#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:27:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179111 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/73/4307396.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_4307396
loop_
_publ_author_name
'Aneta Borecki'
'John F. Corrigan'
_publ_contact_author_address
;Department of Chemistry
The University of Western Ontario
London, ON
N6A 5B7
;
_publ_contact_author_email       jfcorrig@uwo.ca
_publ_contact_author_name        'John F Corrigan'
_publ_section_title
;
New Copper and Silver Trimethylsilylchalcogenolates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2478
_journal_page_last               2484
_journal_paper_doi               10.1021/ic0618910
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C132 H162 Ag3 Cu9 O5 P8 S6'
_chemical_formula_weight         3164.21
_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                90.908(2)
_cell_angle_beta                 96.312(2)
_cell_angle_gamma                114.197(2)
_cell_formula_units_Z            1
_cell_length_a                   13.8231(4)
_cell_length_b                   16.1207(7)
_cell_length_c                   16.8049(6)
_cell_measurement_temperature    200(2)
_cell_volume                     3387.4(2)
_computing_cell_refinement       'Nonius Collect'
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        'Nonius Collect'
_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      200(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0749
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24027
_diffrn_reflns_theta_full        27.69
_diffrn_reflns_theta_max         27.69
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    2.042
_exptl_absorpt_correction_type   Scalepack
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1612
_refine_diff_density_max         1.724
_refine_diff_density_min         -1.925
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     678
_refine_ls_number_reflns         15619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1096
_refine_ls_R_factor_gt           0.0637
_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)+(0.0894P)²+10.9019P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1653
_refine_ls_wR_factor_ref         0.1911
_reflns_number_gt                10048
_reflns_number_total             15619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0618910si20061002_053707_4.cif
_cod_data_source_block           7
_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_database_code               4307396
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
Cu1 Cu 0.15035(19) 0.15898(17) 0.39603(15) 0.0239(7) Uiso 0.50 1 d P . 1
Cu2 Cu -0.07410(16) 0.10841(14) 0.38038(12) 0.0272(6) Uiso 0.75 1 d P . 1
Cu3 Cu -0.1305(3) -0.0913(2) 0.33703(19) 0.0254(10) Uiso 0.50 1 d P . 1
Cu4 Cu 0.09958(13) -0.03933(12) 0.35916(10) 0.0266(5) Uiso 0.75 1 d P . 1
Ag1 Ag 0.15885(13) 0.16109(12) 0.40882(10) 0.0312(5) Uiso 0.50 1 d P . 2
Ag2 Ag -0.0821(3) 0.0950(3) 0.3810(2) 0.0324(13) Uiso 0.25 1 d P . 2
Ag3 Ag -0.12467(18) -0.08099(15) 0.33207(13) 0.0334(7) Uiso 0.50 1 d P . 2
Ag4 Ag 0.1071(3) -0.0314(2) 0.3712(2) 0.0304(10) Uiso 0.25 1 d P . 2
Cu5 Cu 0.16069(6) 0.02920(6) 0.51699(4) 0.03566(19) Uani 1 1 d . . .
Cu6 Cu -0.04352(6) -0.13643(6) 0.46777(5) 0.03613(19) Uani 1 1 d . . .
S1 S 0.02039(15) 0.05095(13) 0.30606(10) 0.0457(4) Uani 1 1 d . . .
S2 S 0.21427(14) 0.17184(13) 0.55158(12) 0.0480(4) Uani 1 1 d . . .
S3 S 0.12183(13) -0.11303(12) 0.48504(10) 0.0384(4) Uani 1 1 d . . .
P1 P 0.25396(15) 0.31277(13) 0.36508(11) 0.0421(4) Uani 1 1 d . . .
P2 P -0.18980(13) 0.16055(13) 0.31108(10) 0.0374(4) Uani 1 1 d . . .
P3 P -0.22940(15) -0.19446(13) 0.22581(10) 0.0415(4) Uani 1 1 d . . .
P4 P 0.22303(13) -0.06783(13) 0.29591(11) 0.0382(4) Uani 1 1 d . . .
C1 C 0.3910(6) 0.3404(5) 0.3466(4) 0.0447(16) Uani 1 1 d . . .
C2 C 0.4132(7) 0.2709(6) 0.3159(5) 0.056(2) Uani 1 1 d . . .
H2A H 0.3572 0.2116 0.3051 0.067 Uiso 1 1 calc R . .
C3 C 0.5155(8) 0.2861(7) 0.3007(6) 0.072(3) Uani 1 1 d . . .
H3A H 0.5289 0.2370 0.2803 0.086 Uiso 1 1 calc R . .
C4 C 0.5978(7) 0.3715(8) 0.3149(6) 0.073(3) Uani 1 1 d . . .
H4A H 0.6679 0.3824 0.3043 0.087 Uiso 1 1 calc R . .
C5 C 0.5756(7) 0.4404(7) 0.3449(5) 0.067(2) Uani 1 1 d . . .
H5A H 0.6318 0.4997 0.3550 0.080 Uiso 1 1 calc R . .
C6 C 0.4748(6) 0.4269(6) 0.3607(5) 0.055(2) Uani 1 1 d . . .
H6A H 0.4623 0.4763 0.3813 0.067 Uiso 1 1 calc R . .
C7 C 0.1982(6) 0.3522(5) 0.2776(4) 0.0437(16) Uani 1 1 d . . .
C8 C 0.2415(7) 0.4407(6) 0.2571(5) 0.063(2) Uani 1 1 d . . .
H8A H 0.3039 0.4840 0.2883 0.076 Uiso 1 1 calc R . .
C9 C 0.1946(8) 0.4682(6) 0.1902(6) 0.077(3) Uani 1 1 d . . .
H9A H 0.2253 0.5299 0.1767 0.093 Uiso 1 1 calc R . .
C10 C 0.1050(7) 0.4069(6) 0.1443(5) 0.058(2) Uani 1 1 d . . .
H10A H 0.0733 0.4254 0.0990 0.070 Uiso 1 1 calc R . .
C11 C 0.0618(6) 0.3183(6) 0.1648(4) 0.0494(18) Uani 1 1 d . . .
H11A H -0.0005 0.2755 0.1331 0.059 Uiso 1 1 calc R . .
C12 C 0.1066(6) 0.2899(5) 0.2303(4) 0.0457(17) Uani 1 1 d . . .
H12A H 0.0752 0.2280 0.2432 0.055 Uiso 1 1 calc R . .
C13 C 0.2680(6) 0.3957(5) 0.4458(5) 0.0536(19) Uani 1 1 d . . .
H13A H 0.3064 0.3848 0.4949 0.064 Uiso 1 1 calc R . .
H13B H 0.3111 0.4579 0.4304 0.064 Uiso 1 1 calc R . .
C14 C 0.1584(7) 0.3891(6) 0.4634(6) 0.065(2) Uani 1 1 d . . .
H14A H 0.1684 0.4342 0.5069 0.097 Uiso 1 1 calc R . .
H14B H 0.1161 0.3278 0.4795 0.097 Uiso 1 1 calc R . .
H14C H 0.1208 0.4011 0.4151 0.097 Uiso 1 1 calc R . .
C15 C -0.1544(5) 0.2817(5) 0.3336(4) 0.0401(15) Uani 1 1 d . . .
C16 C -0.1224(6) 0.3471(5) 0.2787(5) 0.0519(19) Uani 1 1 d . . .
H16A H -0.1229 0.3290 0.2245 0.062 Uiso 1 1 calc R . .
C17 C -0.0900(6) 0.4375(6) 0.3003(5) 0.059(2) Uani 1 1 d . . .
H17A H -0.0691 0.4812 0.2612 0.071 Uiso 1 1 calc R . .
C18 C -0.0875(6) 0.4657(6) 0.3794(5) 0.060(2) Uani 1 1 d . . .
H18A H -0.0641 0.5286 0.3948 0.072 Uiso 1 1 calc R . .
C19 C -0.1191(6) 0.4022(6) 0.4342(5) 0.0529(19) Uani 1 1 d . . .
H19A H -0.1193 0.4211 0.4880 0.064 Uiso 1 1 calc R . .
C20 C -0.1508(6) 0.3110(5) 0.4137(4) 0.0463(17) Uani 1 1 d . . .
H20A H -0.1702 0.2680 0.4535 0.056 Uiso 1 1 calc R . .
C21 C -0.2178(5) 0.1447(5) 0.2014(4) 0.0400(15) Uani 1 1 d . . .
C22 C -0.1734(5) 0.0953(5) 0.1620(4) 0.0442(17) Uani 1 1 d . . .
H22A H -0.1274 0.0736 0.1922 0.053 Uiso 1 1 calc R . .
C23 C -0.1949(6) 0.0769(6) 0.0794(4) 0.054(2) Uani 1 1 d . . .
H23A H -0.1654 0.0416 0.0533 0.064 Uiso 1 1 calc R . .
C24 C -0.2596(7) 0.1105(7) 0.0360(5) 0.067(3) Uani 1 1 d . . .
H24A H -0.2730 0.1002 -0.0208 0.080 Uiso 1 1 calc R . .
C25 C -0.3044(7) 0.1585(7) 0.0742(5) 0.067(3) Uani 1 1 d . . .
H25A H -0.3501 0.1805 0.0439 0.080 Uiso 1 1 calc R . .
C26 C -0.2838(6) 0.1755(6) 0.1567(5) 0.0531(19) Uani 1 1 d . . .
H26A H -0.3158 0.2089 0.1826 0.064 Uiso 1 1 calc R . .
C27 C -0.3239(5) 0.1040(5) 0.3410(4) 0.0445(16) Uani 1 1 d . . .
H27A H -0.3208 0.1185 0.3990 0.053 Uiso 1 1 calc R . .
H27B H -0.3721 0.1274 0.3111 0.053 Uiso 1 1 calc R . .
C28 C -0.3686(6) 0.0014(5) 0.3248(4) 0.0505(18) Uani 1 1 d . . .
H28A H -0.4402 -0.0268 0.3414 0.076 Uiso 1 1 calc R . .
H28B H -0.3216 -0.0221 0.3551 0.076 Uiso 1 1 calc R . .
H28C H -0.3729 -0.0132 0.2673 0.076 Uiso 1 1 calc R . .
C29 C -0.3628(6) -0.2013(5) 0.1922(4) 0.0439(16) Uani 1 1 d . . .
C30 C -0.4491(7) -0.2520(7) 0.2333(6) 0.074(3) Uani 1 1 d . . .
H30A H -0.4394 -0.2864 0.2764 0.088 Uiso 1 1 calc R . .
C31 C -0.5489(8) -0.2519(8) 0.2108(6) 0.082(3) Uani 1 1 d . . .
H31A H -0.6074 -0.2872 0.2381 0.098 Uiso 1 1 calc R . .
C32 C -0.5638(7) -0.2019(7) 0.1502(5) 0.068(3) Uani 1 1 d . . .
H32A H -0.6326 -0.2031 0.1348 0.082 Uiso 1 1 calc R . .
C33 C -0.4789(7) -0.1492(7) 0.1110(5) 0.061(2) Uani 1 1 d . . .
H33A H -0.4888 -0.1127 0.0699 0.073 Uiso 1 1 calc R . .
C34 C -0.3796(6) -0.1494(5) 0.1315(4) 0.0490(18) Uani 1 1 d . . .
H34A H -0.3219 -0.1136 0.1037 0.059 Uiso 1 1 calc R . .
C35 C -0.1703(6) -0.1849(5) 0.1323(4) 0.0437(16) Uani 1 1 d . . .
C36 C -0.2137(6) -0.2521(6) 0.0704(4) 0.0510(18) Uani 1 1 d . . .
H36A H -0.2774 -0.3045 0.0751 0.061 Uiso 1 1 calc R . .
C37 C -0.1642(7) -0.2433(6) 0.0013(5) 0.057(2) Uani 1 1 d . . .
H37A H -0.1933 -0.2900 -0.0408 0.068 Uiso 1 1 calc R . .
C38 C -0.0720(6) -0.1659(6) -0.0057(5) 0.056(2) Uani 1 1 d . . .
H38A H -0.0386 -0.1591 -0.0531 0.067 Uiso 1 1 calc R . .
C39 C -0.0296(6) -0.0998(6) 0.0553(5) 0.059(2) Uani 1 1 d . . .
H39A H 0.0331 -0.0467 0.0501 0.070 Uiso 1 1 calc R . .
C40 C -0.0774(6) -0.1095(6) 0.1249(4) 0.0487(18) Uani 1 1 d . . .
H40A H -0.0460 -0.0638 0.1678 0.058 Uiso 1 1 calc R . .
C41 C -0.2520(6) -0.3096(5) 0.2545(4) 0.0508(18) Uani 1 1 d . . .
H41A H -0.2919 -0.3234 0.3016 0.061 Uiso 1 1 calc R . .
H41B H -0.2963 -0.3543 0.2097 0.061 Uiso 1 1 calc R . .
C42 C -0.1475(7) -0.3193(6) 0.2749(5) 0.061(2) Uani 1 1 d . . .
H42A H -0.1625 -0.3815 0.2898 0.092 Uiso 1 1 calc R . .
H42B H -0.1041 -0.2759 0.3199 0.092 Uiso 1 1 calc R . .
H42C H -0.1083 -0.3067 0.2281 0.092 Uiso 1 1 calc R . .
C43 C 0.1724(5) -0.1821(5) 0.2452(5) 0.0464(17) Uani 1 1 d . . .
C44 C 0.1378(6) -0.1953(6) 0.1630(5) 0.057(2) Uani 1 1 d . . .
H44A H 0.1438 -0.1446 0.1327 0.068 Uiso 1 1 calc R . .
C45 C 0.0948(7) -0.2820(7) 0.1256(6) 0.070(2) Uani 1 1 d . . .
H45A H 0.0714 -0.2907 0.0695 0.084 Uiso 1 1 calc R . .
C46 C 0.0859(8) -0.3547(7) 0.1687(7) 0.081(3) Uani 1 1 d . . .
H46A H 0.0570 -0.4141 0.1427 0.097 Uiso 1 1 calc R . .
C47 C 0.1185(7) -0.3425(6) 0.2493(8) 0.084(3) Uani 1 1 d . . .
H47A H 0.1133 -0.3937 0.2788 0.101 Uiso 1 1 calc R . .
C48 C 0.1596(7) -0.2560(6) 0.2891(6) 0.072(3) Uani 1 1 d . . .
H48A H 0.1783 -0.2486 0.3457 0.086 Uiso 1 1 calc R . .
C49 C 0.2875(5) 0.0044(5) 0.2183(4) 0.0424(16) Uani 1 1 d . . .
C50 C 0.2445(6) 0.0613(5) 0.1851(4) 0.0520(19) Uani 1 1 d . . .
H50A H 0.1820 0.0622 0.2029 0.062 Uiso 1 1 calc R . .
C51 C 0.2925(8) 0.1179(6) 0.1252(5) 0.070(3) Uani 1 1 d . . .
H51A H 0.2623 0.1570 0.1028 0.084 Uiso 1 1 calc R . .
C52 C 0.3805(7) 0.1173(6) 0.0993(5) 0.069(3) Uani 1 1 d . . .
H52A H 0.4123 0.1562 0.0588 0.083 Uiso 1 1 calc R . .
C53 C 0.4258(7) 0.0601(6) 0.1313(5) 0.063(2) Uani 1 1 d . . .
H53A H 0.4880 0.0595 0.1128 0.076 Uiso 1 1 calc R . .
C54 C 0.3782(6) 0.0038(5) 0.1908(4) 0.0503(18) Uani 1 1 d . . .
H54A H 0.4083 -0.0355 0.2129 0.060 Uiso 1 1 calc R . .
C55 C 0.3368(5) -0.0628(5) 0.3666(4) 0.0444(17) Uani 1 1 d . . .
H55A H 0.3100 -0.1067 0.4080 0.053 Uiso 1 1 calc R . .
H55B H 0.3840 -0.0812 0.3374 0.053 Uiso 1 1 calc R . .
C56 C 0.4004(5) 0.0309(5) 0.4069(4) 0.0504(18) Uani 1 1 d . . .
H56A H 0.4601 0.0304 0.4439 0.076 Uiso 1 1 calc R . .
H56B H 0.3543 0.0489 0.4367 0.076 Uiso 1 1 calc R . .
H56C H 0.4284 0.0744 0.3662 0.076 Uiso 1 1 calc R . .
O1S O 0.4090(5) 0.6222(4) 0.3888(3) 0.0667(15) Uiso 1 1 d . . .
C1S C 0.5057(7) 0.6693(6) 0.4383(5) 0.058(2) Uiso 1 1 d . . .
H1SA H 0.5673 0.6802 0.4085 0.070 Uiso 1 1 calc R . .
H1SB H 0.5112 0.6346 0.4854 0.070 Uiso 1 1 calc R . .
C2S C 0.5031(8) 0.7570(7) 0.4638(6) 0.075(3) Uiso 1 1 d . . .
H2SA H 0.5320 0.8032 0.4244 0.091 Uiso 1 1 calc R . .
H2SB H 0.5456 0.7808 0.5170 0.091 Uiso 1 1 calc R . .
C4S C 0.3337(9) 0.6461(8) 0.4197(7) 0.096(3) Uiso 1 1 d . . .
H4SA H 0.2923 0.5982 0.4540 0.115 Uiso 1 1 calc R . .
H4SB H 0.2833 0.6504 0.3750 0.115 Uiso 1 1 calc R . .
C3S C 0.3863(9) 0.7346(8) 0.4676(7) 0.089(3) Uiso 1 1 d . . .
H3SA H 0.3694 0.7285 0.5235 0.107 Uiso 1 1 calc R . .
H3SB H 0.3655 0.7813 0.4432 0.107 Uiso 1 1 calc R . .
O2S O -0.1246(10) -0.5185(10) 0.0369(7) 0.164(4) Uiso 1 1 d . . .
C5S C -0.1890(14) -0.6064(13) 0.0396(10) 0.148(6) Uiso 1 1 d . . .
H5SA H -0.1502 -0.6378 0.0705 0.177 Uiso 1 1 calc R . .
H5SB H -0.2126 -0.6359 -0.0154 0.177 Uiso 1 1 calc R . .
C6S C -0.2920(18) -0.6142(15) 0.0822(13) 0.195(9) Uiso 1 1 d . . .
H6SA H -0.3584 -0.6380 0.0439 0.234 Uiso 1 1 calc R . .
H6SB H -0.3017 -0.6528 0.1286 0.234 Uiso 1 1 calc R . .
C7S C -0.2566(13) -0.5119(11) 0.1092(9) 0.129(5) Uiso 1 1 d . . .
H7SA H -0.3183 -0.4952 0.1058 0.155 Uiso 1 1 calc R . .
H7SB H -0.2183 -0.4968 0.1644 0.155 Uiso 1 1 calc R . .
C8S C -0.1899(14) -0.4705(13) 0.0535(10) 0.148(6) Uiso 1 1 d . . .
H8SA H -0.1428 -0.4070 0.0735 0.178 Uiso 1 1 calc R . .
H8SB H -0.2331 -0.4685 0.0031 0.178 Uiso 1 1 calc R . .
O3S O 0.4904(9) 0.4532(8) -0.0072(7) 0.064(3) Uiso 0.50 1 d P A -1
C9S C 0.5051(10) 0.4211(9) -0.0788(7) 0.037(3) Uiso 0.50 1 d P A -1
H9SA H 0.5555 0.3922 -0.0670 0.045 Uiso 0.50 1 calc PR A -1
H9SB H 0.4358 0.3723 -0.1022 0.045 Uiso 0.50 1 calc PR A -1
C10S C 0.5418(12) 0.4805(10) -0.1365(8) 0.047(3) Uiso 0.50 1 d P A -1
H10B H 0.5474 0.4477 -0.1841 0.071 Uiso 0.50 1 calc PR A -1
H10C H 0.6124 0.5279 -0.1161 0.071 Uiso 0.50 1 calc PR A -1
H10D H 0.4921 0.5087 -0.1508 0.071 Uiso 0.50 1 calc PR A -1
C11S C 0.4525(12) 0.3945(10) 0.0576(8) 0.046(3) Uiso 0.50 1 d P A -1
H11B H 0.3834 0.3446 0.0357 0.055 Uiso 0.50 1 calc PR A -1
H11C H 0.5034 0.3663 0.0708 0.055 Uiso 0.50 1 calc PR A -1
C12S C 0.4378(11) 0.4267(9) 0.1274(7) 0.039(3) Uiso 0.50 1 d P A -1
H12B H 0.4167 0.3779 0.1644 0.058 Uiso 0.50 1 calc PR A -1
H12C H 0.3814 0.4487 0.1177 0.058 Uiso 0.50 1 calc PR A -1
H12D H 0.5045 0.4770 0.1509 0.058 Uiso 0.50 1 calc PR A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
O O 0.0106 0.0060 '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
S1 Cu1 P1 123.82(12) . . ?
S1 Cu1 S2 136.01(12) . . ?
P1 Cu1 S2 99.64(10) . . ?
S1 Cu1 Cu6 101.02(10) . 2_556 ?
P1 Cu1 Cu6 116.73(10) . 2_556 ?
S2 Cu1 Cu6 46.89(6) . 2_556 ?
S1 Cu1 Cu2 52.58(8) . . ?
P1 Cu1 Cu2 114.46(11) . . ?
S2 Cu1 Cu2 106.11(10) . . ?
Cu6 Cu1 Cu2 59.24(6) 2_556 . ?
S1 Cu1 Cu5 95.81(9) . . ?
P1 Cu1 Cu5 138.73(11) . . ?
S2 Cu1 Cu5 44.63(6) . . ?
Cu6 Cu1 Cu5 58.69(5) 2_556 . ?
Cu2 Cu1 Cu5 97.95(8) . . ?
S1 Cu1 Cu4 48.77(7) . . ?
P1 Cu1 Cu4 145.44(11) . . ?
S2 Cu1 Cu4 99.31(9) . . ?
Cu6 Cu1 Cu4 97.26(8) 2_556 . ?
Cu2 Cu1 Cu4 87.37(8) . . ?
Cu5 Cu1 Cu4 54.86(6) . . ?
P2 Cu2 S1 117.91(10) . . ?
P2 Cu2 S3 99.78(9) . 2_556 ?
S1 Cu2 S3 141.28(11) . 2_556 ?
P2 Cu2 Cu5 116.97(9) . 2_556 ?
S1 Cu2 Cu5 102.11(9) . 2_556 ?
S3 Cu2 Cu5 48.71(6) 2_556 2_556 ?
P2 Cu2 Cu6 138.33(10) . 2_556 ?
S1 Cu2 Cu6 100.64(9) . 2_556 ?
S3 Cu2 Cu6 47.80(5) 2_556 2_556 ?
Cu5 Cu2 Cu6 65.20(5) 2_556 2_556 ?
P2 Cu2 Cu1 135.13(11) . . ?
S1 Cu2 Cu1 51.64(8) . . ?
S3 Cu2 Cu1 107.20(9) 2_556 . ?
Cu5 Cu2 Cu1 107.77(8) 2_556 . ?
Cu6 Cu2 Cu1 59.69(7) 2_556 . ?
P2 Cu2 Cu3 112.84(10) . . ?
S1 Cu2 Cu3 53.44(9) . . ?
S3 Cu2 Cu3 105.38(10) 2_556 . ?
Cu5 Cu2 Cu3 56.67(7) 2_556 . ?
Cu6 Cu2 Cu3 102.28(9) 2_556 . ?
Cu1 Cu2 Cu3 93.90(10) . . ?
P3 Cu3 S2 102.28(13) . 2_556 ?
P3 Cu3 S1 115.89(14) . . ?
S2 Cu3 S1 141.75(15) 2_556 . ?
P3 Cu3 Cu6 124.13(14) . . ?
S2 Cu3 Cu6 50.60(8) 2_556 . ?
S1 Cu3 Cu6 101.64(12) . . ?
P3 Cu3 Cu5 140.00(14) . 2_556 ?
S2 Cu3 Cu5 48.46(8) 2_556 2_556 ?
S1 Cu3 Cu5 98.18(11) . 2_556 ?
Cu6 Cu3 Cu5 63.13(7) . 2_556 ?
P3 Cu3 Cu4 116.24(13) . . ?
S2 Cu3 Cu4 111.69(13) 2_556 . ?
S1 Cu3 Cu4 49.31(8) . . ?
Cu6 Cu3 Cu4 61.09(8) . . ?
Cu5 Cu3 Cu4 101.54(10) 2_556 . ?
P3 Cu3 Cu2 134.71(14) . . ?
S2 Cu3 Cu2 105.19(12) 2_556 . ?
S1 Cu3 Cu2 48.61(8) . . ?
Cu6 Cu3 Cu2 101.10(11) . . ?
Cu5 Cu3 Cu2 56.93(7) 2_556 . ?
Cu4 Cu3 Cu2 85.69(10) . . ?
S1 Cu4 P4 121.57(10) . . ?
S1 Cu4 S3 141.21(10) . . ?
P4 Cu4 S3 96.56(8) . . ?
S1 Cu4 Cu5 102.20(8) . . ?
P4 Cu4 Cu5 116.81(8) . . ?
S3 Cu4 Cu5 48.54(5) . . ?
S1 Cu4 Cu6 101.57(8) . . ?
P4 Cu4 Cu6 133.21(9) . . ?
S3 Cu4 Cu6 46.90(5) . . ?
Cu5 Cu4 Cu6 64.90(4) . . ?
S1 Cu4 Cu3 55.77(9) . . ?
P4 Cu4 Cu3 138.02(10) . . ?
S3 Cu4 Cu3 101.43(9) . . ?
Cu5 Cu4 Cu3 103.39(8) . . ?
Cu6 Cu4 Cu3 54.71(7) . . ?
S1 Cu4 Cu1 49.12(7) . . ?
P4 Cu4 Cu1 115.74(9) . . ?
S3 Cu4 Cu1 110.32(9) . . ?
Cu5 Cu4 Cu1 61.79(6) . . ?
Cu6 Cu4 Cu1 105.62(7) . . ?
Cu3 Cu4 Cu1 92.98(9) . . ?
S2 Ag1 P1 105.53(9) . . ?
S2 Ag1 S1 138.44(9) . . ?
P1 Ag1 S1 115.24(9) . . ?
S2 Ag1 Cu6 50.02(5) . 2_556 ?
P1 Ag1 Cu6 120.33(8) . 2_556 ?
S1 Ag1 Cu6 99.60(7) . 2_556 ?
S2 Ag1 Cu5 47.74(6) . . ?
P1 Ag1 Cu5 146.86(8) . . ?
S1 Ag1 Cu5 95.56(7) . . ?
Cu6 Ag1 Cu5 61.86(4) 2_556 . ?
S2 Ag1 Ag4 99.90(10) . . ?
P1 Ag1 Ag4 142.81(10) . . ?
S1 Ag1 Ag4 50.34(8) . . ?
Cu6 Ag1 Ag4 96.79(9) 2_556 . ?
Cu5 Ag1 Ag4 52.32(7) . . ?
S2 Ag1 Ag2 108.53(10) . . ?
P1 Ag1 Ag2 113.44(10) . . ?
S1 Ag1 Ag2 48.03(9) . . ?
Cu6 Ag1 Ag2 58.70(8) 2_556 . ?
Cu5 Ag1 Ag2 95.90(9) . . ?
Ag4 Ag1 Ag2 82.66(11) . . ?
S1 Ag2 P2 116.54(17) . . ?
S1 Ag2 S3 144.87(19) . 2_556 ?
P2 Ag2 S3 98.41(16) . 2_556 ?
S1 Ag2 Cu5 108.05(16) . 2_556 ?
P2 Ag2 Cu5 120.78(17) . 2_556 ?
S3 Ag2 Cu5 50.92(9) 2_556 2_556 ?
S1 Ag2 Ag3 54.36(11) . . ?
P2 Ag2 Ag3 116.22(16) . . ?
S3 Ag2 Ag3 114.21(16) 2_556 . ?
Cu5 Ag2 Ag3 63.30(10) 2_556 . ?
S1 Ag2 Cu6 100.76(15) . 2_556 ?
P2 Ag2 Cu6 133.33(17) . 2_556 ?
S3 Ag2 Cu6 47.58(8) 2_556 2_556 ?
Cu5 Ag2 Cu6 66.91(9) 2_556 2_556 ?
Ag3 Ag2 Cu6 107.92(14) . 2_556 ?
S1 Ag2 Ag1 53.55(10) . . ?
P2 Ag2 Ag1 130.26(16) . . ?
S3 Ag2 Ag1 101.50(14) 2_556 . ?
Cu5 Ag2 Ag1 107.04(14) 2_556 . ?
Ag3 Ag2 Ag1 96.01(13) . . ?
Cu6 Ag2 Ag1 54.61(8) 2_556 . ?
S1 Ag3 P3 120.77(11) . . ?
S1 Ag3 S2 141.87(11) . 2_556 ?
P3 Ag3 S2 96.79(9) . 2_556 ?
S1 Ag3 Ag2 53.09(11) . . ?
P3 Ag3 Ag2 139.73(13) . . ?
S2 Ag3 Ag2 102.81(12) 2_556 . ?
S1 Ag3 Cu6 102.78(9) . . ?
P3 Ag3 Cu6 118.16(10) . . ?
S2 Ag3 Cu6 47.99(6) 2_556 . ?
Ag2 Ag3 Cu6 100.92(11) . . ?
S1 Ag3 Cu5 100.92(9) . 2_556 ?
P3 Ag3 Cu5 135.24(10) . 2_556 ?
S2 Ag3 Cu5 46.83(6) 2_556 2_556 ?
Ag2 Ag3 Cu5 56.23(9) . 2_556 ?
Cu6 Ag3 Cu5 61.23(5) . 2_556 ?
S1 Ag3 Ag4 50.70(9) . . ?
P3 Ag3 Ag4 120.60(11) . . ?
S2 Ag3 Ag4 106.25(10) 2_556 . ?
Ag2 Ag3 Ag4 87.14(12) . . ?
Cu6 Ag3 Ag4 58.31(8) . . ?
Cu5 Ag3 Ag4 97.52(9) 2_556 . ?
S1 Ag4 S3 146.49(17) . . ?
S1 Ag4 P4 115.85(15) . . ?
S3 Ag4 P4 97.33(14) . . ?
S1 Ag4 Cu5 107.88(14) . . ?
S3 Ag4 Cu5 52.37(8) . . ?
P4 Ag4 Cu5 122.26(14) . . ?
S1 Ag4 Cu6 101.77(13) . . ?
S3 Ag4 Cu6 48.23(8) . . ?
P4 Ag4 Cu6 131.08(15) . . ?
Cu5 Ag4 Cu6 68.47(9) . . ?
S1 Ag4 Ag1 55.07(9) . . ?
S3 Ag4 Ag1 114.18(13) . . ?
P4 Ag4 Ag1 118.05(14) . . ?
Cu5 Ag4 Ag1 61.81(8) . . ?
Cu6 Ag4 Ag1 108.73(12) . . ?
S1 Ag4 Ag3 50.73(9) . . ?
S3 Ag4 Ag3 105.00(13) . . ?
P4 Ag4 Ag3 128.80(14) . . ?
Cu5 Ag4 Ag3 107.70(12) . . ?
Cu6 Ag4 Ag3 57.15(8) . . ?
Ag1 Ag4 Ag3 93.75(11) . . ?
S2 Cu5 S3 174.70(7) . . ?
S2 Cu5 Ag4 121.78(10) . . ?
S3 Cu5 Ag4 60.02(9) . . ?
S2 Cu5 Ag2 120.86(11) . 2_556 ?
S3 Cu5 Ag2 59.67(10) . 2_556 ?
Ag4 Cu5 Ag2 113.85(12) . 2_556 ?
S2 Cu5 Cu4 122.56(7) . . ?
S3 Cu5 Cu4 59.31(6) . . ?
Ag4 Cu5 Cu4 0.99(11) . . ?
Ag2 Cu5 Cu4 112.90(10) 2_556 . ?
S2 Cu5 Cu3 57.19(8) . 2_556 ?
S3 Cu5 Cu3 123.68(8) . 2_556 ?
Ag4 Cu5 Cu3 155.08(10) . 2_556 ?
Ag2 Cu5 Cu3 64.02(11) 2_556 2_556 ?
Cu4 Cu5 Cu3 154.61(8) . 2_556 ?
S2 Cu5 Cu2 123.32(7) . 2_556 ?
S3 Cu5 Cu2 57.28(6) . 2_556 ?
Ag4 Cu5 Cu2 111.34(9) . 2_556 ?
Ag2 Cu5 Cu2 2.53(12) 2_556 2_556 ?
Cu4 Cu5 Cu2 110.40(6) . 2_556 ?
Cu3 Cu5 Cu2 66.41(8) 2_556 2_556 ?
S2 Cu5 Ag3 60.73(7) . 2_556 ?
S3 Cu5 Ag3 120.14(7) . 2_556 ?
Ag4 Cu5 Ag3 154.76(9) . 2_556 ?
Ag2 Cu5 Ag3 60.48(10) 2_556 2_556 ?
Cu4 Cu5 Ag3 154.17(6) . 2_556 ?
Cu3 Cu5 Ag3 3.54(10) 2_556 2_556 ?
Cu2 Cu5 Ag3 62.86(6) 2_556 2_556 ?
S2 Cu5 Ag1 56.17(7) . . ?
S3 Cu5 Ag1 125.88(6) . . ?
Ag4 Cu5 Ag1 65.86(9) . . ?
Ag2 Cu5 Ag1 155.74(10) 2_556 . ?
Cu4 Cu5 Ag1 66.58(5) . . ?
Cu3 Cu5 Ag1 105.39(8) 2_556 . ?
Cu2 Cu5 Ag1 155.70(6) 2_556 . ?
Ag3 Cu5 Ag1 108.57(6) 2_556 . ?
S2 Cu5 Cu6 49.33(5) . 2_556 ?
S3 Cu5 Cu6 135.93(6) . 2_556 ?
Ag4 Cu5 Cu6 102.71(8) . 2_556 ?
Ag2 Cu5 Cu6 101.84(10) 2_556 2_556 ?
Cu4 Cu5 Cu6 102.74(5) . 2_556 ?
Cu3 Cu5 Cu6 56.24(7) 2_556 2_556 ?
Cu2 Cu5 Cu6 103.02(5) 2_556 2_556 ?
Ag3 Cu5 Cu6 58.29(5) 2_556 2_556 ?
Ag1 Cu5 Cu6 56.72(4) . 2_556 ?
S2 Cu5 Cu1 59.50(7) . . ?
S3 Cu5 Cu1 122.66(7) . . ?
Ag4 Cu5 Cu1 62.65(9) . . ?
Ag2 Cu5 Cu1 154.66(11) 2_556 . ?
Cu4 Cu5 Cu1 63.35(6) . . ?
Cu3 Cu5 Cu1 107.81(9) 2_556 . ?
Cu2 Cu5 Cu1 154.29(7) 2_556 . ?
Ag3 Cu5 Cu1 110.92(7) 2_556 . ?
Ag1 Cu5 Cu1 3.42(7) . . ?
Cu6 Cu5 Cu1 57.72(5) 2_556 . ?
S2 Cu5 Cu6 139.75(6) . . ?
S3 Cu5 Cu6 45.51(5) . . ?
Ag4 Cu5 Cu6 59.74(8) . . ?
Ag2 Cu5 Cu6 59.71(9) 2_556 . ?
Cu4 Cu5 Cu6 58.76(4) . . ?
Cu3 Cu5 Cu6 103.77(7) 2_556 . ?
Cu2 Cu5 Cu6 57.64(5) 2_556 . ?
Ag3 Cu5 Cu6 101.18(5) 2_556 . ?
Ag1 Cu5 Cu6 105.62(4) . . ?
Cu6 Cu5 Cu6 90.42(3) 2_556 . ?
Cu1 Cu5 Cu6 102.54(5) . . ?
S3 Cu6 S2 175.34(8) . 2_556 ?
S3 Cu6 Cu3 122.06(9) . . ?
S2 Cu6 Cu3 59.33(9) 2_556 . ?
S3 Cu6 Ag1 121.98(6) . 2_556 ?
S2 Cu6 Ag1 58.49(6) 2_556 2_556 ?
Cu3 Cu6 Ag1 113.16(8) . 2_556 ?
S3 Cu6 Ag3 119.81(7) . . ?
S2 Cu6 Ag3 61.74(7) 2_556 . ?
Cu3 Cu6 Ag3 3.00(10) . . ?
Ag1 Cu6 Ag3 114.60(6) 2_556 . ?
S3 Cu6 Ag4 55.78(8) . . ?
S2 Cu6 Ag4 126.21(9) 2_556 . ?
Cu3 Cu6 Ag4 67.06(10) . . ?
Ag1 Cu6 Ag4 153.93(9) 2_556 . ?
Ag3 Cu6 Ag4 64.54(8) . . ?
S3 Cu6 Cu2 57.23(6) . 2_556 ?
S2 Cu6 Cu2 123.61(7) 2_556 2_556 ?
Cu3 Cu6 Cu2 156.56(9) . 2_556 ?
Ag1 Cu6 Cu2 65.15(6) 2_556 2_556 ?
Ag3 Cu6 Cu2 154.16(7) . 2_556 ?
Ag4 Cu6 Cu2 103.78(8) . 2_556 ?
S3 Cu6 Cu1 117.93(7) . 2_556 ?
S2 Cu6 Cu1 62.56(7) 2_556 2_556 ?
Cu3 Cu6 Cu1 116.82(9) . 2_556 ?
Ag1 Cu6 Cu1 4.08(7) 2_556 2_556 ?
Ag3 Cu6 Cu1 118.16(7) . 2_556 ?
Ag4 Cu6 Cu1 152.24(9) . 2_556 ?
Cu2 Cu6 Cu1 61.07(7) 2_556 2_556 ?
S3 Cu6 Ag2 56.30(10) . 2_556 ?
S2 Cu6 Ag2 124.91(10) 2_556 2_556 ?
Cu3 Cu6 Ag2 152.75(11) . 2_556 ?
Ag1 Cu6 Ag2 66.69(9) 2_556 2_556 ?
Ag3 Cu6 Ag2 150.27(10) . 2_556 ?
Ag4 Cu6 Ag2 100.83(11) . 2_556 ?
Cu2 Cu6 Ag2 4.03(10) 2_556 2_556 ?
Cu1 Cu6 Ag2 62.62(10) 2_556 2_556 ?
S3 Cu6 Cu4 58.13(6) . . ?
S2 Cu6 Cu4 123.52(7) 2_556 . ?
Cu3 Cu6 Cu4 64.19(8) . . ?
Ag1 Cu6 Cu4 157.57(6) 2_556 . ?
Ag3 Cu6 Cu4 61.79(6) . . ?
Ag4 Cu6 Cu4 4.54(9) . . ?
Cu2 Cu6 Cu4 107.80(6) 2_556 . ?
Cu1 Cu6 Cu4 156.26(7) 2_556 . ?
Ag2 Cu6 Cu4 104.96(9) 2_556 . ?
S3 Cu6 Cu5 135.89(6) . 2_556 ?
S2 Cu6 Cu5 48.75(6) 2_556 2_556 ?
Cu3 Cu6 Cu5 60.63(7) . 2_556 ?
Ag1 Cu6 Cu5 61.42(4) 2_556 2_556 ?
Ag3 Cu6 Cu5 60.47(5) . 2_556 ?
Ag4 Cu6 Cu5 101.09(8) . 2_556 ?
Cu2 Cu6 Cu5 102.49(5) 2_556 2_556 ?
Cu1 Cu6 Cu5 63.59(6) 2_556 2_556 ?
Ag2 Cu6 Cu5 100.54(9) 2_556 2_556 ?
Cu4 Cu6 Cu5 101.94(5) . 2_556 ?
S3 Cu6 Cu5 46.31(5) . . ?
S2 Cu6 Cu5 138.33(6) 2_556 . ?
Cu3 Cu6 Cu5 103.99(7) . . ?
Ag1 Cu6 Cu5 105.97(5) 2_556 . ?
Ag3 Cu6 Cu5 101.00(5) . . ?
Ag4 Cu6 Cu5 51.79(7) . . ?
Cu2 Cu6 Cu5 57.16(5) 2_556 . ?
Cu1 Cu6 Cu5 102.87(6) 2_556 . ?
Ag2 Cu6 Cu5 53.38(8) 2_556 . ?
Cu4 Cu6 Cu5 56.33(4) . . ?
Cu5 Cu6 Cu5 89.58(3) 2_556 . ?
Cu4 S1 Ag2 119.83(13) . . ?
Cu4 S1 Cu1 82.12(10) . . ?
Ag2 S1 Cu1 78.90(13) . . ?
Cu4 S1 Cu2 122.44(10) . . ?
Ag2 S1 Cu2 4.86(13) . . ?
Cu1 S1 Cu2 75.77(10) . . ?
Cu4 S1 Ag4 5.53(10) . . ?
Ag2 S1 Ag4 116.11(15) . . ?
Cu1 S1 Ag4 77.05(12) . . ?
Cu2 S1 Ag4 118.39(12) . . ?
Cu4 S1 Ag3 76.68(9) . . ?
Ag2 S1 Ag3 72.54(12) . . ?
Cu1 S1 Ag3 128.67(11) . . ?
Cu2 S1 Ag3 77.37(9) . . ?
Ag4 S1 Ag3 78.57(12) . . ?
Cu4 S1 Ag1 79.73(8) . . ?
Ag2 S1 Ag1 78.43(12) . . ?
Cu1 S1 Ag1 3.19(9) . . ?
Cu2 S1 Ag1 75.52(8) . . ?
Ag4 S1 Ag1 74.59(11) . . ?
Ag3 S1 Ag1 125.75(10) . . ?
Cu4 S1 Cu3 74.92(10) . . ?
Ag2 S1 Cu3 73.11(13) . . ?
Cu1 S1 Cu3 127.40(12) . . ?
Cu2 S1 Cu3 77.95(10) . . ?
Ag4 S1 Cu3 76.76(12) . . ?
Ag3 S1 Cu3 1.88(12) . . ?
Ag1 S1 Cu3 124.44(11) . . ?
Cu5 S2 Cu6 81.92(7) . 2_556 ?
Cu5 S2 Ag1 76.08(7) . . ?
Cu6 S2 Ag1 71.49(7) 2_556 . ?
Cu5 S2 Cu3 74.35(10) . 2_556 ?
Cu6 S2 Cu3 70.07(9) 2_556 2_556 ?
Ag1 S2 Cu3 133.97(11) . 2_556 ?
Cu5 S2 Ag3 72.44(8) . 2_556 ?
Cu6 S2 Ag3 70.27(7) 2_556 2_556 ?
Ag1 S2 Ag3 132.99(10) . 2_556 ?
Cu3 S2 Ag3 1.93(12) 2_556 2_556 ?
Cu5 S2 Cu1 75.88(8) . . ?
Cu6 S2 Cu1 70.55(8) 2_556 . ?
Ag1 S2 Cu1 0.95(9) . . ?
Cu3 S2 Cu1 133.11(12) 2_556 . ?
Ag3 S2 Cu1 132.15(10) 2_556 . ?
Cu6 S3 Cu5 88.17(7) . . ?
Cu6 S3 Ag4 75.99(10) . . ?
Cu5 S3 Ag4 67.61(10) . . ?
Cu6 S3 Ag2 76.12(11) . 2_556 ?
Cu5 S3 Ag2 69.41(11) . 2_556 ?
Ag4 S3 Ag2 128.78(15) . 2_556 ?
Cu6 S3 Cu2 74.97(7) . 2_556 ?
Cu5 S3 Cu2 74.01(7) . 2_556 ?
Ag4 S3 Cu2 131.95(12) . 2_556 ?
Ag2 S3 Cu2 4.69(12) 2_556 2_556 ?
Cu6 S3 Cu4 74.97(7) . . ?
Cu5 S3 Cu4 72.15(7) . . ?
Ag4 S3 Cu4 4.60(10) . . ?
Ag2 S3 Cu4 131.98(13) 2_556 . ?
Cu2 S3 Cu4 134.86(9) 2_556 . ?
C1 P1 C13 104.1(3) . . ?
C1 P1 C7 103.6(3) . . ?
C13 P1 C7 103.1(4) . . ?
C1 P1 Cu1 116.7(3) . . ?
C13 P1 Cu1 112.3(3) . . ?
C7 P1 Cu1 115.6(3) . . ?
C1 P1 Ag1 115.2(2) . . ?
C13 P1 Ag1 108.4(3) . . ?
C7 P1 Ag1 120.7(2) . . ?
Cu1 P1 Ag1 5.39(8) . . ?
C15 P2 C27 103.6(3) . . ?
C15 P2 C21 104.7(3) . . ?
C27 P2 C21 101.9(3) . . ?
C15 P2 Cu2 113.6(2) . . ?
C27 P2 Cu2 110.5(3) . . ?
C21 P2 Cu2 120.7(2) . . ?
C15 P2 Ag2 117.7(2) . . ?
C27 P2 Ag2 106.9(3) . . ?
C21 P2 Ag2 119.7(3) . . ?
Cu2 P2 Ag2 4.59(13) . . ?
C29 P3 C35 103.0(3) . . ?
C29 P3 C41 104.6(3) . . ?
C35 P3 C41 103.8(3) . . ?
C29 P3 Cu3 116.9(2) . . ?
C35 P3 Cu3 119.0(3) . . ?
C41 P3 Cu3 107.8(3) . . ?
C29 P3 Ag3 116.5(2) . . ?
C35 P3 Ag3 115.8(3) . . ?
C41 P3 Ag3 111.7(2) . . ?
Cu3 P3 Ag3 4.19(11) . . ?
C49 P4 C55 102.9(3) . . ?
C49 P4 C43 101.9(3) . . ?
C55 P4 C43 103.3(3) . . ?
C49 P4 Cu4 119.9(3) . . ?
C55 P4 Cu4 112.2(2) . . ?
C43 P4 Cu4 114.6(2) . . ?
C49 P4 Ag4 120.6(3) . . ?
C55 P4 Ag4 107.5(3) . . ?
C43 P4 Ag4 118.4(2) . . ?
Cu4 P4 Ag4 5.10(10) . . ?
C2 C1 C6 117.7(7) . . ?
C2 C1 P1 117.7(6) . . ?
C6 C1 P1 124.6(6) . . ?
C1 C2 C3 121.3(8) . . ?
C4 C3 C2 120.6(9) . . ?
C5 C4 C3 118.1(8) . . ?
C4 C5 C6 122.3(9) . . ?
C5 C6 C1 120.0(8) . . ?
C8 C7 C12 118.5(7) . . ?
C8 C7 P1 122.7(6) . . ?
C12 C7 P1 118.8(6) . . ?
C7 C8 C9 120.7(8) . . ?
C10 C9 C8 120.5(8) . . ?
C9 C10 C11 118.9(8) . . ?
C10 C11 C12 121.6(8) . . ?
C11 C12 C7 119.9(7) . . ?
C14 C13 P1 111.3(6) . . ?
C16 C15 C20 117.8(7) . . ?
C16 C15 P2 124.1(5) . . ?
C20 C15 P2 117.8(6) . . ?
C17 C16 C15 121.5(7) . . ?
C16 C17 C18 120.3(8) . . ?
C19 C18 C17 119.0(8) . . ?
C18 C19 C20 121.5(7) . . ?
C19 C20 C15 119.9(7) . . ?
C26 C21 C22 118.3(7) . . ?
C26 C21 P2 123.6(6) . . ?
C22 C21 P2 118.0(5) . . ?
C21 C22 C23 121.4(7) . . ?
C24 C23 C22 118.9(8) . . ?
C25 C24 C23 120.2(8) . . ?
C24 C25 C26 120.6(8) . . ?
C21 C26 C25 120.6(8) . . ?
C28 C27 P2 111.5(5) . . ?
C34 C29 C30 118.1(7) . . ?
C34 C29 P3 121.3(6) . . ?
C30 C29 P3 120.2(6) . . ?
C31 C30 C29 119.8(9) . . ?
C32 C31 C30 120.8(9) . . ?
C31 C32 C33 120.0(8) . . ?
C32 C33 C34 120.1(8) . . ?
C33 C34 C29 121.0(7) . . ?
C40 C35 C36 119.3(7) . . ?
C40 C35 P3 118.6(5) . . ?
C36 C35 P3 122.1(6) . . ?
C35 C36 C37 120.1(7) . . ?
C38 C37 C36 119.7(7) . . ?
C39 C38 C37 120.0(7) . . ?
C38 C39 C40 120.4(8) . . ?
C35 C40 C39 120.5(7) . . ?
C42 C41 P3 111.7(6) . . ?
C48 C43 C44 119.5(8) . . ?
C48 C43 P4 120.1(7) . . ?
C44 C43 P4 120.2(6) . . ?
C45 C44 C43 120.2(8) . . ?
C46 C45 C44 120.1(9) . . ?
C45 C46 C47 120.1(9) . . ?
C46 C47 C48 121.0(9) . . ?
C43 C48 C47 118.9(9) . . ?
C50 C49 C54 118.7(7) . . ?
C50 C49 P4 119.0(6) . . ?
C54 C49 P4 122.3(6) . . ?
C49 C50 C51 120.3(8) . . ?
C52 C51 C50 120.7(9) . . ?
C51 C52 C53 120.5(8) . . ?
C54 C53 C52 118.9(8) . . ?
C49 C54 C53 120.9(8) . . ?
C56 C55 P4 112.3(5) . . ?
C4S O1S C1S 106.3(7) . . ?
O1S C1S C2S 104.8(7) . . ?
C1S C2S C3S 105.0(8) . . ?
O1S C4S C3S 110.9(9) . . ?
C4S C3S C2S 101.5(9) . . ?
C5S O2S C8S 104.5(15) . . ?
O2S C5S C6S 108.8(16) . . ?
C7S C6S C5S 99.6(15) . . ?
C8S C7S C6S 100.6(15) . . ?
C7S C8S O2S 111.6(16) . . ?
C9S O3S C11S 122.3(11) . . ?
C10S C9S O3S 118.9(13) . . ?
C12S C11S O3S 121.7(13) . . ?
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
Cu1 S1 2.302(3) . ?
Cu1 P1 2.400(3) . ?
Cu1 S2 2.642(3) . ?
Cu1 Cu6 2.807(3) 2_556 ?
Cu1 Cu2 2.846(3) . ?
Cu1 Cu5 2.974(3) . ?
Cu1 Cu4 3.016(3) . ?
Cu2 P2 2.312(3) . ?
Cu2 S1 2.332(3) . ?
Cu2 S3 2.433(3) 2_556 ?
Cu2 Cu5 2.780(2) 2_556 ?
Cu2 Cu6 2.794(2) 2_556 ?
Cu2 Cu3 3.040(4) . ?
Cu3 P3 2.368(4) . ?
Cu3 S2 2.419(4) 2_556 ?
Cu3 S1 2.497(4) . ?
Cu3 Cu6 2.644(3) . ?
Cu3 Cu5 2.772(3) 2_556 ?
Cu3 Cu4 2.916(4) . ?
Cu4 S1 2.290(3) . ?
Cu4 P4 2.298(2) . ?
Cu4 S3 2.494(2) . ?
Cu4 Cu5 2.7601(19) . ?
Cu4 Cu6 2.8356(19) . ?
Ag1 S2 2.418(3) . ?
Ag1 P1 2.425(3) . ?
Ag1 S1 2.488(2) . ?
Ag1 Cu6 2.6897(18) 2_556 ?
Ag1 Cu5 2.8253(19) . ?
Ag1 Ag4 2.925(4) . ?
Ag1 Ag2 3.030(4) . ?
Ag2 S1 2.299(4) . ?
Ag2 P2 2.378(4) . ?
Ag2 S3 2.416(4) 2_556 ?
Ag2 Cu5 2.620(4) 2_556 ?
Ag2 Ag3 2.743(5) . ?
Ag2 Cu6 2.819(4) 2_556 ?
Ag3 S1 2.337(3) . ?
Ag3 P3 2.406(3) . ?
Ag3 S2 2.576(3) 2_556 ?
Ag3 Cu6 2.753(2) . ?
Ag3 Cu5 2.816(2) 2_556 ?
Ag3 Ag4 2.959(4) . ?
Ag4 S1 2.336(4) . ?
Ag4 S3 2.377(4) . ?
Ag4 P4 2.389(4) . ?
Ag4 Cu5 2.537(3) . ?
Ag4 Cu6 2.789(3) . ?
Cu5 S2 2.154(2) . ?
Cu5 S3 2.173(2) . ?
Cu5 Ag2 2.620(4) 2_556 ?
Cu5 Cu3 2.772(3) 2_556 ?
Cu5 Cu2 2.780(2) 2_556 ?
Cu5 Ag3 2.816(2) 2_556 ?
Cu5 Cu6 2.8371(11) 2_556 ?
Cu5 Cu6 3.0033(11) . ?
Cu6 S3 2.1436(18) . ?
Cu6 S2 2.1734(19) 2_556 ?
Cu6 Ag1 2.6897(18) 2_556 ?
Cu6 Cu2 2.794(2) 2_556 ?
Cu6 Cu1 2.807(3) 2_556 ?
Cu6 Ag2 2.819(4) 2_556 ?
Cu6 Cu5 2.8371(11) 2_556 ?
S2 Cu6 2.1734(19) 2_556 ?
S2 Cu3 2.419(4) 2_556 ?
S2 Ag3 2.576(3) 2_556 ?
S3 Ag2 2.416(4) 2_556 ?
S3 Cu2 2.433(3) 2_556 ?
P1 C1 1.823(7) . ?
P1 C13 1.827(8) . ?
P1 C7 1.828(7) . ?
P2 C15 1.831(7) . ?
P2 C27 1.831(7) . ?
P2 C21 1.832(7) . ?
P3 C29 1.826(7) . ?
P3 C35 1.830(7) . ?
P3 C41 1.833(8) . ?
P4 C49 1.818(7) . ?
P4 C55 1.836(7) . ?
P4 C43 1.836(8) . ?
C1 C2 1.384(10) . ?
C1 C6 1.395(11) . ?
C2 C3 1.387(11) . ?
C3 C4 1.376(14) . ?
C4 C5 1.370(13) . ?
C5 C6 1.377(11) . ?
C7 C8 1.369(11) . ?
C7 C12 1.398(10) . ?
C8 C9 1.404(12) . ?
C9 C10 1.366(12) . ?
C10 C11 1.369(11) . ?
C11 C12 1.380(10) . ?
C13 C14 1.537(10) . ?
C15 C16 1.378(10) . ?
C15 C20 1.408(9) . ?
C16 C17 1.368(11) . ?
C17 C18 1.389(11) . ?
C18 C19 1.357(12) . ?
C19 C20 1.376(11) . ?
C21 C26 1.370(10) . ?
C21 C22 1.387(10) . ?
C22 C23 1.388(9) . ?
C23 C24 1.375(13) . ?
C24 C25 1.365(13) . ?
C25 C26 1.384(11) . ?
C27 C28 1.517(11) . ?
C29 C34 1.388(10) . ?
C29 C30 1.403(11) . ?
C30 C31 1.391(13) . ?
C31 C32 1.358(14) . ?
C32 C33 1.379(12) . ?
C33 C34 1.379(11) . ?
C35 C40 1.379(10) . ?
C35 C36 1.381(10) . ?
C36 C37 1.392(10) . ?
C37 C38 1.389(11) . ?
C38 C39 1.361(11) . ?
C39 C40 1.386(10) . ?
C41 C42 1.519(11) . ?
C43 C48 1.371(11) . ?
C43 C44 1.394(11) . ?
C44 C45 1.383(12) . ?
C45 C46 1.357(14) . ?
C46 C47 1.365(15) . ?
C47 C48 1.397(13) . ?
C49 C50 1.377(10) . ?
C49 C54 1.386(10) . ?
C50 C51 1.402(10) . ?
C51 C52 1.340(13) . ?
C52 C53 1.396(13) . ?
C53 C54 1.393(11) . ?
C55 C56 1.504(11) . ?
O1S C4S 1.393(12) . ?
O1S C1S 1.400(10) . ?
C1S C2S 1.487(13) . ?
C2S C3S 1.511(14) . ?
C4S C3S 1.482(15) . ?
O2S C5S 1.334(18) . ?
O2S C8S 1.454(19) . ?
C5S C6S 1.62(2) . ?
C6S C7S 1.56(2) . ?
C7S C8S 1.370(19) . ?
O3S C9S 1.371(16) . ?
O3S C11S 1.451(17) . ?
C9S C10S 1.361(18) . ?
C11S C12S 1.343(18) . ?
