) 0.101(8) Uani 1 1 d . . .
H11B H 1.2408 0.8467 0.2905 0.121 Uiso 1 1 calc R . .
C114 C 1.2193(11) 0.7584(17) 0.2689(10) 0.114(9) Uani 1 1 d . . .
H11C H 1.2532 0.7445 0.2603 0.137 Uiso 1 1 calc R . .
C115 C 1.1785(13) 0.7170(14) 0.2634(10) 0.122(9) Uani 1 1 d . . .
H11D H 1.1845 0.6746 0.2515 0.146 Uiso 1 1 calc R . .
C116 C 1.1272(9) 0.7362(11) 0.2753(8) 0.091(6) Uani 1 1 d . . .
H11E H 1.0991 0.7072 0.2711 0.109 Uiso 1 1 calc R . .
C121 C 1.0498(7) 0.8179(10) 0.3745(7) 0.070(5) Uani 1 1 d . . .
C122 C 1.0857(10) 0.8507(11) 0.4067(8) 0.099(7) Uani 1 1 d . . .
H12B H 1.1125 0.8759 0.3926 0.119 Uiso 1 1 calc R . .
C123 C 1.0830(11) 0.8470(13) 0.4567(8) 0.105(8) Uani 1 1 d . . .
H12C H 1.1067 0.8703 0.4766 0.126 Uiso 1 1 calc R . .
C124 C 1.0444(11) 0.8080(17) 0.4776(9) 0.134(11) Uani 1 1 d . . .
H12D H 1.0439 0.8025 0.5119 0.161 Uiso 1 1 calc R . .
C125 C 1.0068(12) 0.7771(19) 0.4499(9) 0.175(17) Uani 1 1 d . . .
H12E H 0.9796 0.7534 0.4647 0.210 Uiso 1 1 calc R . .
C126 C 1.0108(11) 0.7825(16) 0.3978(9) 0.132(10) Uani 1 1 d . . .
H12F H 0.9858 0.7609 0.3783 0.158 Uiso 1 1 calc R . .
C211 C 0.9653(6) 0.9651(8) 0.3534(6) 0.054(4) Uani 1 1 d . . .
C212 C 0.9145(8) 0.9594(10) 0.3685(7) 0.078(5) Uani 1 1 d . . .
H21A H 0.8899 0.9440 0.3456 0.093 Uiso 1 1 calc R . .
C213 C 0.8967(10) 0.9747(11) 0.4153(9) 0.094(6) Uani 1 1 d . . .
H21B H 0.8612 0.9695 0.4234 0.112 Uiso 1 1 calc R . .
C214 C 0.9303(12) 0.9968(13) 0.4483(8) 0.101(8) Uani 1 1 d . . .
H21C H 0.9190 1.0047 0.4806 0.121 Uiso 1 1 calc R . .
C215 C 0.9813(13) 1.0082(15) 0.4360(10) 0.135(11) Uani 1 1 d . . .
H21D H 1.0043 1.0260 0.4593 0.162 Uiso 1 1 calc R . .
C216 C 1.0005(10) 0.9927(12) 0.3861(9) 0.104(7) Uani 1 1 d . . .
H21E H 1.0353 1.0013 0.3769 0.125 Uiso 1 1 calc R . .
C221 C 0.9932(7) 1.0261(8) 0.2613(6) 0.059(4) Uani 1 1 d . . .
C222 C 0.9541(8) 1.0555(10) 0.2360(7) 0.082(6) Uani 1 1 d . . .
H22A H 0.9221 1.0333 0.2329 0.098 Uiso 1 1 calc R . .
C223 C 0.9586(11) 1.1163(12) 0.2147(9) 0.096(7) Uani 1 1 d . . .
H22B H 0.9304 1.1357 0.1981 0.115 Uiso 1 1 calc R . .
C224 C 1.0033(14) 1.1454(13) 0.2186(10) 0.118(9) Uani 1 1 d . . .
H22C H 1.0067 1.1873 0.2049 0.141 Uiso 1 1 calc R . .
C225 C 1.0470(13) 1.1183(14) 0.2418(13) 0.148(12) Uani 1 1 d . . .
H22D H 1.0796 1.1396 0.2418 0.178 Uiso 1 1 calc R . .
C226 C 1.0396(9) 1.0566(12) 0.2655(11) 0.122(10) Uani 1 1 d . . .
H22E H 1.0668 1.0376 0.2839 0.146 Uiso 1 1 calc R . .
C311 C 0.8757(6) 0.8577(8) -0.0610(6) 0.057(4) Uani 1 1 d . . .
C312 C 0.8347(7) 0.9021(8) -0.0526(7) 0.071(5) Uani 1 1 d . . .
H31A H 0.8332 0.9250 -0.0227 0.085 Uiso 1 1 calc R . .
C313 C 0.7964(8) 0.9125(11) -0.0876(8) 0.084(6) Uani 1 1 d . . .
H31B H 0.7701 0.9437 -0.0817 0.101 Uiso 1 1 calc R . .
C314 C 0.7959(9) 0.8789(12) -0.1299(8) 0.092(7) Uani 1 1 d . . .
H31C H 0.7682 0.8848 -0.1523 0.110 Uiso 1 1 calc R . .
C315 C 0.8366(10) 0.8350(13) -0.1411(8) 0.101(7) Uani 1 1 d . . .
H31D H 0.8372 0.8131 -0.1714 0.121 Uiso 1 1 calc R . .
C316 C 0.8765(7) 0.8243(9) -0.1059(6) 0.069(5) Uani 1 1 d . . .
H31E H 0.9037 0.7946 -0.1127 0.083 Uiso 1 1 calc R . .
C321 C 0.9841(6) 0.8843(7) -0.0272(6) 0.053(4) Uani 1 1 d . . .
C322 C 1.0006(7) 0.8959(10) -0.0744(7) 0.073(5) Uani 1 1 d . . .
H32A H 0.9805 0.8806 -0.1009 0.088 Uiso 1 1 calc R . .
C323 C 1.0464(9) 0.9297(13) -0.0837(8) 0.099(7) Uani 1 1 d . . .
H32B H 1.0571 0.9365 -0.1163 0.119 Uiso 1 1 calc R . .
C324 C 1.0767(8) 0.9538(10) -0.0456(8) 0.081(6) Uani 1 1 d . . .
H32C H 1.1068 0.9786 -0.0525 0.098 Uiso 1 1 calc R . .
C325 C 1.0631(10) 0.9415(12) 0.0013(9) 0.110(8) Uani 1 1 d . . .
H32D H 1.0851 0.9549 0.0272 0.133 Uiso 1 1 calc R . .
C326 C 1.0155(9) 0.9084(12) 0.0115(7) 0.094(7) Uani 1 1 d . . .
H32E H 1.0049 0.9024 0.0443 0.113 Uiso 1 1 calc R . .
C411 C 0.9557(6) 0.6265(8) 0.0230(6) 0.054(4) Uani 1 1 d . . .
C412 C 0.9563(7) 0.5860(10) 0.0642(7) 0.078(5) Uani 1 1 d . . .
H41A H 0.9656 0.6015 0.0955 0.094 Uiso 1 1 calc R . .
C413 C 0.9417(9) 0.5195(11) 0.0557(10) 0.099(7) Uani 1 1 d . . .
H41B H 0.9403 0.4918 0.0832 0.119 Uiso 1 1 calc R . .
C414 C 0.9303(8) 0.4939(10) 0.0129(11) 0.093(7) Uani 1 1 d . . .
H41C H 0.9211 0.4497 0.0097 0.112 Uiso 1 1 calc R . .
C415 C 0.9322(9) 0.5343(11) -0.0269(9) 0.094(7) Uani 1 1 d . . .
H41D H 0.9259 0.5168 -0.0583 0.113 Uiso 1 1 calc R . .
C416 C 0.9428(7) 0.5987(9) -0.0228(7) 0.071(5) Uani 1 1 d . . .
H41E H 0.9416 0.6253 -0.0509 0.086 Uiso 1 1 calc R . .
C421 C 1.0417(7) 0.7213(8) 0.0121(7) 0.064(5) Uani 1 1 d . . .
C422 C 1.0615(8) 0.6984(10) -0.0314(7) 0.079(6) Uani 1 1 d . . .
H42A H 1.0383 0.6785 -0.0536 0.095 Uiso 1 1 calc R . .
C423 C 1.1139(9) 0.7030(12) -0.0445(9) 0.094(7) Uani 1 1 d . . .
H42B H 1.1262 0.6848 -0.0740 0.112 Uiso 1 1 calc R . .
C424 C 1.1466(11) 0.7346(19) -0.0133(11) 0.148(13) Uani 1 1 d . . .
H42C H 1.1818 0.7400 -0.0224 0.177 Uiso 1 1 calc R . .
C425 C 1.1305(10) 0.759(2) 0.0303(11) 0.163(15) Uani 1 1 d . . .
H42D H 1.1545 0.7790 0.0516 0.196 Uiso 1 1 calc R . .
C426 C 1.0761(9) 0.7528(16) 0.0440(9) 0.127(10) Uani 1 1 d . . .
H42E H 1.0641 0.7700 0.0740 0.152 Uiso 1 1 calc R . .
C511 C 0.7005(6) 0.6963(7) 0.2839(6) 0.049(4) Uani 1 1 d . . .
C512 C 0.7214(8) 0.6335(8) 0.2794(7) 0.075(5) Uani 1 1 d . . .
H51A H 0.7424 0.6227 0.2523 0.090 Uiso 1 1 calc R . .
C513 C 0.7108(9) 0.5873(9) 0.3153(9) 0.090(7) Uani 1 1 d . . .
H51B H 0.7222 0.5440 0.3114 0.108 Uiso 1 1 calc R . .
C514 C 0.6827(10) 0.6058(10) 0.3576(9) 0.097(7) Uani 1 1 d . . .
H51C H 0.6766 0.5749 0.3825 0.117 Uiso 1 1 calc R . .
C515 C 0.6646(8) 0.6667(8) 0.3630(7) 0.077(5) Uani 1 1 d . . .
H51D H 0.6462 0.6784 0.3916 0.092 Uiso 1 1 calc R . .
C516 C 0.6730(7) 0.7125(9) 0.3263(6) 0.069(5) Uani 1 1 d . . .
H51E H 0.6600 0.7551 0.3302 0.082 Uiso 1 1 calc R . .
C521 C 0.6773(7) 0.7125(8) 0.1822(6) 0.057(4) Uani 1 1 d . . .
C522 C 0.6272(8) 0.6894(10) 0.1878(7) 0.083(6) Uani 1 1 d . . .
H52A H 0.6093 0.6946 0.2177 0.100 Uiso 1 1 calc R . .
C523 C 0.6024(11) 0.6568(12) 0.1467(11) 0.111(8) Uani 1 1 d . . .
H52B H 0.5685 0.6396 0.1507 0.133 Uiso 1 1 calc R . .
C524 C 0.6257(11) 0.6507(11) 0.1045(11) 0.101(8) Uani 1 1 d . . .
H52C H 0.6085 0.6293 0.0786 0.122 Uiso 1 1 calc R . .
C525 C 0.6746(10) 0.6750(13) 0.0973(8) 0.107(8) Uani 1 1 d . . .
H52D H 0.6903 0.6724 0.0662 0.128 Uiso 1 1 calc R . .
C526 C 0.7013(9) 0.7037(11) 0.1365(8) 0.092(6) Uani 1 1 d . . .
H52E H 0.7361 0.7174 0.1320 0.111 Uiso 1 1 calc R . .
C611 C 0.6498(7) 0.9612(8) 0.2312(8) 0.069(5) Uani 1 1 d . . .
C612 C 0.6551(10) 1.0200(9) 0.2033(11) 0.117(9) Uani 1 1 d . . .
H61A H 0.6331 1.0166 0.1739 0.141 Uiso 1 1 calc R . .
H61B H 0.6916 1.0237 0.1924 0.141 Uiso 1 1 calc R . .
C613 C 0.6410(12) 1.0795(17) 0.2297(12) 0.142(10) Uiso 1 1 d . . .
H61C H 0.6429 1.1202 0.2138 0.171 Uiso 1 1 calc R . .
C614 C 0.6256(11) 1.0758(15) 0.2759(11) 0.126(9) Uiso 1 1 d . . .
H61D H 0.6186 1.1156 0.2918 0.151 Uiso 1 1 calc R . .
C615 C 0.6186(12) 1.0207(11) 0.3032(11) 0.135(10) Uani 1 1 d . . .
H61E H 0.6062 1.0215 0.3357 0.161 Uiso 1 1 calc R . .
C616 C 0.6320(10) 0.9612(10) 0.2783(9) 0.102(8) Uani 1 1 d . . .
H61F H 0.6283 0.9212 0.2949 0.122 Uiso 1 1 calc R . .
C621 C 0.6169(8) 0.8657(10) 0.1579(8) 0.079(6) Uani 1 1 d . . .
C622 C 0.5659(10) 0.8601(12) 0.1744(10) 0.109(8) Uani 1 1 d . . .
H62A H 0.5594 0.8665 0.2081 0.131 Uiso 1 1 calc R . .
C623 C 0.5237(12) 0.8454(16) 0.1442(15) 0.144(12) Uani 1 1 d . . .
H62B H 0.4897 0.8425 0.1572 0.173 Uiso 1 1 calc R . .
C624 C 0.5322(15) 0.836(2) 0.0958(17) 0.18(2) Uani 1 1 d . . .
H62C H 0.5038 0.8283 0.0744 0.220 Uiso 1 1 calc R . .
C625 C 0.5814(17) 0.836(2) 0.0783(12) 0.198(19) Uani 1 1 d . . .
H62D H 0.5877 0.8248 0.0454 0.237 Uiso 1 1 calc R . .
C626 C 0.6245(12) 0.8538(16) 0.1097(10) 0.145(12) Uani 1 1 d . . .
H62E H 0.6584 0.8571 0.0964 0.174 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'
N N 0.0061 0.0033 '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
C1 Ag1 P1 159.4(5) . . ?
C1 Ag1 C21 88.3(6) . . ?
P1 Ag1 C21 111.5(4) . . ?
C1 Ag1 C2 27.5(5) . . ?
P1 Ag1 C2 132.4(4) . . ?
C21 Ag1 C2 111.5(5) . . ?
C1 Ag1 Cu1 47.0(5) . . ?
P1 Ag1 Cu1 153.59(13) . . ?
C21 Ag1 Cu1 44.0(4) . . ?
C2 Ag1 Cu1 73.9(4) . . ?
C1 Ag1 Ag2 102.9(4) . . ?
P1 Ag1 Ag2 93.56(11) . . ?
C21 Ag1 Ag2 54.9(3) . . ?
C2 Ag1 Ag2 128.1(4) . . ?
Cu1 Ag1 Ag2 65.02(5) . . ?
C11 Ag2 P2 125.5(4) . . ?
C11 Ag2 C31 90.8(5) . . ?
P2 Ag2 C31 129.5(4) . . ?
C11 Ag2 Cu2 46.5(4) . . ?
P2 Ag2 Cu2 152.63(11) . . ?
C31 Ag2 Cu2 44.4(4) . . ?
C11 Ag2 C21 103.7(5) . . ?
P2 Ag2 C21 114.1(4) . . ?
C31 Ag2 C21 83.8(5) . . ?
Cu2 Ag2 C21 92.7(3) . . ?
C11 Ag2 Ag1 93.7(4) . . ?
P2 Ag2 Ag1 82.72(10) . . ?
C31 Ag2 Ag1 133.7(3) . . ?
Cu2 Ag2 Ag1 121.00(6) . . ?
C21 Ag2 Ag1 50.4(4) . . ?
C11 Ag2 Cu1 66.2(4) . . ?
P2 Ag2 Cu1 133.25(11) . . ?
C31 Ag2 Cu1 90.6(3) . . ?
Cu2 Ag2 Cu1 71.79(6) . . ?
C21 Ag2 Cu1 38.1(4) . . ?
Ag1 Ag2 Cu1 50.52(5) . . ?
C1 Ag3 P3 132.8(4) . . ?
C1 Ag3 C51 92.2(6) . . ?
P3 Ag3 C51 133.3(4) . . ?
C1 Ag3 Cu1 47.7(4) . . ?
P3 Ag3 Cu1 178.25(13) . . ?
C51 Ag3 Cu1 46.8(4) . . ?
C1 Ag3 Ag4 128.0(4) . . ?
P3 Ag3 Ag4 90.97(11) . . ?
C51 Ag3 Ag4 61.6(4) . . ?
Cu1 Ag3 Ag4 87.78(6) . . ?
C41 Ag4 P4 126.7(4) . . ?
C41 Ag4 C11 86.9(6) . . ?
P4 Ag4 C11 121.9(4) . . ?
C41 Ag4 Cu2 46.6(4) . . ?
P4 Ag4 Cu2 157.03(13) . . ?
C11 Ag4 Cu2 45.1(4) . . ?
C41 Ag4 Ag3 141.5(4) . . ?
P4 Ag4 Ag3 91.39(11) . . ?
C11 Ag4 Ag3 75.4(4) . . ?
Cu2 Ag4 Ag3 100.67(6) . . ?
C21 Ag5 P5 128.4(4) . . ?
C21 Ag5 C31 90.6(5) . . ?
P5 Ag5 C31 125.4(4) . . ?
C21 Ag5 C51 86.3(6) . . ?
P5 Ag5 C51 108.1(4) . . ?
C31 Ag5 C51 111.3(5) . . ?
C21 Ag5 Cu1 43.5(4) . . ?
P5 Ag5 Cu1 132.96(12) . . ?
C31 Ag5 Cu1 101.6(3) . . ?
C51 Ag5 Cu1 43.1(4) . . ?
C21 Ag5 Cu2 91.6(3) . . ?
P5 Ag5 Cu2 139.98(12) . . ?
C31 Ag5 Cu2 41.9(4) . . ?
C51 Ag5 Cu2 69.6(3) . . ?
Cu1 Ag5 Cu2 73.96(6) . . ?
C21 Ag5 Ag6 140.1(3) . . ?
P5 Ag5 Ag6 88.91(11) . . ?
C31 Ag5 Ag6 51.7(3) . . ?
C51 Ag5 Ag6 95.4(4) . . ?
Cu1 Ag5 Ag6 123.33(6) . . ?
Cu2 Ag5 Ag6 52.82(5) . . ?
C41 Ag6 P6 133.9(4) . . ?
C41 Ag6 C31 89.6(6) . . ?
P6 Ag6 C31 128.7(4) . . ?
C41 Ag6 N1 91.0(7) . . ?
P6 Ag6 N1 105.0(6) . . ?
C31 Ag6 N1 98.3(7) . . ?
C41 Ag6 Cu2 46.6(4) . . ?
P6 Ag6 Cu2 148.41(12) . . ?
C31 Ag6 Cu2 44.8(4) . . ?
N1 Ag6 Cu2 106.6(6) . . ?
C41 Ag6 Ag5 96.2(4) . . ?
P6 Ag6 Ag5 91.33(11) . . ?
C31 Ag6 Ag5 52.0(3) . . ?
N1 Ag6 Ag5 149.2(7) . . ?
Cu2 Ag6 Ag5 60.34(5) . . ?
C21 Cu1 C51 123.3(7) . . ?
C21 Cu1 C1 114.2(6) . . ?
C51 Cu1 C1 120.6(6) . . ?
C21 Cu1 Ag3 171.5(4) . . ?
C51 Cu1 Ag3 63.3(5) . . ?
C1 Cu1 Ag3 61.3(4) . . ?
C21 Cu1 Ag1 63.1(5) . . ?
C51 Cu1 Ag1 171.3(5) . . ?
C1 Cu1 Ag1 55.5(4) . . ?
Ag3 Cu1 Ag1 109.81(8) . . ?
C21 Cu1 Ag5 58.5(5) . . ?
C51 Cu1 Ag5 65.2(5) . . ?
C1 Cu1 Ag5 170.1(4) . . ?
Ag3 Cu1 Ag5 126.82(8) . . ?
Ag1 Cu1 Ag5 119.91(8) . . ?
C21 Cu1 Ag2 57.2(4) . . ?
C51 Cu1 Ag2 112.9(4) . . ?
C1 Cu1 Ag2 109.3(4) . . ?
Ag3 Cu1 Ag2 116.27(7) . . ?
Ag1 Cu1 Ag2 64.45(5) . . ?
Ag5 Cu1 Ag2 73.24(6) . . ?
C31 Cu2 C11 126.1(6) . . ?
C31 Cu2 C41 118.6(6) . . ?
C11 Cu2 C41 113.7(6) . . ?
C31 Cu2 Ag2 65.9(4) . . ?
C11 Cu2 Ag2 60.4(4) . . ?
C41 Cu2 Ag2 169.7(4) . . ?
C31 Cu2 Ag6 62.7(4) . . ?
C11 Cu2 Ag6 170.7(4) . . ?
C41 Cu2 Ag6 58.8(4) . . ?
Ag2 Cu2 Ag6 127.89(8) . . ?
C31 Cu2 Ag4 163.4(5) . . ?
C11 Cu2 Ag4 63.7(4) . . ?
C41 Cu2 Ag4 58.0(4) . . ?
Ag2 Cu2 Ag4 120.58(8) . . ?
Ag6 Cu2 Ag4 107.00(8) . . ?
C31 Cu2 Ag5 57.7(4) . . ?
C11 Cu2 Ag5 113.9(4) . . ?
C41 Cu2 Ag5 110.9(4) . . ?
Ag2 Cu2 Ag5 79.44(6) . . ?
Ag6 Cu2 Ag5 66.84(6) . . ?
Ag4 Cu2 Ag5 106.95(8) . . ?
O2 Cl1 O3 109(2) . . ?
O2 Cl1 O4 100(2) . . ?
O3 Cl1 O4 109(2) . . ?
O2 Cl1 O1 116.7(18) . . ?
O3 Cl1 O1 109.0(17) . . ?
O4 Cl1 O1 112(2) . . ?
O6 Cl2 O8 104(3) . . ?
O6 Cl2 O7 108(3) . . ?
O8 Cl2 O7 115(4) . . ?
O6 Cl2 O5 111(3) . . ?
O8 Cl2 O5 103(3) . . ?
O7 Cl2 O5 115(3) . . ?
C621 P1 C103 106.6(8) . . ?
C621 P1 C611 105.5(9) . . ?
C103 P1 C611 103.4(8) . . ?
C621 P1 Ag1 116.4(8) . . ?
C103 P1 Ag1 112.0(5) . . ?
C611 P1 Ag1 112.0(6) . . ?
C521 P2 C103 103.9(8) . . ?
C521 P2 C511 101.5(7) . . ?
C103 P2 C511 104.0(7) . . ?
C521 P2 Ag2 116.1(6) . . ?
C103 P2 Ag2 113.6(5) . . ?
C511 P2 Ag2 116.1(5) . . ?
C311 P3 C321 107.9(7) . . ?
C311 P3 C102 101.8(7) . . ?
C321 P3 C102 107.6(7) . . ?
C311 P3 Ag3 114.9(6) . . ?
C321 P3 Ag3 110.9(5) . . ?
C102 P3 Ag3 113.1(5) . . ?
C411 P4 C102 102.1(7) . . ?
C411 P4 C421 105.6(8) . . ?
C102 P4 C421 104.6(7) . . ?
C411 P4 Ag4 111.1(5) . . ?
C102 P4 Ag4 114.9(5) . . ?
C421 P4 Ag4 117.1(6) . . ?
C211 P5 C101 105.9(8) . . ?
C211 P5 C221 102.7(7) . . ?
C101 P5 C221 103.4(8) . . ?
C211 P5 Ag5 114.6(6) . . ?
C101 P5 Ag5 115.4(5) . . ?
C221 P5 Ag5 113.4(6) . . ?
C121 P6 C111 103.8(8) . . ?
C121 P6 C101 105.3(9) . . ?
C111 P6 C101 102.7(8) . . ?
C121 P6 Ag6 114.8(6) . . ?
C111 P6 Ag6 114.4(6) . . ?
C101 P6 Ag6 114.5(5) . . ?
C61 N1 Ag6 158(3) . . ?
C2 C1 Cu1 162.6(14) . . ?
C2 C1 Ag1 92.8(12) . . ?
Cu1 C1 Ag1 77.5(5) . . ?
C2 C1 Ag3 124.6(13) . . ?
Cu1 C1 Ag3 71.0(5) . . ?
Ag1 C1 Ag3 135.1(7) . . ?
C1 C2 C3 173.4(19) . . ?
C1 C2 Ag1 59.7(10) . . ?
C3 C2 Ag1 126.9(14) . . ?
Cl02 C03 Cl01 105.1(11) . . ?
C8 C3 C2 123(2) . . ?
C8 C3 C4 113(2) . . ?
C2 C3 C4 123(2) . . ?
C5 C4 C3 118(3) . . ?
C6 C5 C4 126(3) . . ?
C7 C6 C5 113(3) . . ?
C7 C6 C9 126(4) . . ?
C5 C6 C9 120(4) . . ?
C6 C7 C8 124(4) . . ?
C3 C8 C7 125(3) . . ?
C12 C11 Cu2 163.8(13) . . ?
C12 C11 Ag2 122.9(11) . . ?
Cu2 C11 Ag2 73.1(5) . . ?
C12 C11 Ag4 94.5(11) . . ?
Cu2 C11 Ag4 71.2(4) . . ?
Ag2 C11 Ag4 138.7(7) . . ?
C11 C12 C13 177.0(17) . . ?
C18 C13 C14 118.5(14) . . ?
C18 C13 C12 120.8(14) . . ?
C14 C13 C12 120.8(15) . . ?
C15 C14 C13 118.5(17) . . ?
C16 C15 C14 123.9(18) . . ?
C15 C16 C17 116.3(16) . . ?
C15 C16 C19 120.9(18) . . ?
C17 C16 C19 122.7(18) . . ?
C16 C17 C18 124.3(18) . . ?
C17 C18 C13 118.4(16) . . ?
C22 C21 Cu1 174.8(13) . . ?
C22 C21 Ag5 103.4(12) . . ?
Cu1 C21 Ag5 78.0(5) . . ?
C22 C21 Ag1 106.9(12) . . ?
Cu1 C21 Ag1 72.9(5) . . ?
Ag5 C21 Ag1 147.5(7) . . ?
C22 C21 Ag2 100.3(10) . . ?
Cu1 C21 Ag2 84.7(5) . . ?
Ag5 C21 Ag2 88.5(5) . . ?
Ag1 C21 Ag2 74.8(4) . . ?
C21 C22 C23 177.5(16) . . ?
C28 C23 C24 118.7(15) . . ?
C28 C23 C22 121.8(15) . . ?
C24 C23 C22 119.5(15) . . ?
C25 C24 C23 118.1(16) . . ?
C26 C25 C24 125.2(17) . . ?
C25 C26 C27 114.2(16) . . ?
C25 C26 C29 122(2) . . ?
C27 C26 C29 123(2) . . ?
C28 C27 C26 124.8(19) . . ?
C27 C28 C23 119.0(18) . . ?
C32 C31 Cu2 164.1(14) . . ?
C32 C31 Ag6 110.6(11) . . ?
Cu2 C31 Ag6 72.5(5) . . ?
C32 C31 Ag5 115.5(12) . . ?
Cu2 C31 Ag5 80.4(5) . . ?
Ag6 C31 Ag5 76.4(4) . . ?
C32 C31 Ag2 108.1(12) . . ?
Cu2 C31 Ag2 69.7(4) . . ?
Ag6 C31 Ag2 141.2(7) . . ?
Ag5 C31 Ag2 89.1(4) . . ?
C31 C32 C33 177.4(17) . . ?
C38 C33 C34 119.1(17) . . ?
C38 C33 C32 120.6(16) . . ?
C34 C33 C32 120.1(16) . . ?
C35 C34 C33 118.8(18) . . ?
C36 C35 C34 123(2) . . ?
C35 C36 C37 117.3(18) . . ?
C35 C36 C39 124(2) . . ?
C37 C36 C39 119(2) . . ?
C38 C37 C36 123(2) . . ?
C37 C38 C33 119(2) . . ?
C42 C41 Cu2 164.3(14) . . ?
C42 C41 Ag4 109.3(13) . . ?
Cu2 C41 Ag4 75.3(5) . . ?
C42 C41 Ag6 110.0(13) . . ?
Cu2 C41 Ag6 74.6(5) . . ?
Ag4 C41 Ag6 131.3(7) . . ?
C41 C42 C43 175.6(18) . . ?
C44 C43 C48 114.5(19) . . ?
C44 C43 C42 124.3(19) . . ?
C48 C43 C42 121.2(18) . . ?
C43 C44 C45 123(2) . . ?
C46 C45 C44 121(2) . . ?
C45 C46 C47 119(2) . . ?
C45 C46 C49 122(3) . . ?
C47 C46 C49 119(3) . . ?
C46 C47 C48 121(2) . . ?
C47 C48 C43 122(2) . . ?
C52 C51 Cu1 167.6(15) . . ?
C52 C51 Ag3 118.2(12) . . ?
Cu1 C51 Ag3 69.9(6) . . ?
C52 C51 Ag5 102.0(12) . . ?
Cu1 C51 Ag5 71.7(5) . . ?
Ag3 C51 Ag5 139.3(8) . . ?
C51 C52 C53 173.5(18) . . ?
C58 C53 C54 118.6(17) . . ?
C58 C53 C52 120.2(16) . . ?
C54 C53 C52 121.2(17) . . ?
C55 C54 C53 118(2) . . ?
C54 C55 C56 125(2) . . ?
C55 C56 C57 115.6(18) . . ?
C55 C56 C59 120(2) . . ?
C57 C56 C59 124(2) . . ?
C56 C57 C58 119(2) . . ?
C53 C58 C57 122.9(18) . . ?
N1 C61 C62 173(4) . . ?
P5 C101 P6 114.4(9) . . ?
P4 C102 P3 114.2(8) . . ?
P2 C103 P1 114.3(8) . . ?
C116 C111 C112 117.9(18) . . ?
C116 C111 P6 117.7(16) . . ?
C112 C111 P6 124.4(15) . . ?
C111 C112 C113 122(2) . . ?
C114 C113 C112 119(2) . . ?
C113 C114 C115 121(3) . . ?
C114 C115 C116 121(3) . . ?
C111 C116 C115 119(2) . . ?
C126 C121 C122 115(2) . . ?
C126 C121 P6 119.0(16) . . ?
C122 C121 P6 125.7(16) . . ?
C123 C122 C121 123(2) . . ?
C122 C123 C124 118(2) . . ?
C125 C124 C123 122(2) . . ?
C124 C125 C126 117(2) . . ?
C121 C126 C125 123(2) . . ?
C212 C211 C216 117.2(17) . . ?
C212 C211 P5 119.5(12) . . ?
C216 C211 P5 123.0(15) . . ?
C211 C212 C213 124.7(18) . . ?
C214 C213 C212 119(2) . . ?
C213 C214 C215 121(2) . . ?
C214 C215 C216 120(2) . . ?
C211 C216 C215 117(2) . . ?
C226 C221 C222 119.1(19) . . ?
C226 C221 P5 120.6(16) . . ?
C222 C221 P5 120.3(14) . . ?
C221 C222 C223 124(2) . . ?
C224 C223 C222 117(3) . . ?
C223 C224 C225 124(3) . . ?
C224 C225 C226 117(3) . . ?
C221 C226 C225 119(2) . . ?
C316 C311 C312 118.0(16) . . ?
C316 C311 P3 122.3(14) . . ?
C312 C311 P3 119.5(13) . . ?
C313 C312 C311 120.9(18) . . ?
C314 C313 C312 121(2) . . ?
C313 C314 C315 120(2) . . ?
C314 C315 C316 119(2) . . ?
C311 C316 C315 120.2(19) . . ?
C322 C321 C326 117.5(16) . . ?
C322 C321 P3 123.7(14) . . ?
C326 C321 P3 118.8(13) . . ?
C321 C322 C323 121.2(18) . . ?
C322 C323 C324 121(2) . . ?
C325 C324 C323 120(2) . . ?
C324 C325 C326 120(2) . . ?
C321 C326 C325 120.5(19) . . ?
C412 C411 C416 118.2(17) . . ?
C412 C411 P4 118.9(13) . . ?
C416 C411 P4 122.8(13) . . ?
C411 C412 C413 115.7(19) . . ?
C414 C413 C412 126(2) . . ?
C413 C414 C415 117(2) . . ?
C416 C415 C414 122(2) . . ?
C415 C416 C411 121(2) . . ?
C422 C421 C426 117.6(19) . . ?
C422 C421 P4 124.1(15) . . ?
C426 C421 P4 118.3(16) . . ?
C421 C422 C423 124(2) . . ?
C424 C423 C422 118(2) . . ?
C425 C424 C423 123(2) . . ?
C424 C425 C426 119(3) . . ?
C421 C426 C425 119(2) . . ?
C516 C511 C512 119.0(15) . . ?
C516 C511 P2 124.6(12) . . ?
C512 C511 P2 116.4(13) . . ?
C513 C512 C511 119.4(18) . . ?
C512 C513 C514 119.4(18) . . ?
C515 C514 C513 121.1(18) . . ?
C514 C515 C516 120(2) . . ?
C515 C516 C511 120.9(17) . . ?
C522 C521 C526 117.4(17) . . ?
C522 C521 P2 122.3(14) . . ?
C526 C521 P2 120.3(13) . . ?
C521 C522 C523 119(2) . . ?
C524 C523 C522 122(2) . . ?
C523 C524 C525 121(2) . . ?
C524 C525 C526 120(2) . . ?
C525 C526 C521 121(2) . . ?
C616 C611 C612 122.2(18) . . ?
C616 C611 P1 123.6(14) . . ?
C612 C611 P1 114.2(16) . . ?
C611 C612 C613 115(2) . . ?
C614 C613 C612 120(3) . . ?
C613 C614 C615 127(3) . . ?
C614 C615 C616 115(3) . . ?
C611 C616 C615 122(2) . . ?
C626 C621 C622 116(2) . . ?
C626 C621 P1 121.4(19) . . ?
C622 C621 P1 122.6(19) . . ?
C621 C622 C623 124(3) . . ?
C624 C623 C622 119(3) . . ?
C625 C624 C623 120(3) . . ?
C624 C625 C626 120(4) . . ?
C621 C626 C625 121(3) . . ?
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 C1 2.270(15) . ?
Ag1 P1 2.371(5) . ?
Ag1 C21 2.507(16) . ?
Ag1 C2 2.627(17) . ?
Ag1 Cu1 2.687(2) . ?
Ag1 Ag2 3.1407(18) . ?
Ag2 C11 2.399(15) . ?
Ag2 P2 2.430(4) . ?
Ag2 C31 2.570(14) . ?
Ag2 Cu2 2.641(2) . ?
Ag2 C21 2.663(14) . ?
Ag2 Cu1 3.155(2) . ?
Ag3 C1 2.390(16) . ?
Ag3 P3 2.403(4) . ?
Ag3 C51 2.451(17) . ?
Ag3 Cu1 2.575(2) . ?
Ag3 Ag4 2.980(2) . ?
Ag4 C41 2.346(15) . ?
Ag4 P4 2.409(4) . ?
Ag4 C11 2.535(13) . ?
Ag4 Cu2 2.676(2) . ?
Ag5 C21 2.423(16) . ?
Ag5 P5 2.436(4) . ?
Ag5 C31 2.496(15) . ?
Ag5 C51 2.657(15) . ?
Ag5 Cu1 2.780(2) . ?
Ag5 Cu2 2.910(2) . ?
Ag5 Ag6 3.0787(19) . ?
Ag6 C41 2.368(15) . ?
Ag6 P6 2.411(4) . ?
Ag6 C31 2.485(15) . ?
Ag6 N1 2.55(2) . ?
Ag6 Cu2 2.668(2) . ?
Cu1 C21 1.954(16) . ?
Cu1 C51 2.000(19) . ?
Cu1 C1 2.013(18) . ?
Cu2 C31 1.970(17) . ?
Cu2 C11 2.003(17) . ?
Cu2 C41 2.010(18) . ?
Cl1 O2 1.29(2) . ?
Cl1 O3 1.32(2) . ?
Cl1 O4 1.37(3) . ?
Cl1 O1 1.38(2) . ?
Cl01 C03 1.760(5) . ?
Cl2 O6 1.34(5) . ?
Cl2 O8 1.37(7) . ?
Cl2 O7 1.38(3) . ?
Cl2 O5 1.55(5) . ?
Cl02 C03 1.759(5) . ?
P1 C621 1.793(19) . ?
P1 C103 1.818(15) . ?
P1 C611 1.834(18) . ?
P2 C521 1.813(16) . ?
P2 C103 1.815(14) . ?
P2 C511 1.826(14) . ?
P3 C311 1.808(16) . ?
P3 C321 1.822(16) . ?
P3 C102 1.851(15) . ?
P4 C411 1.826(17) . ?
P4 C102 1.827(16) . ?
P4 C421 1.836(18) . ?
P5 C211 1.816(16) . ?
P5 C101 1.829(17) . ?
P5 C221 1.846(17) . ?
P6 C121 1.778(18) . ?
P6 C111 1.827(17) . ?
P6 C101 1.847(15) . ?
O01 C01 1.477(10) . ?
O02 C02 1.484(10) . ?
N1 C61 1.11(3) . ?
C1 C2 1.21(2) . ?
C2 C3 1.41(3) . ?
C3 C8 1.30(3) . ?
C3 C4 1.42(3) . ?
C4 C5 1.37(3) . ?
C5 C6 1.35(5) . ?
C6 C7 1.27(5) . ?
C6 C9 1.56(4) . ?
C7 C8 1.39(4) . ?
C11 C12 1.22(2) . ?
C12 C13 1.42(2) . ?
C13 C18 1.40(2) . ?
C13 C14 1.40(2) . ?
C14 C15 1.39(2) . ?
C15 C16 1.35(3) . ?
C16 C17 1.35(3) . ?
C16 C19 1.52(2) . ?
C17 C18 1.38(2) . ?
C21 C22 1.23(2) . ?
C22 C23 1.46(2) . ?
C23 C28 1.38(2) . ?
C23 C24 1.40(2) . ?
C24 C25 1.36(2) . ?
C25 C26 1.35(3) . ?
C26 C27 1.39(3) . ?
C26 C29 1.51(3) . ?
C27 C28 1.34(3) . ?
C31 C32 1.20(2) . ?
C32 C33 1.48(2) . ?
C33 C38 1.39(2) . ?
C33 C34 1.40(2) . ?
C34 C35 1.39(3) . ?
C35 C36 1.36(3) . ?
C36 C37 1.37(3) . ?
C36 C39 1.50(3) . ?
C37 C38 1.37(3) . ?
C41 C42 1.18(2) . ?
C42 C43 1.46(2) . ?
C43 C44 1.35(3) . ?
C43 C48 1.42(3) . ?
C44 C45 1.40(3) . ?
C45 C46 1.32(4) . ?
C46 C47 1.36(4) . ?
C46 C49 1.54(3) . ?
C47 C48 1.37(3) . ?
C51 C52 1.18(2) . ?
C52 C53 1.44(2) . ?
C53 C58 1.34(2) . ?
C53 C54 1.38(2) . ?
C54 C55 1.35(3) . ?
C55 C56 1.38(3) . ?
C56 C57 1.39(3) . ?
C56 C59 1.50(3) . ?
C57 C58 1.40(2) . ?
C61 C62 1.48(4) . ?
C111 C116 1.35(3) . ?
C111 C112 1.37(3) . ?
C112 C113 1.37(3) . ?
C113 C114 1.31(3) . ?
C114 C115 1.34(4) . ?
C115 C116 1.39(3) . ?
C121 C126 1.37(3) . ?
C121 C122 1.42(3) . ?
C122 C123 1.35(3) . ?
C123 C124 1.38(3) . ?
C124 C125 1.36(3) . ?
C125 C126 1.41(3) . ?
C211 C212 1.35(2) . ?
C211 C216 1.37(3) . ?
C212 C213 1.37(3) . ?
C213 C214 1.31(3) . ?
C214 C215 1.35(3) . ?
C215 C216 1.46(3) . ?
C221 C226 1.33(3) . ?
C221 C222 1.34(2) . ?
C222 C223 1.36(3) . ?
C223 C224 1.28(3) . ?
C224 C225 1.38(4) . ?
C225 C226 1.42(3) . ?
C311 C316 1.39(2) . ?
C311 C312 1.39(2) . ?
C312 C313 1.37(3) . ?
C313 C314 1.33(3) . ?
C314 C315 1.39(3) . ?
C315 C316 1.40(3) . ?
C321 C322 1.36(2) . ?
C321 C326 1.40(2) . ?
C322 C323 1.37(3) . ?
C323 C324 1.37(3) . ?
C324 C325 1.33(3) . ?
C325 C326 1.40(3) . ?
C411 C412 1.38(2) . ?
C411 C416 1.39(2) . ?
C412 C413 1.42(3) . ?
C413 C414 1.30(3) . ?
C414 C415 1.35(3) . ?
C415 C416 1.34(3) . ?
C421 C422 1.36(2) . ?
C421 C426 1.38(3) . ?
C422 C423 1.37(3) . ?
C423 C424 1.34(3) . ?
C424 C425 1.34(4) . ?
C425 C426 1.43(3) . ?
C511 C516 1.37(2) . ?
C511 C512 1.38(2) . ?
C512 C513 1.37(3) . ?
C513 C514 1.39(3) . ?
C514 C515 1.32(3) . ?
C515 C516 1.37(2) . ?
C521 C522 1.36(2) . ?
C521 C526 1.38(2) . ?
C522 C523 1.43(3) . ?
C523 C524 1.29(3) . ?
C524 C525 1.34(3) . ?
C525 C526 1.38(3) . ?
C611 C616 1.34(3) . ?
C611 C612 1.41(3) . ?
C612 C613 1.44(3) . ?
C613 C614 1.31(3) . ?
C614 C615 1.35(3) . ?
C615 C616 1.42(3) . ?
C621 C626 1.33(3) . ?
C621 C622 1.37(3) . ?
C622 C623 1.37(3) . ?
C623 C624 1.34(5) . ?
C624 C625 1.33(5) . ?
C625 C626 1.42(4) . ?
