#------------------------------------------------------------------------------
#$Date: 2017-06-14 05:12:32 +0300 (Wed, 14 Jun 2017) $
#$Revision: 197787 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/84/7228457.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_7228457
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 Mo12 O48 P S8'
_chemical_formula_weight         2979.87
_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                 106.578(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.9657(8)
_cell_length_b                   17.2724(8)
_cell_length_c                   25.7174(12)
_cell_measurement_reflns_used    6373
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.2170
_cell_measurement_theta_min      3.2880
_cell_volume                     7222.9(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            14762
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.88
_exptl_absorpt_coefficient_mu    3.410
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76251
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_diffrn    2.740
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5664
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         5.349
_refine_diff_density_min         -4.101
_refine_diff_density_rms         0.414
_refine_ls_extinction_coef       0.00010(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         6351
_refine_ls_number_restraints     348
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.1743
_refine_ls_R_factor_gt           0.1655
_refine_ls_shift/su_max          0.003
_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+2384.2620P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3103
_refine_ls_wR_factor_ref         0.3140
_reflns_number_gt                5702
_reflns_number_total             6351
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce00180k2.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7228457
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 0.3641(2) 0.4470(2) 0.24429(14) 0.0719(9) Uani 1 1 d U . 4
Ag2 Ag 0.47930(18) 0.50941(17) 0.19112(12) 0.0574(8) Uani 1 1 d U . 4
C1 C 0.5000 0.418(2) 0.2500 0.038(9) Uani 1 2 d SU . 4
C2 C 0.5000 0.350(2) 0.2500 0.027(8) Uani 0.50 1 d PU A 4
C3 C 0.5000 0.265(3) 0.2500 0.044(10) Uani 1 2 d SU . 4
C4 C 0.5510(19) 0.2278(19) 0.2279(13) 0.044(7) Uani 1 1 d U B 4
H4 H 0.5855 0.2568 0.2131 0.053 Uiso 1 1 calc R B 4
C5 C 0.555(2) 0.145(2) 0.2260(14) 0.053(8) Uani 1 1 d U B 4
H5 H 0.5908 0.1204 0.2101 0.064 Uiso 1 1 calc R B 4
C6 C 0.5000 0.102(3) 0.2500 0.056(12) Uani 1 2 d SU . 4
H6 H 0.5000 0.0478 0.2500 0.068 Uiso 1 2 calc SR . 4
C7 C 0.365(3) 0.427(3) 0.017(2) 0.093(14) Uani 1 1 d U C 4
H7A H 0.3296 0.4535 0.0343 0.140 Uiso 1 1 calc R C 4
H7B H 0.3361 0.3847 -0.0041 0.140 Uiso 1 1 calc R C 4
H7C H 0.3837 0.4621 -0.0057 0.140 Uiso 1 1 calc R C 4
C8 C 0.391(3) 0.330(3) 0.096(2) 0.104(15) Uani 1 1 d U C 4
H8A H 0.4284 0.2955 0.1203 0.157 Uiso 1 1 calc R C 4
H8B H 0.3523 0.3005 0.0687 0.157 Uiso 1 1 calc R C 4
H8C H 0.3621 0.3602 0.1161 0.157 Uiso 1 1 calc R C 4
C9 C 0.448(4) 0.655(4) 0.062(2) 0.120(18) Uani 1 1 d U D 4
H9A H 0.4600 0.7090 0.0690 0.181 Uiso 1 1 calc R D 4
H9B H 0.4212 0.6470 0.0246 0.181 Uiso 1 1 calc R D 4
H9C H 0.4987 0.6261 0.0726 0.181 Uiso 1 1 calc R D 4
C10 C 0.327(3) 0.710(3) 0.099(2) 0.093(14) Uani 1 1 d U D 4
H10A H 0.2783 0.6949 0.1077 0.140 Uiso 1 1 calc R D 4
H10B H 0.3131 0.7338 0.0638 0.140 Uiso 1 1 calc R D 4
H10C H 0.3582 0.7456 0.1256 0.140 Uiso 1 1 calc R D 4
C11 C 0.391(3) 0.706(3) 0.257(2) 0.088(13) Uani 1 1 d U E 4
H11A H 0.4375 0.6952 0.2880 0.131 Uiso 1 1 calc R E 4
H11B H 0.3746 0.7588 0.2584 0.131 Uiso 1 1 calc R E 4
H11C H 0.4066 0.6973 0.2244 0.131 Uiso 1 1 calc R E 4
C12 C 0.285(4) 0.698(4) 0.310(2) 0.124(18) Uani 1 1 d U E 4
H12A H 0.2946 0.6656 0.3420 0.187 Uiso 1 1 calc R E 4
H12B H 0.2271 0.7106 0.2979 0.187 Uiso 1 1 calc R E 4
H12C H 0.3162 0.7446 0.3193 0.187 Uiso 1 1 calc R E 4
C13 C 0.175(2) 0.456(2) 0.2886(15) 0.058(9) Uani 1 1 d U F 4
H13A H 0.2008 0.4909 0.2690 0.088 Uiso 1 1 calc R F 4
H13B H 0.1604 0.4843 0.3166 0.088 Uiso 1 1 calc R F 4
H13C H 0.1271 0.4340 0.2641 0.088 Uiso 1 1 calc R F 4
C14 C 0.313(2) 0.433(2) 0.3662(16) 0.065(10) Uani 1 1 d U F 4
H14A H 0.3473 0.3979 0.3916 0.098 Uiso 1 1 calc R F 4
H14B H 0.2850 0.4667 0.3849 0.098 Uiso 1 1 calc R F 4
H14C H 0.3469 0.4642 0.3498 0.098 Uiso 1 1 calc R F 4
Mo1 Mo 0.18370(17) 0.50376(18) 0.10925(11) 0.0446(7) Uani 1 1 d U . 4
Mo2 Mo 0.11362(17) 0.32712(16) 0.04070(11) 0.0413(7) Uani 1 1 d U G 4
Mo3 Mo 0.00624(17) 0.41278(17) 0.12607(11) 0.0410(7) Uani 1 1 d U G 4
Mo4 Mo -0.17771(17) 0.41248(18) 0.01820(12) 0.0448(7) Uani 1 1 d U G 4
Mo5 Mo -0.07251(18) 0.32257(17) -0.06626(12) 0.0441(7) Uani 1 1 d U . 4
Mo6 Mo -0.10482(16) 0.58811(16) 0.08602(11) 0.0381(6) Uani 1 1 d U . 4
O1 O 0.4766(17) 0.4574(17) 0.1024(11) 0.071(7) Uani 1 1 d U C 4
O2 O 0.4425(16) 0.6199(16) 0.1554(11) 0.064(7) Uani 1 1 d U D 4
O3 O 0.3563(18) 0.5740(17) 0.2836(12) 0.077(8) Uani 1 1 d U E 4
O4 O 0.2857(17) 0.3657(17) 0.2755(12) 0.075(8) Uani 1 1 d U F 4
O5 O 0.2706(12) 0.5057(13) 0.1593(8) 0.043(5) Uani 1 1 d U H 4
O6 O 0.1859(18) 0.4023(18) 0.0833(12) 0.081(8) Uani 1 1 d U G 4
O7 O 0.1082(17) 0.4672(17) 0.1438(12) 0.075(8) Uani 1 1 d U G 4
O8 O 0.0772(19) 0.5499(19) 0.0271(13) 0.021(7) Uani 0.50 1 d PU . 1
O8' O 0.028(2) 0.425(2) -0.0170(15) 0.034(8) Uani 0.50 1 d PU . 2
O10 O -0.0479(18) 0.4851(18) 0.0415(12) 0.018(6) Uani 0.50 1 d PU . 1
O10' O -0.051(2) 0.546(2) -0.0492(15) 0.034(8) Uani 0.50 1 d PU . 2
O12 O 0.1471(14) 0.3555(14) -0.0191(9) 0.054(6) Uani 1 1 d U . .
O13 O 0.1668(15) 0.2451(15) 0.0600(10) 0.061(6) Uani 1 1 d U . .
O14 O 0.0564(17) 0.3355(17) 0.0949(11) 0.072(7) Uani 1 1 d U . .
O15 O 0.0163(13) 0.2883(13) -0.0067(9) 0.049(5) Uani 1 1 d U . .
O16 O 0.0071(15) 0.3730(15) 0.1855(10) 0.058(6) Uani 1 1 d U . .
O17 O -0.0971(16) 0.3790(15) 0.0822(10) 0.062(6) Uani 1 1 d U . .
O18 O -0.0440(15) 0.5110(15) 0.1314(10) 0.063(7) Uani 1 1 d U . .
O19 O -0.1550(16) 0.6258(16) 0.1249(11) 0.068(7) Uani 1 1 d U . .
O20 O -0.1793(16) 0.5069(16) 0.0510(11) 0.068(7) Uani 1 1 d U . .
O21 O -0.0106(13) 0.6494(13) 0.0995(9) 0.046(5) Uani 1 1 d U . .
O22 O -0.2627(15) 0.3711(15) 0.0260(10) 0.057(6) Uani 1 1 d U . .
O23 O -0.2202(18) 0.4603(18) -0.0506(12) 0.082(8) Uani 1 1 d U . .
O24 O -0.1388(19) 0.3313(19) -0.0192(13) 0.085(9) Uani 1 1 d U . .
O25 O -0.145(2) 0.395(2) -0.1150(14) 0.095(10) Uani 1 1 d U . .
O9 O -0.1050(16) 0.2405(16) -0.0988(11) 0.066(7) Uani 1 1 d U . .
P1 P 0.0000 0.5000 0.0000 0.0180(17) Uani 1 2 d SU . .
S1 S 0.4465(8) 0.3923(8) 0.0649(5) 0.086(3) Uani 1 1 d U . .
S2 S 0.3887(7) 0.6257(7) 0.0980(5) 0.073(3) Uani 1 1 d U . .
S3 S 0.3137(8) 0.6475(8) 0.2582(5) 0.084(3) Uani 1 1 d U . .
S4 S 0.2438(6) 0.3834(6) 0.3175(4) 0.064(3) Uani 1 1 d U . .
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'
Mo Mo -1.6832 0.6857 '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
O4 Ag1 C1 121.5(12) . .
O4 Ag1 O3 107.9(10) . .
C1 Ag1 O3 109.9(12) . .
O4 Ag1 O5 105.8(9) . .
C1 Ag1 O5 120.7(6) . .
O3 Ag1 O5 84.4(8) . .
O4 Ag1 Ag2 162.8(8) . .
C1 Ag1 Ag2 47.1(8) . .
O3 Ag1 Ag2 89.1(7) . .
O5 Ag1 Ag2 77.5(5) . .
O4 Ag1 Ag2 124.6(7) . 2_655
C1 Ag1 Ag2 46.9(8) . 2_655
O3 Ag1 Ag2 65.0(7) . 2_655
O5 Ag1 Ag2 126.4(5) . 2_655
Ag2 Ag1 Ag2 60.13(12) . 2_655
O2 Ag2 C1 158.6(10) . .
O2 Ag2 O1 90.1(10) . .
C1 Ag2 O1 110.1(10) . .
O2 Ag2 Ag1 112.5(7) . .
C1 Ag2 Ag1 52.35(15) . .
O1 Ag2 Ag1 118.0(7) . .
O2 Ag2 Ag1 133.2(7) . 2_655
C1 Ag2 Ag1 52.09(15) . 2_655
O1 Ag2 Ag1 99.7(7) . 2_655
Ag1 Ag2 Ag1 102.81(14) . 2_655
O2 Ag2 Ag2 113.7(7) . 2_655
C1 Ag2 Ag2 47.4(8) . 2_655
O1 Ag2 Ag2 155.3(7) . 2_655
Ag1 Ag2 Ag2 60.18(12) . 2_655
Ag1 Ag2 Ag2 59.69(12) 2_655 2_655
C2 C1 Ag2 137.4(8) . .
C2 C1 Ag2 137.4(8) . 2_655
Ag2 C1 Ag2 85.2(16) . 2_655
C2 C1 Ag1 102.5(10) . .
Ag2 C1 Ag1 80.6(9) . .
Ag2 C1 Ag1 81.1(9) 2_655 .
C2 C1 Ag1 102.5(10) . 2_655
Ag2 C1 Ag1 81.1(9) . 2_655
Ag2 C1 Ag1 80.6(9) 2_655 2_655
Ag1 C1 Ag1 155(2) . 2_655
C1 C2 C3 180.000(12) . .
C4 C3 C4 123(5) . 2_655
C4 C3 C2 119(2) . .
C4 C3 C2 119(2) 2_655 .
C3 C4 C5 122(3) . .
C4 C5 C6 117(4) . .
C5 C6 C5 118(5) 2_655 .
O5 Mo1 O6 101.1(12) . .
O5 Mo1 O25 99.9(13) . 5_565
O6 Mo1 O25 159.0(14) . 5_565
O5 Mo1 O7 102.5(11) . .
O6 Mo1 O7 86.5(13) . .
O25 Mo1 O7 88.6(14) 5_565 .
O5 Mo1 O23 101.1(12) . 5_565
O6 Mo1 O23 88.7(13) . 5_565
O25 Mo1 O23 87.7(14) 5_565 5_565
O7 Mo1 O23 156.4(13) . 5_565
O13 Mo2 O15 100.9(11) . .
O13 Mo2 O12 101.7(11) . .
O15 Mo2 O12 88.6(10) . .
O13 Mo2 O6 101.7(13) . .
O15 Mo2 O6 157.2(12) . .
O12 Mo2 O6 89.9(12) . .
O13 Mo2 O14 100.9(12) . .
O15 Mo2 O14 88.0(11) . .
O12 Mo2 O14 157.3(11) . .
O6 Mo2 O14 84.7(12) . .
O16 Mo3 O14 102.2(12) . .
O16 Mo3 O7 102.3(12) . .
O14 Mo3 O7 87.8(12) . .
O16 Mo3 O17 100.6(11) . .
O14 Mo3 O17 89.0(12) . .
O7 Mo3 O17 157.1(12) . .
O16 Mo3 O18 100.7(11) . .
O14 Mo3 O18 157.1(12) . .
O7 Mo3 O18 86.5(12) . .
O17 Mo3 O18 87.7(11) . .
O22 Mo4 O20 101.4(12) . .
O22 Mo4 O23 100.8(13) . .
O20 Mo4 O23 89.4(13) . .
O22 Mo4 O17 101.4(11) . .
O20 Mo4 O17 88.5(11) . .
O23 Mo4 O17 157.7(12) . .
O22 Mo4 O24 100.3(13) . .
O20 Mo4 O24 158.3(13) . .
O23 Mo4 O24 86.8(13) . .
O17 Mo4 O24 86.9(12) . .
O9 Mo5 O24 102.7(13) . .
O9 Mo5 O21 99.9(11) . 5_565
O24 Mo5 O21 157.4(12) . 5_565
O9 Mo5 O25 99.7(14) . .
O24 Mo5 O25 88.7(14) . .
O21 Mo5 O25 87.7(12) 5_565 .
O9 Mo5 O15 102.2(12) . .
O24 Mo5 O15 89.4(12) . .
O21 Mo5 O15 85.6(9) 5_565 .
O25 Mo5 O15 157.9(12) . .
O19 Mo6 O21 103.3(12) . .
O19 Mo6 O18 101.1(13) . .
O21 Mo6 O18 89.9(10) . .
O19 Mo6 O12 102.7(12) . 5_565
O21 Mo6 O12 87.7(10) . 5_565
O18 Mo6 O12 155.9(11) . 5_565
O19 Mo6 O20 101.0(13) . .
O21 Mo6 O20 155.7(10) . .
O18 Mo6 O20 86.8(11) . .
O12 Mo6 O20 85.6(11) 5_565 .
S1 O1 Ag2 143.4(18) . .
S2 O2 Ag2 120.3(16) . .
S3 O3 Ag1 130.7(17) . .
S4 O4 Ag1 126.1(18) . .
Mo1 O5 Ag1 150.0(12) . .
Mo1 O6 Mo2 140.0(17) . .
Mo1 O7 Mo3 138.8(16) . .
P1 O8 O10 54.0(14) . 5_565
P1 O8' O10' 56.9(18) . 5_565
P1 O10 O8 55.0(14) . 5_565
P1 O10' O8' 54.3(18) . 5_565
Mo2 O12 Mo6 138.7(13) . 5_565
Mo3 O14 Mo2 138.4(16) . .
Mo2 O15 Mo5 139.2(13) . .
Mo4 O17 Mo3 137.6(15) . .
Mo6 O18 Mo3 139.4(14) . .
Mo4 O20 Mo6 139.9(15) . .
Mo6 O21 Mo5 139.8(12) . 5_565
Mo1 O23 Mo4 139.7(17) 5_565 .
Mo5 O24 Mo4 137.3(18) . .
Mo1 O25 Mo5 135.8(19) 5_565 .
O10' P1 O10' 180(3) . 5_565
O10' P1 O8' 111(2) . .
O10' P1 O8' 69(2) 5_565 .
O10' P1 O8' 69(2) . 5_565
O10' P1 O8' 111(2) 5_565 5_565
O8' P1 O8' 180.0(14) . 5_565
O10' P1 O10 68.3(17) . 5_565
O10' P1 O10 111.7(17) 5_565 5_565
O8' P1 O10 70.2(18) . 5_565
O8' P1 O10 109.8(18) 5_565 5_565
O10' P1 O10 111.7(17) . .
O10' P1 O10 68.3(17) 5_565 .
O8' P1 O10 109.8(18) . .
O8' P1 O10 70.2(18) 5_565 .
O10 P1 O10 179.998(5) 5_565 .
O10' P1 O8 73.1(18) . 5_565
O10' P1 O8 106.9(18) 5_565 5_565
O8' P1 O8 71.9(18) . 5_565
O8' P1 O8 108.1(18) 5_565 5_565
O10 P1 O8 109.0(16) 5_565 5_565
O10 P1 O8 71.0(16) . 5_565
O10' P1 O8 106.9(18) . .
O10' P1 O8 73.1(18) 5_565 .
O8' P1 O8 108.1(18) . .
O8' P1 O8 71.9(18) 5_565 .
O10 P1 O8 71.0(16) 5_565 .
O10 P1 O8 109.0(16) . .
O8 P1 O8 180(2) 5_565 .
O1 S1 C7 105(2) . .
O1 S1 C8 107(2) . .
C7 S1 C8 97(3) . .
O2 S2 C9 106(2) . .
O2 S2 C10 104(2) . .
C9 S2 C10 102(3) . .
O3 S3 C11 103(2) . .
O3 S3 C12 107(2) . .
C11 S3 C12 96(3) . .
O4 S4 C14 105.4(19) . .
O4 S4 C13 103.8(18) . .
C14 S4 C13 101(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O4 2.24(3) .
Ag1 C1 2.323(10) .
Ag1 O3 2.44(3) .
Ag1 O5 2.52(2) .
Ag1 Ag2 2.894(4) .
Ag1 Ag2 2.908(5) 2_655
Ag2 O2 2.13(3) .
Ag2 C1 2.15(3) .
Ag2 O1 2.44(3) .
Ag2 Ag1 2.908(5) 2_655
Ag2 Ag2 2.907(6) 2_655
C1 C2 1.18(6) .
C1 Ag2 2.15(3) 2_655
C1 Ag1 2.323(10) 2_655
C2 C3 1.47(6) .
C3 C4 1.32(4) .
C3 C4 1.32(4) 2_655
C4 C5 1.43(5) .
C5 C6 1.47(4) .
C6 C5 1.47(4) 2_655
C7 S1 1.67(5) .
C8 S1 1.76(5) .
C9 S2 1.63(6) .
C10 S2 1.79(5) .
C11 S3 1.67(5) .
C12 S3 1.78(6) .
C13 S4 1.73(4) .
C14 S4 1.69(4) .
Mo1 O5 1.66(2) .
Mo1 O6 1.88(3) .
Mo1 O25 1.88(3) 5_565
Mo1 O7 1.86(3) .
Mo1 O23 1.89(3) 5_565
Mo2 O13 1.68(3) .
Mo2 O15 1.87(2) .
Mo2 O12 1.85(2) .
Mo2 O6 1.90(3) .
Mo2 O14 1.92(3) .
Mo3 O16 1.67(2) .
Mo3 O14 1.88(3) .
Mo3 O7 1.91(3) .
Mo3 O17 1.89(3) .
Mo3 O18 1.92(3) .
Mo4 O22 1.67(2) .
Mo4 O20 1.84(3) .
Mo4 O23 1.90(3) .
Mo4 O17 1.91(3) .
Mo4 O24 1.92(3) .
Mo5 O9 1.66(3) .
Mo5 O24 1.88(3) .
Mo5 O21 1.91(2) 5_565
Mo5 O25 1.95(3) .
Mo5 O15 1.91(2) .
Mo6 O19 1.62(3) .
Mo6 O21 1.87(2) .
Mo6 O18 1.88(3) .
Mo6 O12 1.93(2) 5_565
Mo6 O20 1.93(3) .
O1 S1 1.48(3) .
O2 S2 1.50(3) .
O3 S3 1.51(3) .
O4 S4 1.48(3) .
O8 P1 1.56(3) .
O8 O10 1.80(4) 5_565
O8' P1 1.49(4) .
O8' O10' 1.71(5) 5_565
O10 P1 1.54(3) .
O10 O8 1.80(4) 5_565
O10' P1 1.54(4) .
O10' O8' 1.71(5) 5_565
O12 Mo6 1.93(2) 5_565
O21 Mo5 1.91(2) 5_565
O23 Mo1 1.89(3) 5_565
O25 Mo1 1.88(3) 5_565
P1 O10' 1.54(4) 5_565
P1 O8' 1.49(4) 5_565
P1 O10 1.54(3) 5_565
P1 O8 1.56(3) 5_565
