#------------------------------------------------------------------------------
#$Date: 2017-06-14 04:12:32 +0200 (Wed, 14 Jun 2017) $
#$Revision: 197787 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/7/22/84/7228458.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_7228458
loop_
_publ_author_name
'Hu, Ting'
'Li, Yu-Hang'
'Kuang, Xiao-Fei'
'Lu, Can-Zhong'
_publ_section_title
;
 Synthesis and characterization of polyoxometalate-based silver(i)
 phenylethynide compounds with antibacterial and antifungal activities
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00180K
_journal_year                    2017
_chemical_formula_sum            'C24 H53 Ag4 O48 P S8 W12'
_chemical_formula_weight         4034.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-01-23 deposited with the CCDC.
2017-05-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.596(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.0815(6)
_cell_length_b                   17.3104(5)
_cell_length_c                   25.7879(9)
_cell_measurement_reflns_used    7197
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.6050
_cell_measurement_theta_min      2.9990
_cell_volume                     7307.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_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  0.0553
_diffrn_reflns_av_sigmaI/netI    0.0626
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            20072
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    20.186
_exptl_absorpt_correction_T_max  0.4990
_exptl_absorpt_correction_T_min  0.1956
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    3.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7200
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.644
_refine_diff_density_min         -3.071
_refine_diff_density_rms         0.477
_refine_ls_extinction_coef       0.000109(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         6438
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      1.211
_refine_ls_R_factor_all          0.1125
_refine_ls_R_factor_gt           0.1027
_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)+(0.0000P)²+3350.9080P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2183
_refine_ls_wR_factor_ref         0.2217
_reflns_number_gt                5619
_reflns_number_total             6438
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce00180k2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7228458
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.6353(2) 0.0534(3) 0.75653(17) 0.0723(13) Uani 1 1 d . . 1
Ag2 Ag 0.5195(2) -0.0089(2) 0.80867(15) 0.0566(10) Uani 1 1 d . . 1
C1 C 0.824(3) 0.048(3) 0.712(2) 0.067(16) Uani 1 1 d . . 1
H1A H 0.8695 0.0706 0.7390 0.100 Uiso 1 1 calc R . 1
H1B H 0.8439 0.0228 0.6851 0.100 Uiso 1 1 calc R . 1
H1C H 0.7983 0.0102 0.7292 0.100 Uiso 1 1 calc R . 1
C2 C 0.687(3) 0.066(3) 0.6336(18) 0.056(13) Uani 1 1 d . . 1
H2A H 0.6691 0.0219 0.6499 0.084 Uiso 1 1 calc R . 1
H2B H 0.7124 0.0491 0.6070 0.084 Uiso 1 1 calc R . 1
H2C H 0.6402 0.0976 0.6165 0.084 Uiso 1 1 calc R . 1
C3 C 0.663(4) -0.210(4) 0.901(3) 0.10(2) Uani 1 1 d U . 1
H3A H 0.6249 -0.2509 0.8889 0.149 Uiso 1 1 calc R . 1
H3B H 0.6977 -0.2212 0.9367 0.149 Uiso 1 1 calc R . 1
H3C H 0.6961 -0.2037 0.8768 0.149 Uiso 1 1 calc R . 1
C4 C 0.549(6) -0.161(4) 0.937(3) 0.15(4) Uani 1 1 d . . 1
H4A H 0.5354 -0.1212 0.9591 0.224 Uiso 1 1 calc R . 1
H4B H 0.5771 -0.2020 0.9598 0.224 Uiso 1 1 calc R . 1
H4C H 0.5003 -0.1801 0.9120 0.224 Uiso 1 1 calc R . 1
C5 C 0.609(4) 0.170(4) 0.901(3) 0.11(3) Uani 1 1 d . . 1
H5A H 0.6387 0.1387 0.8824 0.160 Uiso 1 1 calc R . 1
H5B H 0.6471 0.2010 0.9277 0.160 Uiso 1 1 calc R . 1
H5C H 0.5718 0.2029 0.8759 0.160 Uiso 1 1 calc R . 1
C6 C 0.632(3) 0.074(3) 0.979(2) 0.076(16) Uani 1 1 d U . 1
H6A H 0.6719 0.0582 0.9618 0.113 Uiso 1 1 calc R . 1
H6B H 0.6151 0.0306 0.9963 0.113 Uiso 1 1 calc R . 1
H6C H 0.6543 0.1131 1.0055 0.113 Uiso 1 1 calc R . 1
C7 C 0.5000 0.152(3) 0.7500 0.018(9) Uani 0.50 1 d P A 1
C8 C 0.5000 0.081(3) 0.7500 0.038(13) Uani 1 2 d S . 1
C9 C 0.5000 0.238(3) 0.7500 0.032(12) Uani 1 2 d SU . 1
C10 C 0.447(3) 0.276(3) 0.7717(14) 0.046(11) Uani 1 1 d . B 1
H10 H 0.4112 0.2489 0.7857 0.055 Uiso 1 1 calc R B 1
C11 C 0.448(3) 0.355(2) 0.7729(16) 0.048(12) Uani 1 1 d . B 1
H11 H 0.4140 0.3810 0.7891 0.057 Uiso 1 1 calc R B 1
C12 C 0.5000 0.396(4) 0.7500 0.055(17) Uani 1 2 d SU . 1
H12 H 0.5000 0.4496 0.7500 0.065 Uiso 1 2 calc SR . 1
C13 C 0.604(4) -0.207(4) 0.742(3) 0.09(2) Uani 1 1 d U . 1
H13A H 0.5897 -0.1997 0.7754 0.139 Uiso 1 1 calc R . 1
H13B H 0.6206 -0.2598 0.7402 0.139 Uiso 1 1 calc R . 1
H13C H 0.5577 -0.1959 0.7121 0.139 Uiso 1 1 calc R . 1
C14 C 0.712(6) -0.198(4) 0.690(3) 0.13(4) Uani 1 1 d . . 1
H14A H 0.6633 -0.2151 0.6641 0.201 Uiso 1 1 calc R . 1
H14B H 0.7442 -0.2421 0.7063 0.201 Uiso 1 1 calc R . 1
H14C H 0.7433 -0.1661 0.6732 0.201 Uiso 1 1 calc R . 1
O1 O 0.7281(17) -0.0054(18) 0.8402(11) 0.050(8) Uani 1 1 d . C 1
O2 O 0.894(2) 0.032(2) 0.8570(15) 0.070(10) Uani 1 1 d U C 1
O3 O 0.995(2) 0.1288(16) 0.8151(11) 0.048(8) Uani 1 1 d . C 1
O4 O 1.044(2) -0.0131(17) 0.8692(15) 0.075(12) Uani 1 1 d . . 1
O5 O 0.819(2) 0.093(2) 0.9223(15) 0.068(9) Uani 1 1 d U C 1
O6 O 0.9444(19) 0.1603(19) 0.9061(13) 0.055(8) Uani 1 1 d U C 1
O7 O 0.8358(19) 0.254(2) 0.9408(15) 0.064(10) Uani 1 1 d . C 1
O8 O 0.9867(19) 0.2106(17) 1.0090(11) 0.051(8) Uani 1 1 d . C 1
O9 O 0.8553(17) 0.1455(19) 1.0205(11) 0.053(8) Uani 1 1 d . C 1
O10 O 1.2605(16) 0.1292(18) 0.9750(11) 0.046(7) Uani 1 1 d . C 1
O11 O 1.0956(18) 0.1214(16) 0.9189(12) 0.049(7) Uani 1 1 d U C 1
O12 O 1.137(2) 0.162(2) 1.0204(15) 0.078(11) Uani 1 1 d U C 1
O13 O 1.108(2) 0.2569(18) 1.1015(12) 0.060(9) Uani 1 1 d . C 1
O14 O 1.141(2) 0.103(2) 1.1115(14) 0.066(9) Uani 1 1 d U . 1
O15 O 0.9886(17) 0.1480(18) 1.1003(11) 0.050(8) Uani 1 1 d . C 1
O16 O 0.8437(18) 0.126(2) 1.1242(12) 0.063(10) Uani 1 1 d . C 1
O17 O 0.822(2) 0.004(2) 1.0494(16) 0.075(10) Uani 1 1 d U . 1
O18 O 0.781(3) -0.040(3) 0.9490(15) 0.099(16) Uani 1 1 d . . 1
O19 O 1.074(3) 0.049(3) 1.0266(18) 0.025(10) Uani 0.50 1 d PU C 1
O20 O 0.973(2) 0.073(2) 1.0151(17) 0.019(9) Uani 0.50 1 d PU C 1
O21 O 0.714(2) 0.1366(18) 0.7248(14) 0.060(9) Uani 1 1 d . . .
O22 O 0.557(2) -0.117(2) 0.8447(12) 0.065(10) Uani 1 1 d . . .
O23 O 0.523(2) 0.045(2) 0.8974(13) 0.079(13) Uani 1 1 d . . .
O24 O 0.645(2) -0.0732(18) 0.7174(15) 0.070(10) Uani 1 1 d . . .
O19' O 1.057(3) -0.047(3) 1.0485(19) 0.027(10) Uani 0.50 1 d PU . 2
O20' O 0.950(2) -0.015(2) 1.0403(15) 0.013(8) Uani 0.50 1 d PU . 2
P1 P 1.0000 0.0000 1.0000 0.013(2) Uani 1 2 d SU . .
S1 S 0.7548(9) 0.1188(7) 0.6825(5) 0.058(3) Uani 1 1 d . . .
S2 S 0.6099(9) -0.1235(8) 0.9030(6) 0.076(5) Uani 1 1 d . . .
S3 S 0.5536(11) 0.1088(10) 0.9343(7) 0.089(5) Uani 1 1 d . . .
S4 S 0.6859(11) -0.1445(10) 0.7414(6) 0.079(4) Uani 1 1 d . . .
W1 W 0.89435(9) 0.08731(9) 1.08591(6) 0.0282(4) Uani 1 1 d . . .
W2 W 0.99343(10) 0.08683(10) 0.87347(6) 0.0339(4) Uani 1 1 d . . .
W3 W 0.88846(9) 0.17364(9) 0.95961(6) 0.0302(4) Uani 1 1 d . . .
W4 W 1.17678(9) 0.08936(10) 0.98195(7) 0.0368(4) Uani 1 1 d . . .
W5 W 1.07264(10) 0.17652(9) 1.06804(6) 0.0325(4) Uani 1 1 d . . .
W6 W 0.81612(9) -0.00236(11) 0.89130(6) 0.0367(4) Uani 1 1 d . . .
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'
S S 0.1246 0.1234 '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'
W W -0.8490 6.8722 '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
O21 Ag1 C8 121.3(15) . .
O21 Ag1 O24 107.7(12) . .
C8 Ag1 O24 110.0(15) . .
O21 Ag1 O1 105.9(12) . .
C8 Ag1 O1 121.4(8) . .
O24 Ag1 O1 83.7(11) . .
O21 Ag1 Ag2 162.4(7) . .
C8 Ag1 Ag2 46.7(10) . .
O24 Ag1 Ag2 89.6(9) . .
O1 Ag1 Ag2 78.3(8) . .
O21 Ag1 Ag2 124.0(9) . 2_656
C8 Ag1 Ag2 46.6(10) . 2_656
O24 Ag1 Ag2 65.5(9) . 2_656
O1 Ag1 Ag2 126.6(8) . 2_656
Ag2 Ag1 Ag2 60.12(16) . 2_656
O22 Ag2 C8 158.4(13) . .
O22 Ag2 O23 90.0(14) . .
C8 Ag2 O23 110.0(15) . .
O22 Ag2 Ag1 111.9(10) . .
C8 Ag2 Ag1 52.25(19) . .
O23 Ag2 Ag1 116.9(11) . .
O22 Ag2 Ag1 134.3(10) . 2_656
C8 Ag2 Ag1 52.1(2) . 2_656
O23 Ag2 Ag1 100.2(8) . 2_656
Ag1 Ag2 Ag1 102.84(16) . 2_656
O22 Ag2 Ag2 114.2(9) . 2_656
C8 Ag2 Ag2 47.1(11) . 2_656
O23 Ag2 Ag2 155.3(9) . 2_656
Ag1 Ag2 Ag2 60.05(15) . 2_656
Ag1 Ag2 Ag2 59.83(15) 2_656 2_656
C8 C7 C9 180.00(3) . .
C7 C8 Ag2 137.1(11) . 2_656
C7 C8 Ag2 137.1(11) . .
Ag2 C8 Ag2 86(2) 2_656 .
C7 C8 Ag1 102.1(14) . 2_656
Ag2 C8 Ag1 81.1(12) 2_656 2_656
Ag2 C8 Ag1 81.3(12) . 2_656
C7 C8 Ag1 102.1(14) . .
Ag2 C8 Ag1 81.3(12) 2_656 .
Ag2 C8 Ag1 81.1(12) . .
Ag1 C8 Ag1 156(3) 2_656 .
C10 C9 C10 122(6) 2_656 .
C10 C9 C7 119(3) 2_656 .
C10 C9 C7 119(3) . .
C11 C10 C9 119(5) . .
C10 C11 C12 120(5) . .
C11 C12 C11 118(6) . 2_656
W6 O1 Ag1 149.6(19) . .
W2 O2 W6 140(2) . .
W1 O4 W2 140(2) 5_757 .
W6 O5 W3 145(2) . .
W2 O6 W3 143.0(19) . .
W5 O8 W3 140.4(16) . .
W3 O9 W1 139.5(17) . .
W4 O11 W2 139.1(16) . .
W4 O12 W5 145(2) . .
W5 O14 W6 142(2) . 5_757
W1 O15 W5 140.1(16) . .
W4 O17 W1 142(2) 5_757 .
W6 O18 W4 140(2) . 5_757
P1 O19 O20 52(2) . .
P1 O19 W5 126(2) . .
O20 O19 W5 74(2) . .
P1 O19 W4 124(2) . .
O20 O19 W4 132(3) . .
W5 O19 W4 92.3(15) . .
P1 O20 O19 56(2) . .
P1 O20 W3 130(2) . .
O19 O20 W3 132(3) . .
S1 O21 Ag1 125.6(19) . .
S2 O22 Ag2 122(2) . .
S3 O23 Ag2 144(3) . .
S4 O24 Ag1 132(2) . .
P1 O19' W3 124(2) . 5_757
P1 O19' W6 124(3) . 5_757
W3 O19' W6 94.3(16) 5_757 5_757
P1 O19' W2 121(2) . 5_757
W3 O19' W2 92.6(16) 5_757 5_757
W6 O19' W2 91.8(15) 5_757 5_757
P1 O20' W4 124(2) . 5_757
P1 O20' W2 123(2) . 5_757
W4 O20' W2 92.4(12) 5_757 5_757
P1 O20' W1 124(2) . .
W4 O20' W1 93.1(13) 5_757 .
W2 O20' W1 92.1(13) 5_757 .
O20 P1 O20 179.997(18) . 5_757
O20 P1 O19 109(2) . 5_757
O20 P1 O19 71(2) 5_757 5_757
O20 P1 O19 71(2) . .
O20 P1 O19 109(2) 5_757 .
O19 P1 O19 180(2) 5_757 .
O20 P1 O20' 109(2) . 5_757
O20 P1 O20' 71(2) 5_757 5_757
O19 P1 O20' 110(2) 5_757 5_757
O19 P1 O20' 70(2) . 5_757
O20 P1 O20' 71(2) . .
O20 P1 O20' 109(2) 5_757 .
O19 P1 O20' 70(2) 5_757 .
O19 P1 O20' 110(2) . .
O20' P1 O20' 179.998(14) 5_757 .
O20 P1 O19' 66(2) . 5_757
O20 P1 O19' 114(2) 5_757 5_757
O19 P1 O19' 71(2) 5_757 5_757
O19 P1 O19' 109(2) . 5_757
O20' P1 O19' 73(2) 5_757 5_757
O20' P1 O19' 107(2) . 5_757
O20 P1 O19' 114(2) . .
O20 P1 O19' 66(2) 5_757 .
O19 P1 O19' 109(2) 5_757 .
O19 P1 O19' 71(2) . .
O20' P1 O19' 107(2) 5_757 .
O20' P1 O19' 73(2) . .
O19' P1 O19' 180.00(2) 5_757 .
O21 S1 C2 107(2) . .
O21 S1 C1 103(2) . .
C2 S1 C1 101(3) . .
O22 S2 C4 105(3) . .
O22 S2 C3 102(3) . .
C4 S2 C3 95(4) . .
O23 S3 C6 105(3) . .
O23 S3 C5 106(3) . .
C6 S3 C5 97(3) . .
O24 S4 C13 104(3) . .
O24 S4 C14 109(3) . .
C13 S4 C14 93(3) . .
O16 W1 O4 102.0(19) . 5_757
O16 W1 O15 103.2(15) . .
O4 W1 O15 87.9(14) 5_757 .
O16 W1 O9 102.0(17) . .
O4 W1 O9 156.0(17) 5_757 .
O15 W1 O9 86.7(12) . .
O16 W1 O17 102.8(16) . .
O4 W1 O17 87.5(14) 5_757 .
O15 W1 O17 154.0(15) . .
O9 W1 O17 87.1(14) . .
O16 W1 O20' 157.8(16) . .
O4 W1 O20' 64.5(15) 5_757 .
O15 W1 O20' 94.2(13) . .
O9 W1 O20' 92.5(13) . .
O17 W1 O20' 60.9(14) . .
O3 W2 O6 103.8(15) . .
O3 W2 O2 105.3(16) . .
O6 W2 O2 87.4(14) . .
O3 W2 O11 99.6(14) . .
O6 W2 O11 87.6(13) . .
O2 W2 O11 155.1(15) . .
O3 W2 O4 102.0(16) . .
O6 W2 O4 154.2(16) . .
O2 W2 O4 85.7(15) . .
O11 W2 O4 88.2(12) . .
O3 W2 O20' 156.0(14) . 5_757
O6 W2 O20' 92.7(14) . 5_757
O2 W2 O20' 92.6(14) . 5_757
O11 W2 O20' 63.3(12) . 5_757
O4 W2 O20' 62.9(14) . 5_757
O3 W2 O19' 160.2(15) . 5_757
O6 W2 O19' 61.5(15) . 5_757
O2 W2 O19' 63.0(15) . 5_757
O11 W2 O19' 93.3(14) . 5_757
O4 W2 O19' 93.4(16) . 5_757
O20' W2 O19' 43.7(13) 5_757 5_757
O7 W3 O9 101.2(15) . .
O7 W3 O8 102.4(16) . .
O9 W3 O8 87.0(12) . .
O7 W3 O5 105.2(17) . .
O9 W3 O5 86.5(14) . .
O8 W3 O5 152.4(15) . .
O7 W3 O6 103.5(15) . .
O9 W3 O6 155.2(14) . .
O8 W3 O6 89.8(13) . .
O5 W3 O6 85.1(14) . .
O7 W3 O19' 158.5(17) . 5_757
O9 W3 O19' 93.0(15) . 5_757
O8 W3 O19' 94.3(15) . 5_757
O5 W3 O19' 59.4(15) . 5_757
O6 W3 O19' 62.7(15) . 5_757
O7 W3 O20 162.1(17) . .
O9 W3 O20 66.0(14) . .
O8 W3 O20 65.8(13) . .
O5 W3 O20 87.0(15) . .
O6 W3 O20 90.3(14) . .
O19' W3 O20 39.3(14) 5_757 .
O10 W4 O17 102.0(16) . 5_757
O10 W4 O12 103.9(17) . .
O17 W4 O12 154.0(18) 5_757 .
O10 W4 O18 100.2(18) . 5_757
O17 W4 O18 88.1(18) 5_757 5_757
O12 W4 O18 84.6(16) . 5_757
O10 W4 O11 103.3(14) . .
O17 W4 O11 88.6(15) 5_757 .
O12 W4 O11 88.3(15) . .
O18 W4 O11 156.5(17) 5_757 .
O10 W4 O20' 159.5(13) . 5_757
O17 W4 O20' 63.0(15) 5_757 5_757
O12 W4 O20' 92.6(16) . 5_757
O18 W4 O20' 93.5(18) 5_757 5_757
O11 W4 O20' 64.4(13) . 5_757
O10 W4 O19 158.6(14) . .
O17 W4 O19 92.9(17) 5_757 .
O12 W4 O19 61.4(16) . .
O18 W4 O19 64.7(17) 5_757 .
O11 W4 O19 92.2(14) . .
O20' W4 O19 41.9(14) 5_757 .
O13 W5 O14 100.8(16) . .
O13 W5 O12 105.2(18) . .
O14 W5 O12 85.2(16) . .
O13 W5 O8 103.9(15) . .
O14 W5 O8 155.3(14) . .
O12 W5 O8 88.8(16) . .
O13 W5 O15 101.1(15) . .
O14 W5 O15 89.1(14) . .
O12 W5 O15 153.7(16) . .
O8 W5 O15 85.7(13) . .
O13 W5 O19 159.4(17) . .
O14 W5 O19 64.4(15) . .
O12 W5 O19 61.2(17) . .
O8 W5 O19 91.8(14) . .
O15 W5 O19 93.2(14) . .
O1 W6 O5 105.9(15) . .
O1 W6 O18 100.9(19) . .
O5 W6 O18 86.5(18) . .
O1 W6 O2 103.5(16) . .
O5 W6 O2 89.4(16) . .
O18 W6 O2 155.5(19) . .
O1 W6 O14 101.9(14) . 5_757
O5 W6 O14 152.0(16) . 5_757
O18 W6 O14 85.7(16) . 5_757
O2 W6 O14 86.6(16) . 5_757
O1 W6 O19' 160.0(16) . 5_757
O5 W6 O19' 60.0(16) . 5_757
O18 W6 O19' 93(2) . 5_757
O2 W6 O19' 64.6(16) . 5_757
O14 W6 O19' 93.6(15) 5_757 5_757
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O21 2.27(3) .
Ag1 C8 2.320(13) .
Ag1 O24 2.44(3) .
Ag1 O1 2.50(3) .
Ag1 Ag2 2.898(6) .
Ag1 Ag2 2.905(6) 2_656
Ag2 O22 2.11(3) .
Ag2 C8 2.13(4) .
Ag2 O23 2.45(3) .
Ag2 Ag1 2.905(6) 2_656
Ag2 Ag2 2.907(7) 2_656
C1 S1 1.73(5) .
C2 S1 1.71(5) .
C3 S2 1.75(7) .
C4 S2 1.67(7) .
C5 S3 1.79(7) .
C6 S3 1.61(6) .
C7 C8 1.22(7) .
C7 C9 1.50(7) .
C8 Ag2 2.13(4) 2_656
C8 Ag1 2.320(13) 2_656
C9 C10 1.36(5) 2_656
C9 C10 1.36(5) .
C10 C11 1.36(6) .
C11 C12 1.39(6) .
C12 C11 1.39(6) 2_656
C13 S4 1.78(7) .
C14 S4 1.77(6) .
O1 W6 1.69(3) .
O2 W2 1.89(4) .
O2 W6 1.89(4) .
O3 W2 1.68(3) .
O4 W1 1.84(3) 5_757
O4 W2 1.95(3) .
O5 W6 1.82(4) .
O5 W3 1.91(4) .
O6 W2 1.85(3) .
O6 W3 1.90(3) .
O7 W3 1.65(3) .
O8 W5 1.88(3) .
O8 W3 1.90(3) .
O9 W3 1.88(3) .
O9 W1 1.91(3) .
O10 W4 1.64(3) .
O11 W4 1.89(3) .
O11 W2 1.90(3) .
O12 W4 1.85(4) .
O12 W5 1.88(4) .
O13 W5 1.66(3) .
O14 W5 1.87(3) .
O14 W6 1.90(4) 5_757
O15 W1 1.87(3) .
O15 W5 1.92(3) .
O16 W1 1.63(3) .
O17 W4 1.81(4) 5_757
O17 W1 1.95(4) .
O18 W6 1.88(4) .
O18 W4 1.92(4) 5_757
O19 P1 1.51(5) .
O19 O20 1.72(6) .
O19 W5 2.46(5) .
O19 W4 2.47(4) .
O20 P1 1.44(4) .
O20 W3 2.45(4) .
O21 S1 1.49(3) .
O22 S2 1.52(3) .
O23 S3 1.46(4) .
O24 S4 1.46(4) .
O19' P1 1.57(5) .
O19' W3 2.42(5) 5_757
O19' W6 2.43(5) 5_757
O19' W2 2.50(5) 5_757
O20' P1 1.55(4) .
O20' W4 2.44(4) 5_757
O20' W2 2.49(4) 5_757
O20' W1 2.47(4) .
P1 O20 1.44(4) 5_757
P1 O19 1.51(5) 5_757
P1 O20' 1.55(4) 5_757
P1 O19' 1.57(5) 5_757
W1 O4 1.84(3) 5_757
W2 O20' 2.49(4) 5_757
W2 O19' 2.50(5) 5_757
W3 O19' 2.42(5) 5_757
W4 O17 1.81(4) 5_757
W4 O18 1.92(4) 5_757
W4 O20' 2.44(4) 5_757
W6 O14 1.90(4) 5_757
W6 O19' 2.43(5) 5_757
