#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/10/4311081.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_4311081
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            'C213.5 H120 Ag6 Cl2 Cu2 N0 O17 P6'
_chemical_formula_weight         3988.11
_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                93.457(6)
_cell_angle_beta                 91.477(4)
_cell_angle_gamma                109.051(6)
_cell_formula_units_Z            2
_cell_length_a                   15.440(7)
_cell_length_b                   17.120(8)
_cell_length_c                   26.736(12)
_cell_measurement_temperature    293(2)
_cell_volume                     6660(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0423
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            54225
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         0.76
_exptl_absorpt_coefficient_mu    1.376
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4002
_refine_diff_density_max         1.680
_refine_diff_density_min         -1.258
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1601
_refine_ls_number_reflns         32332
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1001P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1684
_refine_ls_wR_factor_ref         0.1953
_reflns_number_gt                23642
_reflns_number_total             32332
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0499244si20040118_090610_6.cif
_cod_data_source_block           6(Compound7)
_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        'C213.50 H120 Ag6 Cl2 Cu2 N0 O17 P6'
_cod_database_code               4311081
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 0.04461(3) -0.88120(3) 0.847492(16) 0.05853(12) Uani 1 1 d . . .
Ag2 Ag 0.06154(3) -0.92185(2) 0.738903(14) 0.04815(10) Uani 1 1 d . . .
Ag3 Ag 0.26799(2) -0.70205(3) 0.813082(15) 0.05296(11) Uani 1 1 d . . .
Ag4 Ag 0.37486(3) -0.73446(4) 0.726878(17) 0.06698(15) Uani 1 1 d . . .
Ag5 Ag 0.03595(3) -0.73265(3) 0.701004(13) 0.04440(10) Uani 1 1 d . . .
Ag6 Ag 0.15733(2) -0.73498(3) 0.613455(13) 0.04399(10) Uani 1 1 d . . .
Cu1 Cu 0.08597(4) -0.75256(4) 0.795139(19) 0.03714(13) Uani 1 1 d . . .
Cu2 Cu 0.19830(4) -0.78961(4) 0.703824(19) 0.03947(13) Uani 1 1 d . . .
Cl1 Cl -0.31282(11) 0.14912(13) 0.49334(7) 0.0770(5) Uani 1 1 d D . .
Cl2 Cl 0.11735(11) -0.29818(11) 0.86578(6) 0.0662(4) Uani 1 1 d D . .
P1 P 0.01238(9) -1.02095(8) 0.86602(4) 0.0448(3) Uani 1 1 d . . .
P2 P 0.04389(8) -1.06359(7) 0.75625(4) 0.0364(2) Uani 1 1 d . . .
P3 P 0.40514(8) -0.59687(8) 0.84876(4) 0.0403(3) Uani 1 1 d . . .
P4 P 0.51572(8) -0.64799(9) 0.76674(5) 0.0445(3) Uani 1 1 d . . .
P5 P -0.05204(8) -0.67082(8) 0.64993(4) 0.0361(2) Uani 1 1 d . . .
P6 P 0.07610(8) -0.66886(8) 0.56363(4) 0.0367(2) Uani 1 1 d . . .
O1 O 0.5406(4) -0.2656(4) 0.7061(3) 0.140(3) Uani 1 1 d . . .
O01 O -0.5334(8) -0.9132(7) 0.5779(5) 0.219(6) Uani 1 1 d . . .
O2 O -0.1752(3) -1.1733(3) 0.46079(15) 0.0675(12) Uani 1 1 d . . .
O02 O 0.4036(5) -0.8749(5) 0.6759(3) 0.137(3) Uani 1 1 d . . .
O3 O -0.5337(4) -1.0172(6) 0.6960(3) 0.146(3) Uani 1 1 d . . .
O4 O 0.4382(6) -1.1286(6) 0.8880(4) 0.159(3) Uani 1 1 d . . .
O5 O 0.4982(6) -0.5756(5) 0.4130(2) 0.145(3) Uani 1 1 d . . .
O6 O 0.3084(3) -0.5630(4) 1.12838(16) 0.0906(18) Uani 1 1 d . . .
O10 O 0.9021(6) -0.6158(9) 0.9189(3) 0.207(6) Uani 1 1 d D . .
O11 O -0.2349(8) 0.1683(9) 0.5242(6) 0.114(6) Uani 0.50 1 d PD A 1
O11' O -0.328(3) 0.1036(14) 0.5358(7) 0.261(18) Uani 0.50 1 d PD A 2
O12 O -0.3452(12) 0.0640(9) 0.4817(14) 0.223(15) Uani 0.50 1 d PD A 1
O12' O -0.3113(13) 0.0959(13) 0.4550(5) 0.144(8) Uani 0.50 1 d PD A 2
O13 O -0.3597(17) 0.2050(15) 0.4941(7) 0.183(10) Uani 0.50 1 d PD A 1
O13' O -0.3933(7) 0.1559(10) 0.5080(5) 0.112(5) Uani 0.50 1 d PD A 2
O14 O -0.3054(19) 0.1747(17) 0.4448(5) 0.225(13) Uani 0.50 1 d PD A 1
O14' O -0.2402(19) 0.2197(19) 0.5001(9) 0.32(2) Uani 0.50 1 d PD A 2
O21 O 0.1000(13) -0.3831(8) 0.8480(7) 0.138(6) Uani 0.50 1 d PD B 1
O21' O 0.1551(10) -0.3282(10) 0.8256(4) 0.105(4) Uiso 0.50 1 d PD B 2
O22 O 0.2003(8) -0.2513(15) 0.8487(9) 0.169(9) Uani 0.50 1 d PD B 1
O22' O 0.1823(10) -0.2324(13) 0.8917(11) 0.205(13) Uani 0.50 1 d PD B 2
O23 O 0.1161(12) -0.3027(12) 0.9159(3) 0.117(5) Uani 0.50 1 d PD B 1
O23' O 0.0781(13) -0.3674(11) 0.8935(8) 0.156(7) Uiso 0.50 1 d PD B 2
O24 O 0.0403(10) -0.2711(9) 0.8570(5) 0.087(4) Uani 0.50 1 d PD B 1
O24' O 0.0454(7) -0.2738(9) 0.8434(4) 0.072(3) Uani 0.50 1 d PD B 2
C1 C 0.1334(3) -0.7485(3) 0.86607(17) 0.0448(11) Uani 1 1 d . . .
C01 C 0.9795(8) -0.5909(12) 0.8890(6) 0.221(9) Uani 1 1 d D . .
H01A H 1.0241 -0.6163 0.8995 0.265 Uiso 1 1 calc R . .
H01B H 1.0081 -0.5312 0.8933 0.265 Uiso 1 1 calc R . .
C2 C 0.1479(3) -0.7284(3) 0.91019(17) 0.0433(10) Uani 1 1 d . . .
C02 C 0.9500(15) -0.6169(14) 0.8343(5) 0.316(16) Uani 1 1 d D . .
H02A H 1.0031 -0.6025 0.8144 0.474 Uiso 1 1 calc R . .
H02B H 0.9089 -0.5889 0.8235 0.474 Uiso 1 1 calc R . .
H02C H 0.9195 -0.6757 0.8304 0.474 Uiso 1 1 calc R . .
C3 C 0.1664(3) -0.6962(3) 0.96202(16) 0.0462(11) Uani 1 1 d . . .
C03 C 0.9242(19) -0.573(2) 0.9671(7) 0.42(2) Uiso 1 1 d D . .
H03A H 0.9440 -0.5134 0.9656 0.509 Uiso 1 1 calc R . .
H03B H 0.9697 -0.5887 0.9859 0.509 Uiso 1 1 calc R . .
C4 C 0.0977(4) -0.6925(5) 0.9920(2) 0.0673(18) Uani 1 1 d . . .
H63A H 0.0372 -0.7134 0.9794 0.081 Uiso 1 1 calc R . .
C04 C 0.829(2) -0.607(2) 0.9873(12) 0.386(18) Uiso 1 1 d D . .
H04A H 0.8342 -0.6132 1.0227 0.579 Uiso 1 1 calc R . .
H04B H 0.7969 -0.6606 0.9704 0.579 Uiso 1 1 calc R . .
H04C H 0.7953 -0.5702 0.9816 0.579 Uiso 1 1 calc R . .
C5 C 0.1160(4) -0.6584(5) 1.0406(2) 0.0642(17) Uani 1 1 d . . .
H64A H 0.0678 -0.6570 1.0604 0.077 Uiso 1 1 calc R . .
C6 C 0.2053(4) -0.6260(3) 1.06045(17) 0.0501(12) Uani 1 1 d . . .
C7 C 0.2736(4) -0.6325(5) 1.0309(2) 0.071(2) Uani 1 1 d . . .
H66A H 0.3339 -0.6129 1.0439 0.086 Uiso 1 1 calc R . .
C8 C 0.2562(4) -0.6669(5) 0.9828(2) 0.074(2) Uani 1 1 d . . .
H67A H 0.3043 -0.6709 0.9637 0.088 Uiso 1 1 calc R . .
C9 C 0.2296(4) -0.5857(4) 1.11258(19) 0.0597(15) Uani 1 1 d . . .
C10 C 0.1568(6) -0.5730(7) 1.1436(3) 0.105(3) Uani 1 1 d . . .
H69A H 0.1830 -0.5472 1.1758 0.158 Uiso 1 1 calc R . .
H69B H 0.1110 -0.6255 1.1477 0.158 Uiso 1 1 calc R . .
H69C H 0.1291 -0.5380 1.1272 0.158 Uiso 1 1 calc R . .
C11 C 0.2368(3) -0.8355(3) 0.76322(17) 0.0427(10) Uani 1 1 d . . .
C12 C 0.2654(3) -0.8753(3) 0.79097(18) 0.0446(11) Uani 1 1 d . . .
C13 C 0.2972(3) -0.9290(3) 0.8210(2) 0.0488(12) Uani 1 1 d . . .
C14 C 0.2864(4) -0.9283(4) 0.8722(2) 0.0573(14) Uani 1 1 d . . .
H43A H 0.2593 -0.8930 0.8881 0.069 Uiso 1 1 calc R . .
C15 C 0.3176(5) -0.9829(4) 0.8999(2) 0.0684(17) Uani 1 1 d . . .
H44A H 0.3098 -0.9836 0.9342 0.082 Uiso 1 1 calc R . .
C16 C 0.3590(5) -1.0347(5) 0.8773(3) 0.0753(19) Uani 1 1 d . . .
C17 C 0.3674(5) -1.0342(4) 0.8272(3) 0.0750(19) Uani 1 1 d . . .
H46A H 0.3940 -1.0700 0.8115 0.090 Uiso 1 1 calc R . .
C18 C 0.3380(4) -0.9825(4) 0.7985(2) 0.0618(15) Uani 1 1 d . . .
H47A H 0.3454 -0.9836 0.7641 0.074 Uiso 1 1 calc R . .
C19 C 0.3929(7) -1.0915(6) 0.9065(4) 0.109(3) Uani 1 1 d . . .
C20 C 0.3705(9) -1.1025(8) 0.9586(4) 0.150(5) Uani 1 1 d . . .
H49A H 0.3975 -1.1407 0.9717 0.225 Uiso 1 1 calc R . .
H49B H 0.3051 -1.1239 0.9608 0.225 Uiso 1 1 calc R . .
H49C H 0.3942 -1.0501 0.9778 0.225 Uiso 1 1 calc R . .
C21 C -0.0294(3) -0.8359(3) 0.77159(17) 0.0414(10) Uani 1 1 d . . .
C22 C -0.1068(3) -0.8758(3) 0.75569(19) 0.0441(11) Uani 1 1 d . . .
C23 C -0.1968(3) -0.9167(3) 0.7345(2) 0.0473(11) Uani 1 1 d . . .
C24 C -0.2743(4) -0.9344(4) 0.7643(3) 0.0609(15) Uani 1 1 d . . .
H33A H -0.2667 -0.9225 0.7988 0.073 Uiso 1 1 calc R . .
C25 C -0.3598(4) -0.9688(4) 0.7425(3) 0.0736(19) Uani 1 1 d . . .
H34A H -0.4104 -0.9784 0.7623 0.088 Uiso 1 1 calc R . .
C26 C -0.3734(4) -0.9899(4) 0.6919(3) 0.077(2) Uani 1 1 d . . .
C27 C -0.2978(5) -0.9754(5) 0.6627(3) 0.088(2) Uani 1 1 d . . .
H36A H -0.3058 -0.9913 0.6285 0.106 Uiso 1 1 calc R . .
C28 C -0.2116(4) -0.9378(5) 0.6839(2) 0.0691(18) Uani 1 1 d . . .
H37A H -0.1616 -0.9262 0.6636 0.083 Uiso 1 1 calc R . .
C29 C -0.4697(6) -1.0257(8) 0.6694(5) 0.128(4) Uani 1 1 d . . .
C30 C -0.4821(9) -1.0676(13) 0.6187(7) 0.262(12) Uani 1 1 d . . .
H39A H -0.5461 -1.0874 0.6086 0.393 Uiso 1 1 calc R . .
H39B H -0.4593 -1.1135 0.6188 0.393 Uiso 1 1 calc R . .
H39C H -0.4489 -1.0292 0.5956 0.393 Uiso 1 1 calc R . .
C31 C 0.0822(3) -0.8504(3) 0.66425(16) 0.0395(10) Uani 1 1 d . . .
C32 C 0.0287(3) -0.8974(3) 0.63403(16) 0.0381(9) Uani 1 1 d . . .
C33 C -0.0292(3) -0.9508(3) 0.59393(16) 0.0383(9) Uani 1 1 d . . .
C34 C -0.0221(4) -1.0289(3) 0.5820(2) 0.0595(15) Uani 1 1 d . . .
H23A H 0.0169 -1.0480 0.6012 0.071 Uiso 1 1 calc R . .
C35 C -0.0731(4) -1.0774(4) 0.5418(2) 0.0614(15) Uani 1 1 d . . .
H24A H -0.0671 -1.1288 0.5335 0.074 Uiso 1 1 calc R . .
C36 C -0.1330(3) -1.0513(3) 0.51347(17) 0.0408(10) Uani 1 1 d . . .
C37 C -0.1428(5) -0.9772(4) 0.5271(3) 0.075(2) Uani 1 1 d . . .
H26A H -0.1842 -0.9598 0.5087 0.090 Uiso 1 1 calc R . .
C38 C -0.0932(5) -0.9270(4) 0.5671(3) 0.077(2) Uani 1 1 d . . .
H27A H -0.1027 -0.8772 0.5762 0.092 Uiso 1 1 calc R . .
C39 C -0.1823(4) -1.1048(3) 0.46845(19) 0.0498(12) Uani 1 1 d . . .
C40 C -0.2377(5) -1.0739(5) 0.4334(3) 0.081(2) Uani 1 1 d . . .
H29A H -0.2647 -1.1157 0.4067 0.121 Uiso 1 1 calc R . .
H29B H -0.1989 -1.0248 0.4196 0.121 Uiso 1 1 calc R . .
H29C H -0.2853 -1.0613 0.4511 0.121 Uiso 1 1 calc R . .
C41 C 0.2915(3) -0.7249(3) 0.65818(16) 0.0424(10) Uani 1 1 d . . .
C42 C 0.3331(3) -0.6990(3) 0.62089(18) 0.0472(12) Uani 1 1 d . . .
C43 C 0.3813(3) -0.6787(4) 0.57584(18) 0.0504(12) Uani 1 1 d . . .
C44 C 0.3744(5) -0.6129(4) 0.5490(3) 0.0690(17) Uani 1 1 d . . .
H53A H 0.3427 -0.5789 0.5617 0.083 Uiso 1 1 calc R . .
C45 C 0.4150(5) -0.5993(5) 0.5036(3) 0.078(2) Uani 1 1 d . . .
H54A H 0.4078 -0.5575 0.4849 0.093 Uiso 1 1 calc R . .
C46 C 0.4656(4) -0.6458(5) 0.4856(2) 0.0698(18) Uani 1 1 d . . .
C47 C 0.4756(5) -0.7079(5) 0.5143(3) 0.082(2) Uani 1 1 d . . .
H56A H 0.5115 -0.7391 0.5029 0.098 Uiso 1 1 calc R . .
C48 C 0.4344(4) -0.7236(5) 0.5581(2) 0.0701(18) Uani 1 1 d . . .
H57A H 0.4421 -0.7655 0.5766 0.084 Uiso 1 1 calc R . .
C49 C 0.5074(6) -0.6310(6) 0.4356(3) 0.094(3) Uani 1 1 d . . .
C50 C 0.5600(8) -0.6826(9) 0.4165(4) 0.143(5) Uani 1 1 d . . .
H59A H 0.5824 -0.6655 0.3844 0.215 Uiso 1 1 calc R . .
H59B H 0.5214 -0.7395 0.4131 0.215 Uiso 1 1 calc R . .
H59C H 0.6109 -0.6766 0.4395 0.215 Uiso 1 1 calc R . .
C51 C 0.1571(3) -0.6581(3) 0.75890(17) 0.0397(9) Uani 1 1 d . . .
C52 C 0.2102(3) -0.5914(3) 0.74939(16) 0.0405(10) Uani 1 1 d . . .
C53 C 0.2731(3) -0.5113(3) 0.74262(16) 0.0391(10) Uani 1 1 d . . .
C54 C 0.2619(3) -0.4405(3) 0.76705(17) 0.0434(10) Uani 1 1 d . . .
H13A H 0.2109 -0.4451 0.7859 0.052 Uiso 1 1 calc R . .
C55 C 0.3267(4) -0.3646(3) 0.76291(19) 0.0493(12) Uani 1 1 d . . .
H14A H 0.3190 -0.3181 0.7794 0.059 Uiso 1 1 calc R . .
C56 C 0.4029(3) -0.3550(3) 0.7351(2) 0.0509(12) Uani 1 1 d . . .
C57 C 0.4122(3) -0.4238(4) 0.7091(2) 0.0534(13) Uani 1 1 d . . .
H16A H 0.4616 -0.4180 0.6887 0.064 Uiso 1 1 calc R . .
C58 C 0.3489(3) -0.5009(3) 0.71304(19) 0.0476(11) Uani 1 1 d . . .
H17A H 0.3566 -0.5469 0.6958 0.057 Uiso 1 1 calc R . .
C59 C 0.4754(5) -0.2720(4) 0.7324(3) 0.081(2) Uani 1 1 d . . .
C60 C 0.4657(7) -0.1997(4) 0.7611(4) 0.106(3) Uani 1 1 d . . .
H19A H 0.5167 -0.1514 0.7555 0.159 Uiso 1 1 calc R . .
H19B H 0.4644 -0.2089 0.7962 0.159 Uiso 1 1 calc R . .
H19C H 0.4097 -0.1915 0.7503 0.159 Uiso 1 1 calc R . .
C71 C 0.4998(3) -0.5639(3) 0.80689(17) 0.0451(11) Uani 1 1 d . . .
H1A H 0.5560 -0.5366 0.8270 0.054 Uiso 1 1 calc R . .
H1B H 0.4892 -0.5235 0.7858 0.054 Uiso 1 1 calc R . .
C72 C 0.0642(3) -1.0781(3) 0.82240(16) 0.0428(10) Uani 1 1 d . . .
H2A H 0.1298 -1.0602 0.8300 0.051 Uiso 1 1 calc R . .
H2B H 0.0396 -1.1367 0.8277 0.051 Uiso 1 1 calc R . .
C73 C -0.0419(3) -0.6869(3) 0.58214(16) 0.0377(9) Uani 1 1 d . . .
H3A H -0.0787 -0.7433 0.5711 0.045 Uiso 1 1 calc R . .
H3B H -0.0669 -0.6500 0.5650 0.045 Uiso 1 1 calc R . .
C101 C 0.5998(3) -0.5892(3) 0.72476(19) 0.0472(11) Uani 1 1 d . . .
C102 C 0.5676(4) -0.5671(6) 0.6813(3) 0.080(2) Uani 1 1 d . . .
H10A H 0.5048 -0.5835 0.6738 0.097 Uiso 1 1 calc R . .
C103 C 0.6268(6) -0.5216(6) 0.6494(3) 0.098(3) Uani 1 1 d . . .
H10B H 0.6039 -0.5061 0.6205 0.118 Uiso 1 1 calc R . .
C104 C 0.7182(5) -0.4981(5) 0.6584(3) 0.090(2) Uani 1 1 d . . .
H10C H 0.7576 -0.4678 0.6355 0.108 Uiso 1 1 calc R . .
C105 C 0.7530(4) -0.5186(4) 0.7009(3) 0.0719(18) Uani 1 1 d . . .
H10D H 0.8160 -0.5007 0.7078 0.086 Uiso 1 1 calc R . .
C106 C 0.6945(3) -0.5658(4) 0.7337(2) 0.0575(14) Uani 1 1 d . . .
H10E H 0.7183 -0.5824 0.7620 0.069 Uiso 1 1 calc R . .
C111 C 0.5689(3) -0.7014(4) 0.80729(19) 0.0493(12) Uani 1 1 d . . .
C112 C 0.6408(4) -0.6603(4) 0.8419(2) 0.0629(15) Uani 1 1 d . . .
H11A H 0.6639 -0.6027 0.8442 0.075 Uiso 1 1 calc R . .
C113 C 0.6781(5) -0.7041(6) 0.8727(3) 0.083(2) Uani 1 1 d . . .
H11B H 0.7269 -0.6762 0.8952 0.099 Uiso 1 1 calc R . .
C114 C 0.6432(6) -0.7880(6) 0.8701(3) 0.091(2) Uani 1 1 d . . .
H11C H 0.6676 -0.8174 0.8913 0.109 Uiso 1 1 calc R . .
C115 C 0.5725(5) -0.8299(5) 0.8363(3) 0.0782(19) Uani 1 1 d . . .
H11D H 0.5495 -0.8875 0.8344 0.094 Uiso 1 1 calc R . .
C116 C 0.5356(4) -0.7866(4) 0.8052(2) 0.0582(14) Uani 1 1 d . . .
H11E H 0.4874 -0.8153 0.7825 0.070 Uiso 1 1 calc R . .
C201 C 0.4548(3) -0.6298(3) 0.90290(17) 0.0448(11) Uani 1 1 d . . .
C202 C 0.5114(4) -0.5757(4) 0.9392(2) 0.0656(16) Uani 1 1 d . . .
H20A H 0.5259 -0.5189 0.9369 0.079 Uiso 1 1 calc R . .
C203 C 0.5469(6) -0.6052(5) 0.9792(2) 0.082(2) Uani 1 1 d . . .
H20B H 0.5841 -0.5680 1.0039 0.098 Uiso 1 1 calc R . .
C204 C 0.5282(6) -0.6874(6) 0.9827(3) 0.092(3) Uani 1 1 d . . .
H20C H 0.5531 -0.7066 1.0095 0.111 Uiso 1 1 calc R . .
C205 C 0.4722(5) -0.7425(5) 0.9466(2) 0.0748(18) Uani 1 1 d . . .
H20D H 0.4597 -0.7991 0.9487 0.090 Uiso 1 1 calc R . .
C206 C 0.4346(4) -0.7138(4) 0.9073(2) 0.0543(13) Uani 1 1 d . . .
H20E H 0.3952 -0.7514 0.8835 0.065 Uiso 1 1 calc R . .
C211 C 0.3866(3) -0.5010(3) 0.86960(17) 0.0433(10) Uani 1 1 d . . .
C212 C 0.2994(4) -0.5055(4) 0.8835(2) 0.0559(13) Uani 1 1 d . . .
H21A H 0.2538 -0.5568 0.8835 0.067 Uiso 1 1 calc R . .
C213 C 0.2796(5) -0.4343(5) 0.8975(2) 0.0654(16) Uani 1 1 d . . .
H21B H 0.2213 -0.4380 0.9078 0.079 Uiso 1 1 calc R . .
C214 C 0.3447(5) -0.3594(4) 0.8963(2) 0.0683(17) Uani 1 1 d . . .
H21C H 0.3299 -0.3117 0.9041 0.082 Uiso 1 1 calc R . .
C215 C 0.4330(5) -0.3523(4) 0.8838(2) 0.0683(16) Uani 1 1 d . . .
H21D H 0.4782 -0.3005 0.8850 0.082 Uiso 1 1 calc R . .
C216 C 0.4532(4) -0.4222(4) 0.8697(2) 0.0585(14) Uani 1 1 d . . .
H21E H 0.5119 -0.4175 0.8599 0.070 Uiso 1 1 calc R . .
C301 C -0.1089(4) -1.0808(3) 0.86310(18) 0.0499(12) Uani 1 1 d . . .
C302 C -0.1417(5) -1.1614(4) 0.8743(4) 0.087(2) Uani 1 1 d . . .
H30A H -0.1018 -1.1885 0.8847 0.105 Uiso 1 1 calc R . .
C303 C -0.2355(6) -1.2025(5) 0.8701(4) 0.107(3) Uani 1 1 d . . .
H30B H -0.2573 -1.2577 0.8776 0.128 Uiso 1 1 calc R . .
C304 C -0.2629(6) -1.0839(8) 0.8483(5) 0.159(6) Uani 1 1 d . . .
H30C H -0.3040 -1.0557 0.8423 0.190 Uiso 1 1 calc R . .
C305 C -0.2945(6) -1.1677(7) 0.8563(4) 0.122(4) Uani 1 1 d . . .
H30D H -0.3566 -1.1982 0.8518 0.146 Uiso 1 1 calc R . .
C306 C -0.1693(6) -1.0430(6) 0.8496(4) 0.106(3) Uani 1 1 d . . .
H30E H -0.1475 -0.9884 0.8410 0.127 Uiso 1 1 calc R . .
C311 C 0.0620(4) -1.0333(4) 0.92650(18) 0.0546(13) Uani 1 1 d . . .
C312 C 0.0965(4) -0.9634(5) 0.9593(2) 0.0679(17) Uani 1 1 d . . .
H31A H 0.0906 -0.9132 0.9513 0.081 Uiso 1 1 calc R . .
C313 C 0.1406(5) -0.9693(6) 1.0052(2) 0.092(3) Uani 1 1 d . . .
H31B H 0.1641 -0.9228 1.0275 0.110 Uiso 1 1 calc R . .
C314 C 0.1488(6) -1.0435(7) 1.0169(3) 0.105(3) Uani 1 1 d . . .
H31C H 0.1784 -1.0471 1.0470 0.126 Uiso 1 1 calc R . .
C315 C 0.1141(7) -1.1116(7) 0.9848(3) 0.101(3) Uani 1 1 d . . .
H31D H 0.1182 -1.1622 0.9933 0.121 Uiso 1 1 calc R . .
C316 C 0.0726(6) -1.1063(5) 0.9392(2) 0.083(2) Uani 1 1 d . . .
H31E H 0.0515 -1.1530 0.9168 0.100 Uiso 1 1 calc R . .
C401 C 0.1263(3) -1.1036(3) 0.72582(16) 0.0387(10) Uani 1 1 d . . .
C402 C 0.1471(4) -1.1713(4) 0.7410(2) 0.0563(13) Uani 1 1 d . . .
H40A H 0.1191 -1.1984 0.7684 0.068 Uiso 1 1 calc R . .
C403 C 0.2095(4) -1.1990(4) 0.7154(3) 0.0681(17) Uani 1 1 d . . .
H40B H 0.2228 -1.2450 0.7256 0.082 Uiso 1 1 calc R . .
C404 C 0.2522(4) -1.1597(4) 0.6751(2) 0.0638(16) Uani 1 1 d . . .
H40C H 0.2930 -1.1796 0.6577 0.077 Uiso 1 1 calc R . .
C405 C 0.2341(4) -1.0910(4) 0.6607(2) 0.0601(15) Uani 1 1 d . . .
H40D H 0.2644 -1.0632 0.6341 0.072 Uiso 1 1 calc R . .
C406 C 0.1722(3) -1.0625(4) 0.68501(17) 0.0483(12) Uani 1 1 d . . .
H40E H 0.1603 -1.0159 0.6746 0.058 Uiso 1 1 calc R . .
C411 C -0.0675(3) -1.1401(3) 0.73866(17) 0.0430(10) Uani 1 1 d . . .
C412 C -0.0911(4) -1.2217(4) 0.7493(2) 0.0581(14) Uani 1 1 d . . .
H41A H -0.0489 -1.2392 0.7669 0.070 Uiso 1 1 calc R . .
C413 C -0.1759(5) -1.2785(5) 0.7344(3) 0.078(2) Uani 1 1 d . . .
H41B H -0.1903 -1.3338 0.7414 0.093 Uiso 1 1 calc R . .
C414 C -0.2389(5) -1.2516(6) 0.7091(4) 0.095(3) Uani 1 1 d . . .
H41C H -0.2969 -1.2886 0.6996 0.114 Uiso 1 1 calc R . .
C415 C -0.2163(5) -1.1714(6) 0.6979(4) 0.103(3) Uani 1 1 d . . .
H41D H -0.2585 -1.1540 0.6802 0.123 Uiso 1 1 calc R . .
C416 C -0.1312(4) -1.1153(4) 0.7126(3) 0.0736(18) Uani 1 1 d . . .
H41E H -0.1167 -1.0603 0.7049 0.088 Uiso 1 1 calc R . .
C501 C -0.0260(3) -0.5596(3) 0.66252(18) 0.0414(10) Uani 1 1 d . . .
C502 C -0.0492(4) -0.5105(3) 0.6278(2) 0.0561(13) Uani 1 1 d . . .
H50A H -0.0768 -0.5347 0.5968 0.067 Uiso 1 1 calc R . .
C503 C -0.0320(5) -0.4288(4) 0.6386(3) 0.0728(18) Uani 1 1 d . . .
H50B H -0.0468 -0.3972 0.6147 0.087 Uiso 1 1 calc R . .
C504 C 0.0065(5) -0.3921(5) 0.6837(4) 0.084(2) Uani 1 1 d . . .
H50C H 0.0170 -0.3358 0.6907 0.100 Uiso 1 1 calc R . .
C505 C 0.0298(5) -0.4366(5) 0.7187(3) 0.083(2) Uani 1 1 d . . .
H50D H 0.0557 -0.4109 0.7497 0.099 Uiso 1 1 calc R . .
C506 C 0.0147(4) -0.5226(4) 0.7080(2) 0.0615(15) Uani 1 1 d . . .
H50E H 0.0320 -0.5533 0.7316 0.074 Uiso 1 1 calc R . .
C511 C -0.1743(3) -0.7102(3) 0.6579(2) 0.0456(11) Uani 1 1 d . . .
C512 C -0.2393(4) -0.7179(5) 0.6211(3) 0.082(2) Uani 1 1 d . . .
H51A H -0.2217 -0.7041 0.5889 0.098 Uiso 1 1 calc R . .
C513 C -0.3325(4) -0.7463(7) 0.6309(4) 0.114(4) Uani 1 1 d . . .
H51B H -0.3764 -0.7506 0.6055 0.137 Uiso 1 1 calc R . .
C514 C -0.3587(5) -0.7678(5) 0.6777(3) 0.093(3) Uani 1 1 d . . .
H51C H -0.4207 -0.7876 0.6842 0.112 Uiso 1 1 calc R . .
C515 C -0.2939(5) -0.7601(5) 0.7153(3) 0.088(2) Uani 1 1 d . . .
H51D H -0.3124 -0.7745 0.7473 0.105 Uiso 1 1 calc R . .
C516 C -0.2013(4) -0.7312(4) 0.7064(3) 0.0653(16) Uani 1 1 d . . .
H51E H -0.1577 -0.7258 0.7322 0.078 Uiso 1 1 calc R . .
C601 C 0.0643(4) -0.7012(3) 0.49663(16) 0.0432(10) Uani 1 1 d . . .
C602 C 0.1436(4) -0.6881(4) 0.47142(19) 0.0570(14) Uani 1 1 d . . .
H60A H 0.2000 -0.6611 0.4882 0.068 Uiso 1 1 calc R . .
C603 C 0.1402(5) -0.7147(4) 0.4214(2) 0.0712(18) Uani 1 1 d . . .
H60B H 0.1943 -0.7053 0.4047 0.085 Uiso 1 1 calc R . .
C604 C 0.0588(5) -0.7543(4) 0.3967(2) 0.0691(18) Uani 1 1 d . . .
H60C H 0.0572 -0.7723 0.3630 0.083 Uiso 1 1 calc R . .
C605 C -0.0220(5) -0.7680(4) 0.4209(2) 0.0659(17) Uani 1 1 d . . .
H60D H -0.0779 -0.7951 0.4037 0.079 Uiso 1 1 calc R . .
C606 C -0.0194(4) -0.7412(3) 0.47110(18) 0.0508(12) Uani 1 1 d . . .
H60E H -0.0737 -0.7500 0.4876 0.061 Uiso 1 1 calc R . .
C611 C 0.1255(3) -0.5561(3) 0.56711(17) 0.0401(10) Uani 1 1 d . . .
C612 C 0.1748(4) -0.5162(3) 0.61033(19) 0.0501(12) Uani 1 1 d . . .
H61A H 0.1872 -0.5474 0.6352 0.060 Uiso 1 1 calc R . .
C613 C 0.2057(5) -0.4318(4) 0.6173(2) 0.0685(17) Uani 1 1 d . . .
H61B H 0.2362 -0.4059 0.6473 0.082 Uiso 1 1 calc R . .
C614 C 0.1917(5) -0.3850(4) 0.5796(3) 0.0703(17) Uani 1 1 d . . .
H61C H 0.2140 -0.3275 0.5838 0.084 Uiso 1 1 calc R . .
C615 C 0.1447(5) -0.4237(4) 0.5360(3) 0.0773(19) Uani 1 1 d . . .
H61D H 0.1353 -0.3921 0.5106 0.093 Uiso 1 1 calc R . .
C616 C 0.1107(4) -0.5099(4) 0.52940(19) 0.0563(14) Uani 1 1 d . . .
H61E H 0.0785 -0.5360 0.4998 0.068 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
C1 Ag1 P1 146.35(13) . . ?
C1 Ag1 C21 89.71(17) . . ?
P1 Ag1 C21 123.65(11) . . ?
C1 Ag1 Cu1 48.24(13) . . ?
P1 Ag1 Cu1 158.85(4) . . ?
C21 Ag1 Cu1 44.13(10) . . ?
C1 Ag1 Ag2 107.57(12) . . ?
P1 Ag1 Ag2 92.04(4) . . ?
C21 Ag1 Ag2 52.36(11) . . ?
Cu1 Ag1 Ag2 66.85(3) . . ?
C31 Ag2 P2 133.37(12) . . ?
C31 Ag2 C21 89.55(17) . . ?
P2 Ag2 C21 127.37(12) . . ?
C31 Ag2 C11 86.34(15) . . ?
P2 Ag2 C11 105.44(12) . . ?
C21 Ag2 C11 106.24(15) . . ?
C31 Ag2 Cu2 44.65(11) . . ?
P2 Ag2 Cu2 136.23(4) . . ?
C21 Ag2 Cu2 94.56(12) . . ?
C11 Ag2 Cu2 42.49(11) . . ?
C31 Ag2 Ag1 136.72(12) . . ?
P2 Ag2 Ag1 89.90(3) . . ?
C21 Ag2 Ag1 55.52(11) . . ?
C11 Ag2 Ag1 81.06(10) . . ?
Cu2 Ag2 Ag1 107.63(3) . . ?
C31 Ag2 Cu1 86.44(12) . . ?
P2 Ag2 Cu1 139.96(4) . . ?
C21 Ag2 Cu1 38.98(10) . . ?
C11 Ag2 Cu1 67.26(11) . . ?
Cu2 Ag2 Cu1 65.47(3) . . ?
Ag1 Ag2 Cu1 50.510(17) . . ?
P3 Ag3 C11 134.46(12) . . ?
P3 Ag3 C1 118.31(11) . . ?
C11 Ag3 C1 96.26(16) . . ?
P3 Ag3 C51 118.56(12) . . ?
C11 Ag3 C51 93.08(16) . . ?
C1 Ag3 C51 82.47(16) . . ?
P3 Ag3 Cu1 148.56(4) . . ?
C11 Ag3 Cu1 76.91(11) . . ?
C1 Ag3 Cu1 45.50(11) . . ?
C51 Ag3 Cu1 44.06(11) . . ?
P3 Ag3 Ag4 89.39(4) . . ?
C11 Ag3 Ag4 53.99(11) . . ?
C1 Ag3 Ag4 150.04(12) . . ?
C51 Ag3 Ag4 94.55(11) . . ?
Cu1 Ag3 Ag4 114.89(3) . . ?
P3 Ag3 Cu2 135.55(3) . . ?
C11 Ag3 Cu2 38.19(11) . . ?
C1 Ag3 Cu2 105.62(11) . . ?
C51 Ag3 Cu2 58.74(11) . . ?
Cu1 Ag3 Cu2 64.932(17) . . ?
Ag4 Ag3 Cu2 49.97(3) . . ?
C41 Ag4 P4 133.79(13) . . ?
C41 Ag4 C11 92.08(16) . . ?
P4 Ag4 C11 130.20(11) . . ?
C41 Ag4 Cu2 47.68(12) . . ?
P4 Ag4 Cu2 157.96(4) . . ?
C11 Ag4 Cu2 45.08(11) . . ?
C41 Ag4 Ag3 104.17(12) . . ?
P4 Ag4 Ag3 91.87(5) . . ?
C11 Ag4 Ag3 52.32(11) . . ?
Cu2 Ag4 Ag3 68.90(3) . . ?
C51 Ag5 P5 124.79(12) . . ?
C51 Ag5 C31 105.09(15) . . ?
P5 Ag5 C31 119.86(11) . . ?
C51 Ag5 C21 87.74(15) . . ?
P5 Ag5 C21 125.74(11) . . ?
C31 Ag5 C21 83.08(15) . . ?
C51 Ag5 Cu1 45.13(12) . . ?
P5 Ag5 Cu1 145.23(3) . . ?
C31 Ag5 Cu1 93.29(10) . . ?
C21 Ag5 Cu1 42.69(10) . . ?
C51 Ag5 Cu2 63.85(12) . . ?
P5 Ag5 Cu2 144.24(3) . . ?
C31 Ag5 Cu2 41.55(10) . . ?
C21 Ag5 Cu2 86.65(11) . . ?
Cu1 Ag5 Cu2 68.18(2) . . ?
C51 Ag5 Ag6 95.61(12) . . ?
P5 Ag5 Ag6 89.43(4) . . ?
C31 Ag5 Ag6 51.30(10) . . ?
C21 Ag5 Ag6 133.60(11) . . ?
Cu1 Ag5 Ag6 121.96(3) . . ?
Cu2 Ag5 Ag6 54.90(2) . . ?
C41 Ag6 P6 147.57(13) . . ?
C41 Ag6 C31 86.22(16) . . ?
P6 Ag6 C31 123.56(12) . . ?
C41 Ag6 O2 97.81(16) . 2_536 ?
P6 Ag6 O2 92.56(11) . 2_536 ?
C31 Ag6 O2 94.68(16) . 2_536 ?
C41 Ag6 C42 28.37(16) . . ?
P6 Ag6 C42 125.81(13) . . ?
C31 Ag6 C42 110.62(16) . . ?
O2 Ag6 C42 81.61(16) 2_536 . ?
C41 Ag6 Cu2 45.18(12) . . ?
P6 Ag6 Cu2 152.10(3) . . ?
C31 Ag6 Cu2 44.28(10) . . ?
O2 Ag6 Cu2 111.83(11) 2_536 . ?
C42 Ag6 Cu2 73.16(11) . . ?
C41 Ag6 Ag5 98.91(11) . . ?
P6 Ag6 Ag5 91.26(4) . . ?
C31 Ag6 Ag5 52.96(11) . . ?
O2 Ag6 Ag5 142.04(11) 2_536 . ?
C42 Ag6 Ag5 124.97(11) . . ?
Cu2 Ag6 Ag5 61.26(3) . . ?
C21 Cu1 C51 126.2(2) . . ?
C21 Cu1 C1 120.0(2) . . ?
C51 Cu1 C1 113.2(2) . . ?
C21 Cu1 Ag1 67.71(15) . . ?
C51 Cu1 Ag1 161.29(14) . . ?
C1 Cu1 Ag1 57.04(15) . . ?
C21 Cu1 Ag3 151.82(15) . . ?
C51 Cu1 Ag3 64.18(13) . . ?
C1 Cu1 Ag3 62.13(14) . . ?
Ag1 Cu1 Ag3 97.70(3) . . ?
C21 Cu1 Ag5 67.72(14) . . ?
C51 Cu1 Ag5 58.61(13) . . ?
C1 Cu1 Ag5 171.15(15) . . ?
Ag1 Cu1 Ag5 131.79(3) . . ?
Ag3 Cu1 Ag5 113.46(2) . . ?
C21 Cu1 Ag2 53.42(15) . . ?
C51 Cu1 Ag2 113.31(14) . . ?
C1 Cu1 Ag2 111.26(16) . . ?
Ag1 Cu1 Ag2 62.64(4) . . ?
Ag3 Cu1 Ag2 98.67(2) . . ?
Ag5 Cu1 Ag2 76.51(3) . . ?
C11 Cu2 C31 121.4(2) . . ?
C11 Cu2 C41 120.5(2) . . ?
C31 Cu2 C41 109.46(18) . . ?
C11 Cu2 Ag4 64.93(14) . . ?
C31 Cu2 Ag4 158.04(14) . . ?
C41 Cu2 Ag4 56.69(13) . . ?
C11 Cu2 Ag6 172.72(15) . . ?
C31 Cu2 Ag6 59.21(14) . . ?
C41 Cu2 Ag6 55.22(14) . . ?
Ag4 Cu2 Ag6 111.68(2) . . ?
C11 Cu2 Ag2 65.84(14) . . ?
C31 Cu2 Ag2 57.04(14) . . ?
C41 Cu2 Ag2 159.40(14) . . ?
Ag4 Cu2 Ag2 129.78(3) . . ?
Ag6 Cu2 Ag2 115.96(3) . . ?
C11 Cu2 Ag5 123.05(14) . . ?
C31 Cu2 Ag5 56.58(15) . . ?
C41 Cu2 Ag5 109.49(15) . . ?
Ag4 Cu2 Ag5 140.87(4) . . ?
Ag6 Cu2 Ag5 63.835(19) . . ?
Ag2 Cu2 Ag5 77.21(4) . . ?
C11 Cu2 Ag3 50.70(15) . . ?
C31 Cu2 Ag3 140.32(13) . . ?
C41 Cu2 Ag3 104.58(13) . . ?
Ag4 Cu2 Ag3 61.130(17) . . ?
Ag6 Cu2 Ag3 134.32(4) . . ?
Ag2 Cu2 Ag3 94.21(3) . . ?
Ag5 Cu2 Ag3 93.30(2) . . ?
O12' Cl1 O13' 120.3(11) . . ?
O12' Cl1 O14' 117.0(16) . . ?
O13' Cl1 O14' 115(2) . . ?
O12' Cl1 O13 126.4(12) . . ?
O13' Cl1 O13 40.2(10) . . ?
O14' Cl1 O13 82(2) . . ?
O12' Cl1 O11 111.2(9) . . ?
O13' Cl1 O11 124.3(9) . . ?
O14' Cl1 O11 49.5(16) . . ?
O13 Cl1 O11 117.4(12) . . ?
O12' Cl1 O12 42.1(14) . . ?
O13' Cl1 O12 96.4(12) . . ?
O14' Cl1 O12 148(2) . . ?
O13 Cl1 O12 129.4(15) . . ?
O11 Cl1 O12 108.6(12) . . ?
O12' Cl1 O14 60.2(12) . . ?
O13' Cl1 O14 104.5(15) . . ?
O14' Cl1 O14 79.4(14) . . ?
O13 Cl1 O14 77.0(15) . . ?
O11 Cl1 O14 119.1(13) . . ?
O12 Cl1 O14 98.6(17) . . ?
O12' Cl1 O11' 106.0(12) . . ?
O13' Cl1 O11' 78.2(13) . . ?
O14' Cl1 O11' 112.6(18) . . ?
O13 Cl1 O11' 111.7(12) . . ?
O11 Cl1 O11' 68.1(15) . . ?
O12 Cl1 O11' 67.0(16) . . ?
O14 Cl1 O11' 165.6(15) . . ?
O23 Cl2 O22' 66.7(13) . . ?
O23 Cl2 O22 114.7(11) . . ?
O22' Cl2 O22 53.5(12) . . ?
O23 Cl2 O21' 137.8(8) . . ?
O22' Cl2 O21' 110.7(10) . . ?
O22 Cl2 O21' 59.5(11) . . ?
O23 Cl2 O23' 51.0(9) . . ?
O22' Cl2 O23' 115.4(15) . . ?
O22 Cl2 O23' 141.3(11) . . ?
O21' Cl2 O23' 104.8(11) . . ?
O23 Cl2 O24 100.6(8) . . ?
O22' Cl2 O24 105.5(10) . . ?
O22 Cl2 O24 117.5(10) . . ?
O21' Cl2 O24 119.4(8) . . ?
O23' Cl2 O24 101.2(10) . . ?
O23 Cl2 O24' 115.6(7) . . ?
O22' Cl2 O24' 111.7(11) . . ?
O22 Cl2 O24' 109.2(8) . . ?
O21' Cl2 O24' 104.5(7) . . ?
O23' Cl2 O24' 109.1(10) . . ?
O24 Cl2 O24' 15.1(7) . . ?
O23 Cl2 O21 102.2(10) . . ?
O22' Cl2 O21 141.7(10) . . ?
O22 Cl2 O21 108.2(13) . . ?
O21' Cl2 O21 52.1(9) . . ?
O23' Cl2 O21 54.6(10) . . ?
O24 Cl2 O21 112.6(9) . . ?
O24' Cl2 O21 106.1(9) . . ?
C301 P1 C311 108.3(2) . . ?
C301 P1 C72 105.0(2) . . ?
C311 P1 C72 102.0(3) . . ?
C301 P1 Ag1 114.2(2) . . ?
C311 P1 Ag1 113.8(2) . . ?
C72 P1 Ag1 112.53(17) . . ?
C401 P2 C411 105.0(2) . . ?
C401 P2 C72 101.9(2) . . ?
C411 P2 C72 104.5(2) . . ?
C401 P2 Ag2 113.56(16) . . ?
C411 P2 Ag2 115.98(18) . . ?
C72 P2 Ag2 114.39(17) . . ?
C211 P3 C201 106.3(2) . . ?
C211 P3 C71 103.7(2) . . ?
C201 P3 C71 104.1(2) . . ?
C211 P3 Ag3 113.33(16) . . ?
C201 P3 Ag3 112.77(18) . . ?
C71 P3 Ag3 115.64(16) . . ?
C111 P4 C101 109.5(2) . . ?
C111 P4 C71 105.2(2) . . ?
C101 P4 C71 100.7(2) . . ?
C111 P4 Ag4 113.65(19) . . ?
C101 P4 Ag4 115.14(17) . . ?
C71 P4 Ag4 111.53(16) . . ?
C511 P5 C501 102.4(2) . . ?
C511 P5 C73 103.7(2) . . ?
C501 P5 C73 105.7(2) . . ?
C511 P5 Ag5 114.13(19) . . ?
C501 P5 Ag5 115.22(16) . . ?
C73 P5 Ag5 114.36(16) . . ?
C611 P6 C601 105.2(2) . . ?
C611 P6 C73 103.4(2) . . ?
C601 P6 C73 104.3(2) . . ?
C611 P6 Ag6 114.39(15) . . ?
C601 P6 Ag6 115.05(17) . . ?
C73 P6 Ag6 113.22(16) . . ?
C39 O2 Ag6 137.8(4) . 2_536 ?
C01 O10 C03 109.6(15) . . ?
Cl1 O11' O13' 49.7(8) . . ?
Cl1 O13 O14 51.9(10) . . ?
Cl1 O13' O11' 52.1(8) . . ?
Cl1 O14 O13 51.1(8) . . ?
C2 C1 Cu1 159.6(5) . . ?
C2 C1 Ag1 114.9(4) . . ?
Cu1 C1 Ag1 74.72(15) . . ?
C2 C1 Ag3 115.9(4) . . ?
Cu1 C1 Ag3 72.37(15) . . ?
Ag1 C1 Ag3 113.7(2) . . ?
O10 C01 C02 109.7(11) . . ?
C1 C2 C3 174.6(6) . . ?
C4 C3 C8 117.8(4) . . ?
C4 C3 C2 121.4(4) . . ?
C8 C3 C2 120.7(5) . . ?
O10 C03 C04 96.6(18) . . ?
C3 C4 C5 121.2(5) . . ?
C4 C5 C6 121.0(5) . . ?
C7 C6 C5 117.6(5) . . ?
C7 C6 C9 119.1(5) . . ?
C5 C6 C9 123.3(5) . . ?
C8 C7 C6 122.0(5) . . ?
C7 C8 C3 120.3(5) . . ?
O6 C9 C10 120.9(5) . . ?
O6 C9 C6 119.7(6) . . ?
C10 C9 C6 119.4(5) . . ?
C12 C11 Cu2 164.6(4) . . ?
C12 C11 Ag3 102.6(3) . . ?
Cu2 C11 Ag3 91.1(2) . . ?
C12 C11 Ag4 106.9(4) . . ?
Cu2 C11 Ag4 69.99(15) . . ?
Ag3 C11 Ag4 73.69(14) . . ?
C12 C11 Ag2 107.4(4) . . ?
Cu2 C11 Ag2 71.67(14) . . ?
Ag3 C11 Ag2 116.95(19) . . ?
Ag4 C11 Ag2 140.36(19) . . ?
C11 C12 C13 175.1(5) . . ?
C14 C13 C18 119.4(6) . . ?
C14 C13 C12 120.5(5) . . ?
C18 C13 C12 120.1(5) . . ?
C13 C14 C15 118.4(6) . . ?
C16 C15 C14 121.8(6) . . ?
C17 C16 C15 118.1(6) . . ?
C17 C16 C19 120.0(8) . . ?
C15 C16 C19 121.9(8) . . ?
C16 C17 C18 122.5(7) . . ?
C17 C18 C13 119.9(6) . . ?
O4 C19 C20 118.4(10) . . ?
O4 C19 C16 121.4(11) . . ?
C20 C19 C16 120.2(10) . . ?
C22 C21 Cu1 168.1(5) . . ?
C22 C21 Ag2 102.4(4) . . ?
Cu1 C21 Ag2 87.60(18) . . ?
C22 C21 Ag1 120.8(4) . . ?
Cu1 C21 Ag1 68.16(14) . . ?
Ag2 C21 Ag1 72.12(14) . . ?
C22 C21 Ag5 103.9(4) . . ?
Cu1 C21 Ag5 69.59(14) . . ?
Ag2 C21 Ag5 88.64(15) . . ?
Ag1 C21 Ag5 133.90(18) . . ?
C21 C22 C23 175.1(6) . . ?
C28 C23 C24 117.7(5) . . ?
C28 C23 C22 120.8(5) . . ?
C24 C23 C22 121.5(5) . . ?
C25 C24 C23 120.0(6) . . ?
C24 C25 C26 121.5(6) . . ?
C25 C26 C27 118.9(6) . . ?
C25 C26 C29 119.3(7) . . ?
C27 C26 C29 121.8(8) . . ?
C28 C27 C26 120.1(7) . . ?
C27 C28 C23 121.6(6) . . ?
O3 C29 C30 125.5(9) . . ?
O3 C29 C26 117.1(10) . . ?
C30 C29 C26 117.4(10) . . ?
C32 C31 Cu2 161.3(4) . . ?
C32 C31 Ag2 104.3(3) . . ?
Cu2 C31 Ag2 78.32(15) . . ?
C32 C31 Ag6 101.5(3) . . ?
Cu2 C31 Ag6 76.51(15) . . ?
Ag2 C31 Ag6 154.0(2) . . ?
C32 C31 Ag5 116.0(4) . . ?
Cu2 C31 Ag5 81.88(16) . . ?
Ag2 C31 Ag5 94.58(15) . . ?
Ag6 C31 Ag5 75.73(15) . . ?
C31 C32 C33 174.3(5) . . ?
C38 C33 C34 118.7(4) . . ?
C38 C33 C32 121.5(5) . . ?
C34 C33 C32 119.8(4) . . ?
C35 C34 C33 119.5(5) . . ?
C34 C35 C36 121.4(5) . . ?
C37 C36 C35 118.4(4) . . ?
C37 C36 C39 122.9(5) . . ?
C35 C36 C39 118.7(5) . . ?
C36 C37 C38 122.0(5) . . ?
C37 C38 C33 119.7(6) . . ?
O2 C39 C40 120.9(5) . . ?
O2 C39 C36 119.0(5) . . ?
C40 C39 C36 120.1(5) . . ?
C42 C41 Cu2 163.2(4) . . ?
C42 C41 Ag4 117.6(4) . . ?
Cu2 C41 Ag4 75.63(16) . . ?
C42 C41 Ag6 87.8(3) . . ?
Cu2 C41 Ag6 79.61(16) . . ?
Ag4 C41 Ag6 154.6(2) . . ?
C41 C42 C43 173.2(6) . . ?
C41 C42 Ag6 63.8(3) . . ?
C43 C42 Ag6 116.7(3) . . ?
C48 C43 C44 118.9(5) . . ?
C48 C43 C42 120.5(5) . . ?
C44 C43 C42 120.6(5) . . ?
C45 C44 C43 119.3(6) . . ?
C46 C45 C44 121.2(7) . . ?
C45 C46 C47 118.4(6) . . ?
C45 C46 C49 120.2(7) . . ?
C47 C46 C49 121.4(7) . . ?
C48 C47 C46 121.3(7) . . ?
C47 C48 C43 120.7(6) . . ?
O5 C49 C50 122.0(7) . . ?
O5 C49 C46 118.6(8) . . ?
C50 C49 C46 119.4(8) . . ?
C52 C51 Cu1 162.4(4) . . ?
C52 C51 Ag5 120.4(4) . . ?
Cu1 C51 Ag5 76.26(15) . . ?
C52 C51 Ag3 97.3(3) . . ?
Cu1 C51 Ag3 71.76(15) . . ?
Ag5 C51 Ag3 132.5(2) . . ?
C51 C52 C53 175.2(5) . . ?
C58 C53 C54 118.2(4) . . ?
C58 C53 C52 121.4(5) . . ?
C54 C53 C52 120.4(4) . . ?
C55 C54 C53 119.5(5) . . ?
C54 C55 C56 122.1(5) . . ?
C55 C56 C57 118.7(5) . . ?
C55 C56 C59 121.7(6) . . ?
C57 C56 C59 119.6(6) . . ?
C58 C57 C56 120.4(5) . . ?
C57 C58 C53 121.0(5) . . ?
O1 C59 C60 121.3(7) . . ?
O1 C59 C56 119.7(8) . . ?
C60 C59 C56 119.1(7) . . ?
P3 C71 P4 114.4(3) . . ?
P2 C72 P1 113.5(3) . . ?
P6 C73 P5 113.8(2) . . ?
C102 C101 C106 118.1(5) . . ?
C102 C101 P4 117.7(4) . . ?
C106 C101 P4 124.3(5) . . ?
C103 C102 C101 120.2(6) . . ?
C104 C103 C102 121.7(8) . . ?
C103 C104 C105 120.0(7) . . ?
C104 C105 C106 119.7(6) . . ?
C105 C106 C101 120.3(6) . . ?
C116 C111 C112 118.1(6) . . ?
C116 C111 P4 118.8(4) . . ?
C112 C111 P4 123.0(5) . . ?
C113 C112 C111 120.8(7) . . ?
C114 C113 C112 119.7(7) . . ?
C113 C114 C115 120.7(7) . . ?
C114 C115 C116 119.8(7) . . ?
C115 C116 C111 120.9(6) . . ?
C202 C201 C206 118.5(5) . . ?
C202 C201 P3 123.5(5) . . ?
C206 C201 P3 118.0(4) . . ?
C201 C202 C203 120.3(7) . . ?
C204 C203 C202 120.8(6) . . ?
C203 C204 C205 119.7(7) . . ?
C204 C205 C206 120.0(7) . . ?
C205 C206 C201 120.7(6) . . ?
C212 C211 C216 117.9(5) . . ?
C212 C211 P3 117.7(4) . . ?
C216 C211 P3 124.3(4) . . ?
C213 C212 C211 120.6(6) . . ?
C214 C213 C212 120.0(6) . . ?
C213 C214 C215 121.1(6) . . ?
C216 C215 C214 119.2(6) . . ?
C215 C216 C211 121.0(6) . . ?
C306 C301 C302 118.7(6) . . ?
C306 C301 P1 118.1(5) . . ?
C302 C301 P1 123.2(5) . . ?
C301 C302 C303 119.0(8) . . ?
C305 C303 C302 123.3(8) . . ?
C306 C304 C305 118.9(10) . . ?
C303 C305 C304 118.5(8) . . ?
C301 C306 C304 121.3(8) . . ?
C316 C311 C312 119.0(6) . . ?
C316 C311 P1 123.3(5) . . ?
C312 C311 P1 117.5(5) . . ?
C311 C312 C313 119.2(8) . . ?
C314 C313 C312 120.1(7) . . ?
C315 C314 C313 120.2(7) . . ?
C314 C315 C316 120.3(9) . . ?
C311 C316 C315 121.1(8) . . ?
C402 C401 C406 118.4(5) . . ?
C402 C401 P2 123.4(4) . . ?
C406 C401 P2 118.3(4) . . ?
C401 C402 C403 120.0(6) . . ?
C404 C403 C402 121.0(6) . . ?
C405 C404 C403 119.4(5) . . ?
C406 C405 C404 121.0(6) . . ?
C405 C406 C401 120.1(6) . . ?
C412 C411 C416 118.3(5) . . ?
C412 C411 P2 123.3(4) . . ?
C416 C411 P2 118.4(4) . . ?
C411 C412 C413 121.7(6) . . ?
C412 C413 C414 118.8(7) . . ?
C415 C414 C413 120.1(6) . . ?
C414 C415 C416 120.6(8) . . ?
C411 C416 C415 120.5(7) . . ?
C506 C501 C502 118.6(5) . . ?
C506 C501 P5 119.3(4) . . ?
C502 C501 P5 122.1(4) . . ?
C503 C502 C501 121.1(6) . . ?
C502 C503 C504 120.8(7) . . ?
C503 C504 C505 120.6(7) . . ?
C504 C505 C506 120.1(6) . . ?
C501 C506 C505 118.8(6) . . ?
C512 C511 C516 119.3(5) . . ?
C512 C511 P5 124.6(4) . . ?
C516 C511 P5 116.0(4) . . ?
C511 C512 C513 120.9(7) . . ?
C514 C513 C512 119.8(8) . . ?
C513 C514 C515 120.0(6) . . ?
C514 C515 C516 120.9(7) . . ?
C515 C516 C511 119.0(7) . . ?
C602 C601 C606 119.1(5) . . ?
C602 C601 P6 117.2(4) . . ?
C606 C601 P6 123.5(4) . . ?
C601 C602 C603 120.5(6) . . ?
C604 C603 C602 120.4(6) . . ?
C603 C604 C605 120.4(5) . . ?
C604 C605 C606 119.6(6) . . ?
C605 C606 C601 119.9(6) . . ?
C616 C611 C612 119.4(5) . . ?
C616 C611 P6 122.2(4) . . ?
C612 C611 P6 118.3(4) . . ?
C613 C612 C611 121.1(5) . . ?
C612 C613 C614 119.9(5) . . ?
C615 C614 C613 119.7(6) . . ?
C614 C615 C616 120.6(6) . . ?
C611 C616 C615 119.3(5) . . ?
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 2.254(5) . ?
Ag1 P1 2.3655(18) . ?
Ag1 C21 2.583(5) . ?
Ag1 Cu1 2.5916(12) . ?
Ag1 Ag2 2.9826(14) . ?
Ag2 C31 2.378(5) . ?
Ag2 P2 2.4266(17) . ?
Ag2 C21 2.482(5) . ?
Ag2 C11 2.667(5) . ?
Ag2 Cu2 2.7751(11) . ?
Ag2 Cu1 3.0877(14) . ?
Ag3 P3 2.4158(14) . ?
Ag3 C11 2.471(5) . ?
Ag3 C1 2.484(5) . ?
Ag3 C51 2.538(5) . ?
Ag3 Cu1 2.6777(14) . ?
Ag3 Ag4 2.9970(12) . ?
Ag3 Cu2 3.1930(13) . ?
Ag4 C41 2.261(5) . ?
Ag4 P4 2.3760(15) . ?
Ag4 C11 2.526(5) . ?
Ag4 Cu2 2.6203(14) . ?
Ag5 C51 2.362(5) . ?
Ag5 P5 2.4183(14) . ?
Ag5 C31 2.506(5) . ?
Ag5 C21 2.653(5) . ?
Ag5 Cu1 2.6875(12) . ?
Ag5 Cu2 2.9724(14) . ?
Ag5 Ag6 3.0425(11) . ?
Ag6 C41 2.316(5) . ?
Ag6 P6 2.3774(14) . ?
Ag6 C31 2.450(5) . ?
Ag6 O2 2.533(4) 2_536 ?
Ag6 C42 2.579(5) . ?
Ag6 Cu2 2.7735(12) . ?
Cu1 C21 1.944(4) . ?
Cu1 C51 1.961(5) . ?
Cu1 C1 2.004(5) . ?
Cu2 C11 1.974(5) . ?
Cu2 C31 1.991(4) . ?
Cu2 C41 2.000(5) . ?
Cl1 O12' 1.336(10) . ?
Cl1 O13' 1.350(9) . ?
Cl1 O14' 1.352(14) . ?
Cl1 O13 1.375(12) . ?
Cl1 O11 1.376(9) . ?
Cl1 O12 1.390(13) . ?
Cl1 O14 1.390(14) . ?
Cl1 O11' 1.396(14) . ?
Cl2 O23 1.348(9) . ?
Cl2 O22' 1.373(11) . ?
Cl2 O22 1.377(11) . ?
Cl2 O21' 1.386(11) . ?
Cl2 O23' 1.407(14) . ?
Cl2 O24 1.429(12) . ?
Cl2 O24' 1.437(9) . ?
Cl2 O21 1.438(11) . ?
P1 C301 1.815(6) . ?
P1 C311 1.825(6) . ?
P1 C72 1.838(5) . ?
P2 C401 1.817(5) . ?
P2 C411 1.819(5) . ?
P2 C72 1.834(5) . ?
P3 C211 1.815(5) . ?
P3 C201 1.824(5) . ?
P3 C71 1.824(5) . ?
P4 C111 1.803(6) . ?
P4 C101 1.822(5) . ?
P4 C71 1.828(5) . ?
P5 C511 1.809(5) . ?
P5 C501 1.822(5) . ?
P5 C73 1.835(4) . ?
P6 C611 1.824(5) . ?
P6 C601 1.829(4) . ?
P6 C73 1.833(4) . ?
O1 C59 1.221(10) . ?
O2 C39 1.218(7) . ?
O2 Ag6 2.533(4) 2_536 ?
O3 C29 1.274(13) . ?
O4 C19 1.186(13) . ?
O5 C49 1.199(11) . ?
O6 C9 1.205(7) . ?
O10 C01 1.416(5) . ?
O10 C03 1.419(5) . ?
O11' O13' 1.73(3) . ?
O13 O14 1.72(3) . ?
C1 C2 1.203(6) . ?
C01 C02 1.517(5) . ?
C2 C3 1.446(6) . ?
C3 C4 1.363(8) . ?
C3 C8 1.398(7) . ?
C03 C04 1.523(5) . ?
C4 C5 1.374(7) . ?
C5 C6 1.385(7) . ?
C6 C7 1.364(8) . ?
C6 C9 1.499(7) . ?
C7 C8 1.363(8) . ?
C9 C10 1.478(10) . ?
C11 C12 1.204(7) . ?
C12 C13 1.449(7) . ?
C13 C14 1.381(8) . ?
C13 C18 1.389(8) . ?
C14 C15 1.418(9) . ?
C15 C16 1.373(11) . ?
C16 C17 1.349(10) . ?
C16 C19 1.493(11) . ?
C17 C18 1.381(9) . ?
C19 C20 1.454(15) . ?
C21 C22 1.217(6) . ?
C22 C23 1.421(7) . ?
C23 C28 1.373(8) . ?
C23 C24 1.414(7) . ?
C24 C25 1.357(8) . ?
C25 C26 1.372(10) . ?
C26 C27 1.383(11) . ?
C26 C29 1.503(10) . ?
C27 C28 1.367(8) . ?
C29 C30 1.474(19) . ?
C31 C32 1.199(6) . ?
C32 C33 1.444(6) . ?
C33 C38 1.386(8) . ?
C33 C34 1.395(7) . ?
C34 C35 1.374(7) . ?
C35 C36 1.380(7) . ?
C36 C37 1.354(8) . ?
C36 C39 1.494(6) . ?
C37 C38 1.375(8) . ?
C39 C40 1.485(8) . ?
C41 C42 1.226(7) . ?
C42 C43 1.433(7) . ?
C43 C48 1.369(9) . ?
C43 C44 1.403(9) . ?
C44 C45 1.378(9) . ?
C45 C46 1.362(10) . ?
C46 C47 1.393(10) . ?
C46 C49 1.499(9) . ?
C47 C48 1.349(9) . ?
C49 C50 1.462(14) . ?
C51 C52 1.215(7) . ?
C52 C53 1.423(6) . ?
C53 C58 1.399(7) . ?
C53 C54 1.404(7) . ?
C54 C55 1.370(7) . ?
C55 C56 1.378(8) . ?
C56 C57 1.383(8) . ?
C56 C59 1.501(8) . ?
C57 C58 1.374(7) . ?
C59 C60 1.468(12) . ?
C101 C102 1.374(9) . ?
C101 C106 1.394(7) . ?
C102 C103 1.352(10) . ?
C103 C104 1.346(11) . ?
C104 C105 1.357(11) . ?
C105 C106 1.374(8) . ?
C111 C116 1.376(8) . ?
C111 C112 1.393(7) . ?
C112 C113 1.380(10) . ?
C113 C114 1.356(12) . ?
C114 C115 1.373(11) . ?
C115 C116 1.374(10) . ?
C201 C202 1.373(7) . ?
C201 C206 1.381(8) . ?
C202 C203 1.384(9) . ?
C203 C204 1.351(12) . ?
C204 C205 1.371(10) . ?
C205 C206 1.378(9) . ?
C211 C212 1.384(7) . ?
C211 C216 1.404(8) . ?
C212 C213 1.384(9) . ?
C213 C214 1.350(10) . ?
C214 C215 1.381(10) . ?
C215 C216 1.367(9) . ?
C301 C306 1.350(10) . ?
C301 C302 1.361(9) . ?
C302 C303 1.387(11) . ?
C303 C305 1.299(14) . ?
C304 C306 1.384(12) . ?
C304 C305 1.387(15) . ?
C311 C316 1.373(10) . ?
C311 C312 1.385(8) . ?
C312 C313 1.413(10) . ?
C313 C314 1.370(13) . ?
C314 C315 1.353(13) . ?
C315 C316 1.383(9) . ?
C401 C402 1.381(8) . ?
C401 C406 1.413(7) . ?
C402 C403 1.384(8) . ?
C403 C404 1.372(9) . ?
C404 C405 1.368(9) . ?
C405 C406 1.368(8) . ?
C411 C412 1.374(8) . ?
C411 C416 1.379(9) . ?
C412 C413 1.383(8) . ?
C413 C414 1.384(12) . ?
C414 C415 1.356(13) . ?
C415 C416 1.382(10) . ?
C501 C506 1.373(7) . ?
C501 C502 1.404(8) . ?
C502 C503 1.348(8) . ?
C503 C504 1.353(11) . ?
C504 C505 1.353(12) . ?
C505 C506 1.424(10) . ?
C511 C512 1.355(8) . ?
C511 C516 1.405(8) . ?
C512 C513 1.397(9) . ?
C513 C514 1.361(13) . ?
C514 C515 1.369(12) . ?
C515 C516 1.384(9) . ?
C601 C602 1.373(7) . ?
C601 C606 1.388(7) . ?
C602 C603 1.380(8) . ?
C603 C604 1.351(10) . ?
C604 C605 1.378(10) . ?
C605 C606 1.388(7) . ?
C611 C616 1.377(7) . ?
C611 C612 1.379(6) . ?
C612 C613 1.366(8) . ?
C613 C614 1.378(10) . ?
C614 C615 1.369(9) . ?
C615 C616 1.395(9) . ?
