#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:25:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180434 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/03/7210386.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_7210386
loop_
_publ_author_name
'Li, Bing'
'Liao, Jian-Hong'
'Li, Yi-Juan'
'Liu, C. W.'
_publ_section_title
;
 Dihalogen-templated synthesis of dodecanuclear silver
 dichalcogenophosphate clusters
;
_journal_issue                   31
_journal_name_full               CrystEngComm
_journal_page_first              6140
_journal_paper_doi               10.1039/c3ce40829a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C40 H100 Ag12 I2 O20 P10 Se20'
_chemical_formula_weight         4338.34
_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                99.812(4)
_cell_angle_beta                 102.430(4)
_cell_angle_gamma                110.352(4)
_cell_formula_units_Z            1
_cell_length_a                   12.927(2)
_cell_length_b                   13.628(2)
_cell_length_c                   16.945(2)
_cell_measurement_reflns_used    2053
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.84
_cell_measurement_theta_min      2.31
_cell_volume                     2633.3(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0526
_diffrn_reflns_av_sigmaI/netI    0.1102
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14634
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    9.875
_exptl_absorpt_correction_T_max  0.3837
_exptl_absorpt_correction_T_min  0.2427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2000
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.794
_refine_diff_density_min         -1.862
_refine_diff_density_rms         0.250
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         9092
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1222
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0917P)²+4.4638P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1431
_refine_ls_wR_factor_ref         0.1895
_reflns_number_gt                5162
_reflns_number_total             9092
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40829a.txt
_cod_data_source_block           1
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2633.5(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7210386
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
Ag1 Ag 0.50926(13) 0.20526(12) 0.34307(9) 0.0537(4) Uani 1 1 d .
Ag2 Ag 0.29444(15) 0.22176(13) 0.21702(11) 0.0691(5) Uani 1 1 d .
Ag3 Ag 0.44932(13) 0.42934(12) 0.17589(10) 0.0608(4) Uani 1 1 d .
Ag4 Ag 0.33271(13) 0.54278(12) 0.28596(9) 0.0559(4) Uani 1 1 d .
Ag5 Ag 0.63525(13) 0.45093(11) 0.34281(9) 0.0514(4) Uani 1 1 d .
Ag6 Ag 0.44032(16) 0.30404(16) 0.50921(11) 0.0724(5) Uani 1 1 d .
C1 C 0.094(2) -0.042(2) 0.4165(19) 0.106(10) Uani 1 1 d .
H1A H 0.0435 -0.0069 0.3968 0.127 Uiso 1 1 calc R
H1B H 0.1602 0.0123 0.4616 0.127 Uiso 1 1 calc R
C2 C 0.034(3) -0.129(2) 0.448(2) 0.143(15) Uani 1 1 d .
H2A H 0.0076 -0.1011 0.4918 0.214 Uiso 1 1 calc R
H2B H 0.0852 -0.1613 0.4691 0.214 Uiso 1 1 calc R
H2C H -0.0309 -0.1821 0.4030 0.214 Uiso 1 1 calc R
C3 C 0.2804(18) -0.1385(16) 0.2546(13) 0.061(5) Uani 1 1 d .
H3A H 0.2657 -0.1654 0.3023 0.073 Uiso 1 1 calc R
H3B H 0.3632 -0.0986 0.2678 0.073 Uiso 1 1 calc R
C4 C 0.239(3) -0.235(2) 0.1777(19) 0.151(16) Uani 1 1 d .
H4A H 0.2797 -0.2808 0.1891 0.226 Uiso 1 1 calc R
H4B H 0.2552 -0.2088 0.1306 0.226 Uiso 1 1 calc R
H4C H 0.1579 -0.2757 0.1652 0.226 Uiso 1 1 calc R
C5 C 0.8012(14) 0.2345(18) 0.1871(17) 0.089(5) Uani 1 1 d D
H5A H 0.8472 0.3029 0.2294 0.107 Uiso 1 1 calc R
H5B H 0.7997 0.2475 0.1324 0.107 Uiso 1 1 calc R
C6 C 0.857(2) 0.150(2) 0.2000(17) 0.099(9) Uani 1 1 d .
H6A H 0.9338 0.1774 0.1955 0.149 Uiso 1 1 calc R
H6B H 0.8110 0.0823 0.1579 0.149 Uiso 1 1 calc R
H6C H 0.8592 0.1381 0.2546 0.149 Uiso 1 1 calc R
C7 C 0.491(2) 0.190(2) -0.0021(14) 0.089(5) Uani 1 1 d DU
H7A H 0.5120 0.2651 -0.0041 0.107 Uiso 1 1 calc R
H7B H 0.4217 0.1686 0.0152 0.107 Uiso 1 1 calc R
C8 C 0.463(4) 0.120(2) -0.0907(15) 0.18(2) Uani 1 1 d DU
H8A H 0.4025 0.1309 -0.1278 0.266 Uiso 1 1 calc R
H8B H 0.4376 0.0453 -0.0907 0.266 Uiso 1 1 calc R
H8C H 0.5304 0.1410 -0.1093 0.266 Uiso 1 1 calc R
C9 C 0.750(2) 0.718(2) 0.1664(15) 0.103(9) Uani 1 1 d .
H9A H 0.7407 0.6530 0.1269 0.123 Uiso 1 1 calc R
H9B H 0.6882 0.7399 0.1445 0.123 Uiso 1 1 calc R
C10 C 0.856(3) 0.801(3) 0.1765(17) 0.169(18) Uani 1 1 d .
H10A H 0.8596 0.8155 0.1234 0.253 Uiso 1 1 calc R
H10B H 0.9175 0.7790 0.1976 0.253 Uiso 1 1 calc R
H10C H 0.8653 0.8655 0.2154 0.253 Uiso 1 1 calc R
C11 C 0.622(2) 0.8893(17) 0.3525(15) 0.073(7) Uani 1 1 d .
H11A H 0.6334 0.8847 0.4100 0.088 Uiso 1 1 calc R
H11B H 0.5401 0.8526 0.3227 0.088 Uiso 1 1 calc R
C12 C 0.666(2) 1.0063(16) 0.3502(18) 0.096(9) Uani 1 1 d .
H12A H 0.6250 1.0421 0.3763 0.144 Uiso 1 1 calc R
H12B H 0.6541 1.0098 0.2930 0.144 Uiso 1 1 calc R
H12C H 0.7470 1.0416 0.3799 0.144 Uiso 1 1 calc R
C13 C 0.0806(16) 0.6347(18) 0.3400(11) 0.059(5) Uani 1 1 d .
H13A H 0.1146 0.5927 0.3106 0.071 Uiso 1 1 calc R
H13B H 0.1000 0.7037 0.3261 0.071 Uiso 1 1 calc R
C14 C -0.0511(15) 0.5727(18) 0.3144(12) 0.065(6) Uani 1 1 d .
H14A H -0.0827 0.5597 0.2551 0.097 Uiso 1 1 calc R
H14B H -0.0838 0.6152 0.3437 0.097 Uiso 1 1 calc R
H14C H -0.0693 0.5047 0.3285 0.097 Uiso 1 1 calc R
C15 C 0.0918(17) 0.4223(15) 0.4526(12) 0.057(5) Uani 1 1 d .
H15A H 0.1094 0.4286 0.5124 0.068 Uiso 1 1 calc R
H15B H 0.0216 0.4339 0.4340 0.068 Uiso 1 1 calc R
C16 C 0.080(2) 0.3125(15) 0.4041(13) 0.077(7) Uani 1 1 d .
H16A H 0.0177 0.2561 0.4130 0.115 Uiso 1 1 calc R
H16B H 0.1505 0.3034 0.4232 0.115 Uiso 1 1 calc R
H16C H 0.0636 0.3087 0.3454 0.115 Uiso 1 1 calc R
C17 C -0.037(2) 0.1433(17) -0.0212(14) 0.091(5) Uani 1 1 d D
H17A H -0.0506 0.1627 -0.0738 0.109 Uiso 1 1 calc R
H17B H 0.0236 0.1166 -0.0184 0.109 Uiso 1 1 calc R
C18 C -0.137(2) 0.0571(19) -0.0253(15) 0.115(11) Uani 1 1 d .
H18A H -0.1499 -0.0048 -0.0689 0.173 Uiso 1 1 calc R
H18B H -0.2017 0.0773 -0.0374 0.173 Uiso 1 1 calc R
H18C H -0.1286 0.0392 0.0274 0.173 Uiso 1 1 calc R
C19 C 0.203(2) 0.495(2) 0.0155(16) 0.091(5) Uani 1 1 d U
H19A H 0.2595 0.4757 -0.0049 0.109 Uiso 1 1 calc R
H19B H 0.2398 0.5389 0.0731 0.109 Uiso 1 1 calc R
C20 C 0.160(2) 0.561(2) -0.0378(17) 0.110(10) Uani 1 1 d U
H20A H 0.2243 0.6246 -0.0352 0.165 Uiso 1 1 calc R
H20B H 0.1051 0.5811 -0.0168 0.165 Uiso 1 1 calc R
H20C H 0.1238 0.5173 -0.0949 0.165 Uiso 1 1 calc R
I1 I 0.41272(10) 0.39897(8) 0.37373(7) 0.0394(3) Uani 1 1 d .
O1 O 0.1324(10) -0.0786(9) 0.3513(8) 0.048(3) Uani 1 1 d .
O2 O 0.2258(10) -0.0690(8) 0.2421(7) 0.041(3) Uani 1 1 d .
O3 O 0.6867(11) 0.1934(11) 0.1932(9) 0.070(3) Uani 1 1 d D
O4 O 0.5744(12) 0.1864(12) 0.0559(9) 0.070(3) Uani 1 1 d .
O5 O 0.7475(10) 0.6981(11) 0.2475(8) 0.062(4) Uani 1 1 d .
O6 O 0.6881(11) 0.8388(9) 0.3118(8) 0.061(4) Uani 1 1 d .
O7 O 0.1243(10) 0.6521(9) 0.4304(7) 0.045(3) Uani 1 1 d .
O8 O 0.1924(10) 0.5032(8) 0.4326(7) 0.043(3) Uani 1 1 d .
O9 O 0.0062(13) 0.2398(12) 0.0440(10) 0.087(3) Uani 1 1 d D
O10 O 0.1111(14) 0.3994(13) 0.0131(10) 0.087(3) Uani 1 1 d .
P1 P 0.2151(4) 0.0076(3) 0.3157(3) 0.0414(11) Uani 1 1 d .
P2 P 0.5836(4) 0.2243(4) 0.1497(3) 0.0457(11) Uani 1 1 d .
P3 P 0.6533(4) 0.7130(4) 0.2928(3) 0.0454(11) Uani 1 1 d .
P4 P 0.2311(4) 0.6281(3) 0.4666(3) 0.0335(9) Uani 1 1 d .
P5 P 0.1250(4) 0.3379(4) 0.0811(3) 0.0471(12) Uani 1 1 d .
Se1 Se 0.12926(18) 0.09845(16) 0.26298(14) 0.0608(6) Uani 1 1 d .
Se2 Se 0.37834(16) 0.08578(14) 0.41546(11) 0.0483(5) Uani 1 1 d .
Se3 Se 0.43655(17) 0.12192(14) 0.17895(12) 0.0489(5) Uani 1 1 d .
Se4 Se 0.63964(16) 0.40020(15) 0.18372(11) 0.0466(5) Uani 1 1 d .
Se5 Se 0.48087(16) 0.63229(15) 0.20478(11) 0.0470(5) Uani 1 1 d .
Se6 Se 0.69930(15) 0.66618(13) 0.40521(11) 0.0411(4) Uani 1 1 d .
Se7 Se 0.36388(15) 0.70552(14) 0.41254(10) 0.0402(4) Uani 1 1 d .
Se8 Se 0.73434(15) 0.32212(13) 0.39965(10) 0.0387(4) Uani 1 1 d .
Se9 Se 0.26017(17) 0.27846(15) 0.07510(11) 0.0514(5) Uani 1 1 d .
Se10 Se 0.12178(18) 0.41735(18) 0.19909(13) 0.0642(6) 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'
Se Se -0.0929 2.2259 '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'
I I -0.4742 1.8119 '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
Se2 Ag1 Se3 111.25(8) . .
Se2 Ag1 Se8 128.42(8) . .
Se3 Ag1 Se8 112.47(8) . .
Se2 Ag1 Ag5 141.87(7) . .
Se3 Ag1 Ag5 97.02(7) . .
Se8 Ag1 Ag5 54.26(5) . .
Se2 Ag1 Ag2 92.83(7) . .
Se3 Ag1 Ag2 55.03(6) . .
Se8 Ag1 Ag2 134.92(7) . .
Ag5 Ag1 Ag2 82.63(5) . .
Se2 Ag1 Ag6 56.07(6) . .
Se3 Ag1 Ag6 144.94(7) . .
Se8 Ag1 Ag6 97.70(7) . .
Ag5 Ag1 Ag6 86.07(5) . .
Ag2 Ag1 Ag6 91.12(6) . .
Se1 Ag2 Se9 123.18(9) . .
Se1 Ag2 Se3 112.18(8) . .
Se9 Ag2 Se3 94.73(8) . .
Se1 Ag2 I1 98.79(8) . .
Se9 Ag2 I1 117.06(7) . .
Se3 Ag2 I1 111.38(7) . .
Se1 Ag2 Ag3 158.61(8) . .
Se9 Ag2 Ag3 52.09(6) . .
Se3 Ag2 Ag3 89.20(7) . .
I1 Ag2 Ag3 71.43(5) . .
Se1 Ag2 Ag1 98.83(7) . .
Se9 Ag2 Ag1 135.33(8) . .
Se3 Ag2 Ag1 51.70(6) . .
I1 Ag2 Ag1 64.50(5) . .
Ag3 Ag2 Ag1 93.98(6) . .
Se9 Ag3 Se5 121.53(8) . .
Se9 Ag3 Se4 117.52(8) . .
Se5 Ag3 Se4 113.01(8) . .
Se9 Ag3 Ag2 54.08(6) . .
Se5 Ag3 Ag2 136.69(8) . .
Se4 Ag3 Ag2 102.49(7) . .
Se9 Ag3 Ag4 96.42(7) . .
Se5 Ag3 Ag4 54.22(6) . .
Se4 Ag3 Ag4 141.68(8) . .
Ag2 Ag3 Ag4 82.56(6) . .
Se9 Ag3 Ag5 135.90(8) . .
Se5 Ag3 Ag5 97.19(6) . .
Se4 Ag3 Ag5 54.09(5) . .
Ag2 Ag3 Ag5 83.78(6) . .
Ag4 Ag3 Ag5 89.53(6) . .
Se10 Ag4 Se7 117.12(8) . .
Se10 Ag4 Se5 118.36(8) . .
Se7 Ag4 Se5 104.79(8) . .
Se10 Ag4 I1 103.21(8) . .
Se7 Ag4 I1 102.52(6) . .
Se5 Ag4 I1 109.58(7) . .
Se10 Ag4 Ag3 95.90(7) . .
Se7 Ag4 Ag3 146.82(8) . .
Se5 Ag4 Ag3 51.98(5) . .
I1 Ag4 Ag3 70.76(5) . .
Se4 Ag5 Se8 97.37(7) . .
Se4 Ag5 Se6 112.31(7) . .
Se8 Ag5 Se6 128.23(8) . .
Se4 Ag5 I1 118.40(7) . .
Se8 Ag5 I1 109.85(6) . .
Se6 Ag5 I1 92.49(6) . .
Se4 Ag5 Ag1 94.02(6) . .
Se8 Ag5 Ag1 52.73(5) . .
Se6 Ag5 Ag1 152.05(7) . .
I1 Ag5 Ag1 65.66(5) . .
Se4 Ag5 Ag3 51.81(6) . .
Se8 Ag5 Ag3 135.66(7) . .
Se6 Ag5 Ag3 95.26(6) . .
I1 Ag5 Ag3 71.33(5) . .
Ag1 Ag5 Ag3 93.86(5) . .
Se6 Ag6 Se7 119.77(8) 2_666 2_666
Se6 Ag6 I1 107.40(7) 2_666 .
Se7 Ag6 I1 124.51(8) 2_666 .
Se6 Ag6 Se2 116.25(9) 2_666 .
Se7 Ag6 Se2 85.72(7) 2_666 .
I1 Ag6 Se2 98.89(7) . .
Se6 Ag6 Ag1 156.04(9) 2_666 .
Se7 Ag6 Ag1 80.61(6) 2_666 .
I1 Ag6 Ag1 64.01(5) . .
Se2 Ag6 Ag1 48.49(5) . .
O1 C1 C2 111(2) . .
O1 C1 H1A 109.4 . .
C2 C1 H1A 109.4 . .
O1 C1 H1B 109.4 . .
C2 C1 H1B 109.4 . .
H1A C1 H1B 108.0 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
O2 C3 C4 112.3(18) . .
O2 C3 H3A 109.1 . .
C4 C3 H3A 109.1 . .
O2 C3 H3B 109.1 . .
C4 C3 H3B 109.1 . .
H3A C3 H3B 107.9 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O3 C5 C6 109.6(17) . .
O3 C5 H5A 109.8 . .
C6 C5 H5A 109.8 . .
O3 C5 H5B 109.8 . .
C6 C5 H5B 109.8 . .
H5A C5 H5B 108.2 . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O4 C7 C8 117(2) . .
O4 C7 H7A 108.1 . .
C8 C7 H7A 108.1 . .
O4 C7 H7B 108.1 . .
C8 C7 H7B 108.1 . .
H7A C7 H7B 107.3 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 O5 109(2) . .
C10 C9 H9A 110.0 . .
O5 C9 H9A 110.0 . .
C10 C9 H9B 110.0 . .
O5 C9 H9B 110.0 . .
H9A C9 H9B 108.4 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O6 C11 C12 107.0(16) . .
O6 C11 H11A 110.3 . .
C12 C11 H11A 110.3 . .
O6 C11 H11B 110.3 . .
C12 C11 H11B 110.3 . .
H11A C11 H11B 108.6 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O7 C13 C14 107.3(15) . .
O7 C13 H13A 110.3 . .
C14 C13 H13A 110.3 . .
O7 C13 H13B 110.3 . .
C14 C13 H13B 110.3 . .
H13A C13 H13B 108.5 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 O8 103.6(15) . .
C16 C15 H15A 111.0 . .
O8 C15 H15A 111.0 . .
C16 C15 H15B 111.0 . .
O8 C15 H15B 111.0 . .
H15A C15 H15B 109.0 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 O9 120(2) . .
C18 C17 H17A 107.4 . .
O9 C17 H17A 107.4 . .
C18 C17 H17B 107.4 . .
O9 C17 H17B 107.4 . .
H17A C17 H17B 106.9 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O10 C19 C20 111(2) . .
O10 C19 H19A 109.3 . .
C20 C19 H19A 109.3 . .
O10 C19 H19B 109.3 . .
C20 C19 H19B 109.3 . .
H19A C19 H19B 108.0 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Ag6 I1 Ag5 101.64(6) . .
Ag6 I1 Ag2 107.98(6) . .
Ag5 I1 Ag2 92.33(5) . .
Ag6 I1 Ag4 152.54(6) . .
Ag5 I1 Ag4 99.04(5) . .
Ag2 I1 Ag4 88.93(5) . .
C1 O1 P1 119.1(13) . .
C3 O2 P1 122.4(12) . .
C5 O3 P2 125.8(14) . .
C7 O4 P2 119.7(13) . .
C9 O5 P3 123.0(15) . .
C11 O6 P3 120.5(12) . .
C13 O7 P4 119.6(9) . .
C15 O8 P4 121.2(10) . .
C17 O9 P5 133.8(16) . .
C19 O10 P5 120.5(15) . .
O2 P1 O1 100.6(6) . .
O2 P1 Se1 107.1(5) . .
O1 P1 Se1 110.3(5) . .
O2 P1 Se2 110.4(5) . .
O1 P1 Se2 104.8(5) . .
Se1 P1 Se2 121.7(2) . .
O4 P2 O3 100.8(7) . .
O4 P2 Se3 111.4(6) . .
O3 P2 Se3 104.2(5) . .
O4 P2 Se4 108.1(6) . .
O3 P2 Se4 109.5(5) . .
Se3 P2 Se4 121.0(2) . .
O6 P3 O5 101.8(7) . .
O6 P3 Se6 111.2(6) . .
O5 P3 Se6 101.9(5) . .
O6 P3 Se5 108.4(6) . .
O5 P3 Se5 110.1(5) . .
Se6 P3 Se5 121.6(2) . .
O7 P4 O8 105.8(7) . .
O7 P4 Se8 104.4(4) . 2_666
O8 P4 Se8 112.4(5) . 2_666
O7 P4 Se7 108.1(5) . .
O8 P4 Se7 106.9(5) . .
Se8 P4 Se7 118.5(2) 2_666 .
O9 P5 O10 98.0(9) . .
O9 P5 Se10 105.0(7) . .
O10 P5 Se10 113.5(6) . .
O9 P5 Se9 108.3(6) . .
O10 P5 Se9 109.9(6) . .
Se10 P5 Se9 119.6(2) . .
P1 Se1 Ag2 98.23(15) . .
P1 Se2 Ag1 101.34(14) . .
P1 Se2 Ag6 117.84(14) . .
Ag1 Se2 Ag6 75.44(7) . .
P2 Se3 Ag1 98.30(14) . .
P2 Se3 Ag2 114.16(14) . .
Ag1 Se3 Ag2 73.27(6) . .
P2 Se4 Ag3 104.13(14) . .
P2 Se4 Ag5 104.47(14) . .
Ag3 Se4 Ag5 74.10(7) . .
P3 Se5 Ag3 102.54(14) . .
P3 Se5 Ag4 108.89(14) . .
Ag3 Se5 Ag4 73.80(7) . .
P3 Se6 Ag6 105.69(15) . 2_666
P3 Se6 Ag5 100.98(14) . .
Ag6 Se6 Ag5 108.91(8) 2_666 .
P4 Se7 Ag6 109.33(13) . 2_666
P4 Se7 Ag4 101.63(13) . .
Ag6 Se7 Ag4 89.21(7) 2_666 .
P4 Se8 Ag1 104.06(13) 2_666 .
P4 Se8 Ag5 103.79(12) 2_666 .
Ag1 Se8 Ag5 73.01(6) . .
P5 Se9 Ag3 106.09(15) . .
P5 Se9 Ag2 101.73(16) . .
Ag3 Se9 Ag2 73.83(7) . .
P5 Se10 Ag4 107.65(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Se2 2.584(2) .
Ag1 Se3 2.639(2) .
Ag1 Se8 2.642(2) .
Ag1 Ag5 3.175(2) .
Ag1 Ag2 3.220(2) .
Ag1 Ag6 3.340(2) .
Ag2 Se1 2.580(3) .
Ag2 Se9 2.644(2) .
Ag2 Se3 2.755(2) .
Ag2 I1 2.953(2) .
Ag2 Ag3 3.135(2) .
Ag3 Se9 2.575(2) .
Ag3 Se5 2.593(2) .
Ag3 Se4 2.605(2) .
Ag3 Ag4 3.161(2) .
Ag3 Ag5 3.188(2) .
Ag4 Se10 2.588(3) .
Ag4 Se7 2.658(2) .
Ag4 Se5 2.670(2) .
Ag4 I1 2.9771(18) .
Ag5 Se4 2.684(2) .
Ag5 Se8 2.694(2) .
Ag5 Se6 2.699(2) .
Ag5 I1 2.8999(19) .
Ag6 Se6 2.638(2) 2_666
Ag6 Se7 2.651(2) 2_666
Ag6 I1 2.8377(18) .
Ag6 Se2 2.863(3) .
C1 O1 1.39(2) .
C1 C2 1.43(3) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 O2 1.38(2) .
C3 C4 1.53(3) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 O3 1.423(9) .
C5 C6 1.58(3) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 O4 1.31(2) .
C7 C8 1.525(10) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.39(4) .
C9 O5 1.45(3) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 O6 1.48(2) .
C11 C12 1.51(3) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 O7 1.46(2) .
C13 C14 1.54(3) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.52(2) .
C15 O8 1.53(2) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.39(3) .
C17 O9 1.411(10) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 O10 1.41(3) .
C19 C20 1.53(3) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
O1 P1 1.591(12) .
O2 P1 1.547(11) .
O3 P2 1.603(14) .
O4 P2 1.550(14) .
O5 P3 1.622(12) .
O6 P3 1.567(12) .
O7 P4 1.553(11) .
O8 P4 1.558(11) .
O9 P5 1.553(16) .
O10 P5 1.553(18) .
P1 Se1 2.114(5) .
P1 Se2 2.176(5) .
P2 Se3 2.145(5) .
P2 Se4 2.178(5) .
P3 Se6 2.141(5) .
P3 Se5 2.170(5) .
P4 Se8 2.152(4) 2_666
P4 Se7 2.154(4) .
P5 Se10 2.121(5) .
P5 Se9 2.180(5) .
Se6 Ag6 2.638(2) 2_666
Se7 Ag6 2.651(2) 2_666
Se8 P4 2.152(4) 2_666
