#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:37:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180270 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/56/7115673.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_7115673
loop_
_publ_author_name
'Jens P. Eussner'
'Stefanie Dehnen'
_publ_section_title
;
 Bronze, silver and gold: functionalized group 11 organotin sulfide
 clusters
;
_journal_name_full               Chem.Commun.
_journal_page_first              11385
_journal_paper_doi               10.1039/C4cc05666C
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C84 H118 Ag2 Cl2 O8 P2 S14 Sn10'
_chemical_formula_weight         3240.10
_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                91.365(3)
_cell_angle_beta                 102.845(2)
_cell_angle_gamma                100.328(2)
_cell_formula_units_Z            1
_cell_length_a                   12.5280(4)
_cell_length_b                   15.2617(5)
_cell_length_c                   15.4195(5)
_cell_measurement_temperature    100(2)
_cell_volume                     2821.60(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  IPDS2
_diffrn_measurement_method       /w
_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  0.1340
_diffrn_reflns_av_sigmaI/netI    0.0989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28531
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.71
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    2.890
_exptl_absorpt_correction_T_max  0.4285
_exptl_absorpt_correction_T_min  0.4186
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;
_exptl_crystal_density_diffrn    1.907
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_size_rad          0.20
_refine_diff_density_max         2.065
_refine_diff_density_min         -1.616
_refine_diff_density_rms         0.247
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         11905
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0374
_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)+(0.0475P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0701
_reflns_number_gt                10828
_reflns_number_total             11905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc05666c2.cif
_cod_data_source_block           Compound3
_cod_database_code               7115673
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_correction_t_ave  0.4243
#END Tags that were not found in dictionaries
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
C1 C -0.3052(3) 0.08002(19) 0.23800(18) 0.0214(6) Uani 1 1 d .
C2 C -0.3012(3) -0.0135(2) 0.2704(2) 0.0333(8) Uani 1 1 d .
H2A H -0.3474 -0.0581 0.2240 0.050 Uiso 1 1 calc R
H2B H -0.3295 -0.0195 0.3247 0.050 Uiso 1 1 calc R
H2C H -0.2240 -0.0230 0.2831 0.050 Uiso 1 1 calc R
C3 C -0.2353(3) 0.1513(2) 0.3096(2) 0.0314(7) Uani 1 1 d .
H3A H -0.2336 0.2104 0.2858 0.047 Uiso 1 1 calc R
H3B H -0.1592 0.1400 0.3274 0.047 Uiso 1 1 calc R
H3C H -0.2685 0.1493 0.3616 0.047 Uiso 1 1 calc R
C4 C -0.4240(3) 0.0947(2) 0.2114(2) 0.0267(7) Uani 1 1 d .
H4A H -0.4714 0.0400 0.1779 0.032 Uiso 1 1 calc R
H4B H -0.4507 0.1037 0.2661 0.032 Uiso 1 1 calc R
C5 C -0.4392(3) 0.1729(2) 0.1553(2) 0.0243(6) Uani 1 1 d .
C6 C -0.5315(3) 0.2195(2) 0.1607(2) 0.0330(7) Uani 1 1 d .
H6A H -0.5420 0.2592 0.1118 0.049 Uiso 1 1 calc R
H6B H -0.5134 0.2547 0.2179 0.049 Uiso 1 1 calc R
H6C H -0.6002 0.1755 0.1562 0.049 Uiso 1 1 calc R
C7 C 0.1494(2) 0.24709(18) 0.28089(17) 0.0179(5) Uani 1 1 d .
C8 C 0.1902(3) 0.1770(2) 0.34201(18) 0.0257(6) Uani 1 1 d .
H8A H 0.2307 0.1413 0.3119 0.038 Uiso 1 1 calc R
H8B H 0.1262 0.1380 0.3564 0.038 Uiso 1 1 calc R
H8C H 0.2401 0.2066 0.3971 0.038 Uiso 1 1 calc R
C9 C 0.0790(3) 0.3003(2) 0.32319(19) 0.0236(6) Uani 1 1 d .
H9A H 0.0542 0.3450 0.2829 0.035 Uiso 1 1 calc R
H9B H 0.1240 0.3302 0.3799 0.035 Uiso 1 1 calc R
H9C H 0.0139 0.2596 0.3338 0.035 Uiso 1 1 calc R
C10 C 0.2483(3) 0.30906(19) 0.25958(18) 0.0211(6) Uani 1 1 d .
H10A H 0.2821 0.3528 0.3111 0.025 Uiso 1 1 calc R
H10B H 0.3049 0.2732 0.2530 0.025 Uiso 1 1 calc R
C11 C 0.2231(3) 0.35934(18) 0.17762(19) 0.0205(6) Uani 1 1 d .
C12 C 0.3080(3) 0.4385(2) 0.1668(2) 0.0327(7) Uani 1 1 d .
H12A H 0.2933 0.4536 0.1043 0.049 Uiso 1 1 calc R
H12B H 0.3827 0.4242 0.1841 0.049 Uiso 1 1 calc R
H12C H 0.3033 0.4894 0.2048 0.049 Uiso 1 1 calc R
C13 C 0.0540(2) 0.32391(17) -0.17644(18) 0.0181(5) Uani 1 1 d .
C14 C -0.0191(3) 0.35362(19) -0.2466(2) 0.0228(6) Uani 1 1 d .
H14 H -0.0440 0.3193 -0.3020 0.027 Uiso 1 1 calc R
C15 C -0.0560(3) 0.4334(2) -0.2359(2) 0.0310(7) Uani 1 1 d .
H15 H -0.1068 0.4527 -0.2836 0.037 Uiso 1 1 calc R
C16 C -0.0185(3) 0.4842(2) -0.1559(3) 0.0350(8) Uani 1 1 d .
H16 H -0.0421 0.5392 -0.1490 0.042 Uiso 1 1 calc R
C17 C 0.0538(3) 0.4548(2) -0.0854(2) 0.0320(7) Uani 1 1 d .
H17 H 0.0792 0.4898 -0.0304 0.038 Uiso 1 1 calc R
C18 C 0.0660(3) 0.18208(18) -0.29922(18) 0.0201(6) Uani 1 1 d .
C19 C -0.0354(3) 0.1245(2) -0.3332(2) 0.0257(6) Uani 1 1 d .
H19 H -0.0843 0.1058 -0.2954 0.031 Uiso 1 1 calc R
C20 C -0.0648(3) 0.0946(2) -0.4228(2) 0.0342(8) Uani 1 1 d .
H20 H -0.1341 0.0557 -0.4463 0.041 Uiso 1 1 calc R
C21 C 0.0068(4) 0.1212(3) -0.4774(2) 0.0388(9) Uani 1 1 d .
H21 H -0.0130 0.1001 -0.5383 0.047 Uiso 1 1 calc R
C22 C 0.1070(4) 0.1785(3) -0.4440(2) 0.0400(9) Uani 1 1 d .
H22 H 0.1554 0.1973 -0.4822 0.048 Uiso 1 1 calc R
C23 C 0.1376(3) 0.2088(2) -0.3547(2) 0.0299(7) Uani 1 1 d .
H23 H 0.2071 0.2476 -0.3317 0.036 Uiso 1 1 calc R
C24 C 0.2524(2) 0.25101(17) -0.15012(17) 0.0175(5) Uani 1 1 d .
C25 C 0.3130(3) 0.18939(19) -0.10792(18) 0.0210(6) Uani 1 1 d .
H25 H 0.2748 0.1323 -0.0977 0.025 Uiso 1 1 calc R
C26 C 0.4284(3) 0.2106(2) -0.08072(19) 0.0259(6) Uani 1 1 d .
H26 H 0.4690 0.1680 -0.0527 0.031 Uiso 1 1 calc R
C27 C 0.4841(3) 0.2943(2) -0.0946(2) 0.0268(6) Uani 1 1 d .
H27 H 0.5630 0.3092 -0.0755 0.032 Uiso 1 1 calc R
C28 C 0.4253(3) 0.3560(2) -0.1363(2) 0.0284(7) Uani 1 1 d .
H28 H 0.4635 0.4134 -0.1455 0.034 Uiso 1 1 calc R
C29 C 0.3098(3) 0.33389(19) -0.1645(2) 0.0247(6) Uani 1 1 d .
H29 H 0.2698 0.3761 -0.1941 0.030 Uiso 1 1 calc R
C30 C 0.8025(3) 0.46238(19) 0.38137(19) 0.0208(6) Uani 1 1 d .
C31 C 0.8331(3) 0.3768(2) 0.4226(2) 0.0270(7) Uani 1 1 d .
H31A H 0.7760 0.3253 0.3948 0.040 Uiso 1 1 calc R
H31B H 0.8372 0.3815 0.4868 0.040 Uiso 1 1 calc R
H31C H 0.9055 0.3692 0.4126 0.040 Uiso 1 1 calc R
C32 C 0.8896(3) 0.5438(2) 0.4262(2) 0.0279(7) Uani 1 1 d .
H32A H 0.8657 0.5984 0.4039 0.042 Uiso 1 1 calc R
H32B H 0.9615 0.5404 0.4125 0.042 Uiso 1 1 calc R
H32C H 0.8973 0.5447 0.4909 0.042 Uiso 1 1 calc R
C33 C 0.7930(3) 0.4571(2) 0.2804(2) 0.0295(7) Uani 1 1 d .
H33A H 0.8313 0.5152 0.2649 0.035 Uiso 1 1 calc R
H33B H 0.8350 0.4114 0.2668 0.035 Uiso 1 1 calc R
C34 C 0.6801(3) 0.43613(18) 0.22054(19) 0.0229(6) Uani 1 1 d .
C35 C 0.6727(3) 0.4197(2) 0.1223(2) 0.0315(7) Uani 1 1 d .
H35A H 0.5946 0.4118 0.0895 0.047 Uiso 1 1 calc R
H35B H 0.7018 0.3657 0.1125 0.047 Uiso 1 1 calc R
H35C H 0.7168 0.4708 0.1010 0.047 Uiso 1 1 calc R
C36 C 0.5700(3) 0.21797(18) 0.6024(2) 0.0236(6) Uani 1 1 d .
C37 C 0.6747(3) 0.1997(2) 0.5763(2) 0.0328(7) Uani 1 1 d .
H37A H 0.7398 0.2422 0.6100 0.049 Uiso 1 1 calc R
H37B H 0.6677 0.2064 0.5123 0.049 Uiso 1 1 calc R
H37C H 0.6842 0.1387 0.5898 0.049 Uiso 1 1 calc R
C38 C 0.4667(3) 0.1561(2) 0.5463(2) 0.0336(8) Uani 1 1 d .
H38A H 0.4000 0.1687 0.5636 0.050 Uiso 1 1 calc R
H38B H 0.4728 0.0939 0.5564 0.050 Uiso 1 1 calc R
H38C H 0.4611 0.1661 0.4831 0.050 Uiso 1 1 calc R
C39 C 0.5776(3) 0.20681(19) 0.7015(2) 0.0257(6) Uani 1 1 d .
H39A H 0.5033 0.2059 0.7140 0.031 Uiso 1 1 calc R
H39B H 0.5991 0.1487 0.7166 0.031 Uiso 1 1 calc R
C40 C 0.6603(3) 0.27976(19) 0.7596(2) 0.0238(6) Uani 1 1 d .
C41 C 0.7343(3) 0.2571(2) 0.8438(2) 0.0318(7) Uani 1 1 d .
H41A H 0.7726 0.3121 0.8799 0.048 Uiso 1 1 calc R
H41B H 0.7896 0.2251 0.8285 0.048 Uiso 1 1 calc R
H41C H 0.6889 0.2192 0.8777 0.048 Uiso 1 1 calc R
C050 C 0.0892(3) 0.3746(2) -0.0948(2) 0.0257(6) Uani 1 1 d .
H050 H 0.1372 0.3542 -0.0460 0.031 Uiso 1 1 calc R
O1 O -0.37466(19) 0.19581(14) 0.10615(14) 0.0251(4) Uani 1 1 d .
O2 O 0.13639(17) 0.33588(12) 0.12056(13) 0.0197(4) Uani 1 1 d .
O3 O 0.5964(2) 0.43502(15) 0.24843(14) 0.0277(5) Uani 1 1 d .
O4 O 0.6677(2) 0.35721(13) 0.73844(14) 0.0259(5) Uani 1 1 d .
P1 P 0.10071(6) 0.21840(4) -0.18121(4) 0.01572(14) Uani 1 1 d .
S1 S -0.05993(6) 0.03685(4) 0.17832(4) 0.01674(13) Uani 1 1 d .
S2 S -0.11960(6) 0.23947(4) 0.09496(5) 0.01841(14) Uani 1 1 d .
S3 S -0.33259(6) 0.01926(4) -0.01417(4) 0.01679(13) Uani 1 1 d .
S4 S 0.17084(6) 0.14387(4) 0.06500(4) 0.01444(13) Uani 1 1 d .
S5 S 0.50740(6) 0.34408(5) 0.40866(4) 0.02079(14) Uani 1 1 d .
S6 S 0.69806(6) 0.48343(4) 0.58029(4) 0.01931(14) Uani 1 1 d .
S7 S 0.60371(7) 0.61818(5) 0.37217(5) 0.02368(15) Uani 1 1 d .
Cl1 Cl -0.29573(6) 0.00107(4) -0.23643(4) 0.02114(14) Uani 1 1 d .
Ag1 Ag 0.033202(18) 0.105249(12) -0.085858(12) 0.01675(5) Uani 1 1 d .
Sn1 Sn -0.230434(16) 0.100229(11) 0.122289(11) 0.01523(5) Uani 1 1 d .
Sn2 Sn 0.047840(15) 0.182056(11) 0.154595(11) 0.01354(5) Uani 1 1 d .
Sn3 Sn -0.173365(16) 0.019991(11) -0.085786(11) 0.01394(5) Uani 1 1 d .
Sn4 Sn 0.645784(16) 0.475541(11) 0.415343(11) 0.01624(5) Uani 1 1 d .
Sn5 Sn 0.554006(16) 0.355337(11) 0.572876(12) 0.01647(5) 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'
Cl Cl 0.1484 0.1585 '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'
Sn Sn -0.6537 1.4246 '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
C4 C1 C2 111.0(3) . .
C4 C1 C3 110.4(3) . .
C2 C1 C3 110.8(3) . .
C4 C1 Sn1 108.27(19) . .
C2 C1 Sn1 110.87(19) . .
C3 C1 Sn1 105.39(19) . .
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 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C5 C4 C1 114.5(2) . .
C5 C4 H4A 108.6 . .
C1 C4 H4A 108.6 . .
C5 C4 H4B 108.6 . .
C1 C4 H4B 108.6 . .
H4A C4 H4B 107.6 . .
O1 C5 C6 122.3(3) . .
O1 C5 C4 119.2(3) . .
C6 C5 C4 118.5(3) . .
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 . .
C10 C7 C8 109.9(3) . .
C10 C7 C9 110.7(2) . .
C8 C7 C9 111.1(2) . .
C10 C7 Sn2 106.82(17) . .
C8 C7 Sn2 109.63(18) . .
C9 C7 Sn2 108.69(19) . .
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 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 C7 115.8(3) . .
C11 C10 H10A 108.3 . .
C7 C10 H10A 108.3 . .
C11 C10 H10B 108.3 . .
C7 C10 H10B 108.3 . .
H10A C10 H10B 107.4 . .
O2 C11 C10 121.1(3) . .
O2 C11 C12 121.0(3) . .
C10 C11 C12 118.0(3) . .
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 . .
C14 C13 C050 119.3(3) . .
C14 C13 P1 124.0(2) . .
C050 C13 P1 116.7(2) . .
C13 C14 C15 120.4(3) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C16 C15 C14 119.9(3) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 C17 120.0(3) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C050 C17 C16 120.4(3) . .
C050 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
C23 C18 C19 119.9(3) . .
C23 C18 P1 122.2(2) . .
C19 C18 P1 117.9(2) . .
C20 C19 C18 119.8(3) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
C21 C20 C19 119.9(3) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 120.4(3) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C21 C22 C23 120.4(3) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C22 C23 C18 119.6(3) . .
C22 C23 H23 120.2 . .
C18 C23 H23 120.2 . .
C29 C24 C25 118.7(3) . .
C29 C24 P1 123.6(2) . .
C25 C24 P1 117.7(2) . .
C26 C25 C24 120.7(3) . .
C26 C25 H25 119.6 . .
C24 C25 H25 119.6 . .
C27 C26 C25 119.7(3) . .
C27 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
C28 C27 C26 120.2(3) . .
C28 C27 H27 119.9 . .
C26 C27 H27 119.9 . .
C27 C28 C29 119.8(3) . .
C27 C28 H28 120.1 . .
C29 C28 H28 120.1 . .
C24 C29 C28 120.9(3) . .
C24 C29 H29 119.6 . .
C28 C29 H29 119.6 . .
C32 C30 C33 110.4(2) . .
C32 C30 C31 110.0(3) . .
C33 C30 C31 111.2(2) . .
C32 C30 Sn4 106.95(19) . .
C33 C30 Sn4 112.5(2) . .
C31 C30 Sn4 105.67(19) . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 C30 118.2(3) . .
C34 C33 H33A 107.7 . .
C30 C33 H33A 107.7 . .
C34 C33 H33B 107.7 . .
C30 C33 H33B 107.7 . .
H33A C33 H33B 107.1 . .
O3 C34 C33 121.8(3) . .
O3 C34 C35 120.8(3) . .
C33 C34 C35 117.4(3) . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C37 C36 C39 110.8(3) . .
C37 C36 C38 110.3(3) . .
C39 C36 C38 110.5(3) . .
C37 C36 Sn5 108.09(19) . .
C39 C36 Sn5 109.47(18) . .
C38 C36 Sn5 107.5(2) . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C36 C38 H38A 109.5 . .
C36 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C36 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C40 C39 C36 112.8(2) . .
C40 C39 H39A 109.0 . .
C36 C39 H39A 109.0 . .
C40 C39 H39B 109.0 . .
C36 C39 H39B 109.0 . .
H39A C39 H39B 107.8 . .
O4 C40 C39 120.1(3) . .
O4 C40 C41 120.5(3) . .
C39 C40 C41 119.4(3) . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C17 C050 C13 119.9(3) . .
C17 C050 H050 120.1 . .
C13 C050 H050 120.1 . .
C5 O1 Sn1 110.7(2) . .
C11 O2 Sn2 107.26(18) . .
C34 O3 Sn4 110.9(2) . .
C13 P1 C18 105.13(13) . .
C13 P1 C24 103.27(13) . .
C18 P1 C24 105.77(13) . .
C13 P1 Ag1 116.18(9) . .
C18 P1 Ag1 114.10(9) . .
C24 P1 Ag1 111.31(9) . .
Sn2 S1 Sn1 86.92(2) . .
Sn2 S1 Ag1 116.39(2) . 2
Sn1 S1 Ag1 117.63(3) . 2
Sn2 S2 Sn1 89.41(2) . .
Sn1 S3 Sn3 97.63(3) . .
Sn2 S4 Sn3 104.93(2) . 2
Sn2 S4 Ag1 100.24(3) . .
Sn3 S4 Ag1 90.80(2) 2 .
Sn4 S5 Sn5 87.63(2) . .
Sn5 S6 Sn4 87.26(2) . .
Sn4 S7 Sn5 109.53(3) . 2_666
P1 Ag1 S4 104.02(2) . .
P1 Ag1 S1 96.82(2) . 2
S4 Ag1 S1 114.81(2) . 2
P1 Ag1 Sn3 131.23(2) . .
S4 Ag1 Sn3 117.322(16) . .
S1 Ag1 Sn3 88.713(16) 2 .
C1 Sn1 S3 116.58(8) . .
C1 Sn1 S2 124.42(8) . .
S3 Sn1 S2 111.26(2) . .
C1 Sn1 S1 98.67(8) . .
S3 Sn1 S1 108.46(2) . .
S2 Sn1 S1 91.39(2) . .
C1 Sn1 O1 73.62(10) . .
S3 Sn1 O1 88.87(5) . .
S2 Sn1 O1 80.89(5) . .
S1 Sn1 O1 162.64(5) . .
C7 Sn2 S4 108.42(8) . .
C7 Sn2 S2 115.46(8) . .
S4 Sn2 S2 123.69(2) . .
C7 Sn2 S1 110.57(7) . .
S4 Sn2 S1 103.91(2) . .
S2 Sn2 S1 92.20(2) . .
C7 Sn2 O2 73.59(8) . .
S4 Sn2 O2 79.42(5) . .
S2 Sn2 O2 80.92(5) . .
S1 Sn2 O2 173.07(5) . .
Cl1 Sn3 S3 92.41(2) . .
Cl1 Sn3 S4 97.07(2) . 2
S3 Sn3 S4 93.42(2) . 2
Cl1 Sn3 Ag1 111.720(18) . .
S3 Sn3 Ag1 143.867(17) . .
S4 Sn3 Ag1 109.025(17) 2 .
C30 Sn4 S5 118.47(8) . .
C30 Sn4 S7 108.39(8) . .
S5 Sn4 S7 123.77(3) . .
C30 Sn4 S6 101.85(8) . .
S5 Sn4 S6 92.41(2) . .
S7 Sn4 S6 107.15(2) . .
C30 Sn4 O3 74.48(9) . .
S5 Sn4 O3 80.21(5) . .
S7 Sn4 O3 84.31(6) . .
S6 Sn4 O3 168.52(5) . .
C36 Sn5 S6 128.74(9) . .
C36 Sn5 S7 105.57(8) . 2_666
S6 Sn5 S7 115.14(3) . 2_666
C36 Sn5 S5 101.49(8) . .
S6 Sn5 S5 92.62(2) . .
S7 Sn5 S5 110.26(3) 2_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C4 1.513(5) .
C1 C2 1.529(4) .
C1 C3 1.530(4) .
C1 Sn1 2.196(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 C5 1.505(4) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 O1 1.239(4) .
C5 C6 1.478(4) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C10 1.521(4) .
C7 C8 1.525(4) .
C7 C9 1.532(4) .
C7 Sn2 2.179(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.497(4) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 O2 1.226(4) .
C11 C12 1.498(4) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.395(4) .
C13 C050 1.401(4) .
C13 P1 1.815(3) .
C14 C15 1.395(4) .
C14 H14 0.9500 .
C15 C16 1.382(5) .
C15 H15 0.9500 .
C16 C17 1.391(5) .
C16 H16 0.9500 .
C17 C050 1.389(4) .
C17 H17 0.9500 .
C18 C23 1.389(4) .
C18 C19 1.393(4) .
C18 P1 1.822(3) .
C19 C20 1.392(4) .
C19 H19 0.9500 .
C20 C21 1.377(5) .
C20 H20 0.9500 .
C21 C22 1.379(6) .
C21 H21 0.9500 .
C22 C23 1.387(5) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C29 1.388(4) .
C24 C25 1.397(4) .
C24 P1 1.825(3) .
C25 C26 1.388(5) .
C25 H25 0.9500 .
C26 C27 1.387(4) .
C26 H26 0.9500 .
C27 C28 1.383(5) .
C27 H27 0.9500 .
C28 C29 1.390(5) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 C32 1.533(4) .
C30 C33 1.534(4) .
C30 C31 1.538(4) .
C30 Sn4 2.183(3) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.483(5) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 O3 1.216(4) .
C34 C35 1.509(4) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 C37 1.524(5) .
C36 C39 1.526(4) .
C36 C38 1.529(5) .
C36 Sn5 2.190(3) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C40 1.498(4) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 O4 1.227(4) .
C40 C41 1.504(4) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C050 H050 0.9500 .
O1 Sn1 2.493(2) .
O2 Sn2 2.5301(19) .
O3 Sn4 2.543(2) .
P1 Ag1 2.4514(7) .
S1 Sn2 2.4603(6) .
S1 Sn1 2.4910(7) .
S1 Ag1 2.6783(7) 2
S2 Sn2 2.4194(7) .
S2 Sn1 2.4221(7) .
S3 Sn1 2.3883(7) .
S3 Sn3 2.4841(7) .
S4 Sn2 2.4192(6) .
S4 Sn3 2.5337(6) 2
S4 Ag1 2.5532(7) .
S5 Sn4 2.3885(7) .
S5 Sn5 2.4634(7) .
S6 Sn5 2.3926(7) .
S6 Sn4 2.4756(7) .
S7 Sn4 2.4051(7) .
S7 Sn5 2.4082(8) 2_666
Cl1 Sn3 2.4607(7) .
Ag1 S1 2.6783(7) 2
Ag1 Sn3 2.6803(3) .
Sn3 S4 2.5338(6) 2
Sn5 S7 2.4082(8) 2_666
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C2 C1 C4 C5 -163.5(2) . .
C3 C1 C4 C5 73.3(3) . .
Sn1 C1 C4 C5 -41.6(3) . .
C1 C4 C5 O1 28.9(4) . .
C1 C4 C5 C6 -151.4(3) . .
C8 C7 C10 C11 159.2(2) . .
C9 C7 C10 C11 -77.8(3) . .
Sn2 C7 C10 C11 40.3(3) . .
C7 C10 C11 O2 -17.4(4) . .
C7 C10 C11 C12 163.5(3) . .
C050 C13 C14 C15 0.6(4) . .
P1 C13 C14 C15 176.4(2) . .
C13 C14 C15 C16 1.1(5) . .
C14 C15 C16 C17 -1.5(5) . .
C15 C16 C17 C050 0.2(5) . .
C23 C18 C19 C20 -0.4(5) . .
P1 C18 C19 C20 -179.5(3) . .
C18 C19 C20 C21 0.6(5) . .
C19 C20 C21 C22 -0.8(6) . .
C20 C21 C22 C23 0.9(6) . .
C21 C22 C23 C18 -0.8(6) . .
C19 C18 C23 C22 0.6(5) . .
P1 C18 C23 C22 179.6(3) . .
C29 C24 C25 C26 0.1(4) . .
P1 C24 C25 C26 -178.6(2) . .
C24 C25 C26 C27 0.8(4) . .
C25 C26 C27 C28 -0.7(4) . .
C26 C27 C28 C29 -0.3(5) . .
C25 C24 C29 C28 -1.1(4) . .
P1 C24 C29 C28 177.5(2) . .
C27 C28 C29 C24 1.2(5) . .
C32 C30 C33 C34 -136.1(3) . .
C31 C30 C33 C34 101.5(3) . .
Sn4 C30 C33 C34 -16.7(3) . .
C30 C33 C34 O3 10.1(4) . .
C30 C33 C34 C35 -172.4(3) . .
C37 C36 C39 C40 71.0(3) . .
C38 C36 C39 C40 -166.4(3) . .
Sn5 C36 C39 C40 -48.1(3) . .
C36 C39 C40 O4 40.2(4) . .
C36 C39 C40 C41 -139.6(3) . .
C16 C17 C050 C13 1.5(5) . .
C14 C13 C050 C17 -1.9(4) . .
P1 C13 C050 C17 -178.0(3) . .
C6 C5 O1 Sn1 178.6(2) . .
C4 C5 O1 Sn1 -1.6(3) . .
C10 C11 O2 Sn2 -12.0(3) . .
C12 C11 O2 Sn2 167.1(2) . .
C33 C34 O3 Sn4 1.2(3) . .
C35 C34 O3 Sn4 -176.3(2) . .
C14 C13 P1 C18 15.6(3) . .
C050 C13 P1 C18 -168.5(2) . .
C14 C13 P1 C24 126.3(2) . .
C050 C13 P1 C24 -57.8(2) . .
C14 C13 P1 Ag1 -111.6(2) . .
C050 C13 P1 Ag1 64.4(2) . .
C23 C18 P1 C13 87.0(3) . .
C19 C18 P1 C13 -94.0(2) . .
C23 C18 P1 C24 -21.9(3) . .
C19 C18 P1 C24 157.1(2) . .
C23 C18 P1 Ag1 -144.6(2) . .
C19 C18 P1 Ag1 34.4(3) . .
C29 C24 P1 C13 -27.6(3) . .
C25 C24 P1 C13 151.0(2) . .
C29 C24 P1 C18 82.6(3) . .
C25 C24 P1 C18 -98.8(2) . .
C29 C24 P1 Ag1 -153.0(2) . .
C25 C24 P1 Ag1 25.7(2) . .
C13 P1 Ag1 S4 -84.97(11) . .
C18 P1 Ag1 S4 152.44(11) . .
C24 P1 Ag1 S4 32.83(9) . .
C13 P1 Ag1 S1 157.30(11) . 2
C18 P1 Ag1 S1 34.71(11) . 2
C24 P1 Ag1 S1 -84.91(9) . 2
C13 P1 Ag1 Sn3 63.01(11) . .
C18 P1 Ag1 Sn3 -59.58(11) . .
C24 P1 Ag1 Sn3 -179.20(9) . .
Sn2 S4 Ag1 P1 116.02(2) . .
Sn3 S4 Ag1 P1 -138.65(2) 2 .
Sn2 S4 Ag1 S1 -139.49(2) . 2
Sn3 S4 Ag1 S1 -34.15(3) 2 2
Sn2 S4 Ag1 Sn3 -37.31(2) . .
Sn3 S4 Ag1 Sn3 68.03(2) 2 .
C4 C1 Sn1 S3 -51.6(2) . .
C2 C1 Sn1 S3 70.4(2) . .
C3 C1 Sn1 S3 -169.71(19) . .
C4 C1 Sn1 S2 94.96(19) . .
C2 C1 Sn1 S2 -143.1(2) . .
C3 C1 Sn1 S2 -23.2(3) . .
C4 C1 Sn1 S1 -167.33(18) . .
C2 C1 Sn1 S1 -45.3(2) . .
C3 C1 Sn1 S1 74.5(2) . .
C4 C1 Sn1 O1 28.62(18) . .
C2 C1 Sn1 O1 150.6(2) . .
C3 C1 Sn1 O1 -89.5(2) . .
Sn3 S3 Sn1 C1 -156.53(9) . .
Sn3 S3 Sn1 S2 52.68(3) . .
Sn3 S3 Sn1 S1 -46.37(3) . .
Sn3 S3 Sn1 O1 132.45(5) . .
Sn2 S2 Sn1 C1 99.35(10) . .
Sn2 S2 Sn1 S3 -112.59(2) . .
Sn2 S2 Sn1 S1 -2.15(2) . .
Sn2 S2 Sn1 O1 162.22(5) . .
Sn2 S1 Sn1 C1 -123.02(8) . .
Ag1 S1 Sn1 C1 118.67(8) 2 .
Sn2 S1 Sn1 S3 115.10(2) . .
Ag1 S1 Sn1 S3 -3.21(3) 2 .
Sn2 S1 Sn1 S2 2.12(2) . .
Ag1 S1 Sn1 S2 -116.19(3) 2 .
Sn2 S1 Sn1 O1 -60.95(18) . .
Ag1 S1 Sn1 O1 -179.26(17) 2 .
C5 O1 Sn1 C1 -16.39(19) . .
C5 O1 Sn1 S3 101.79(19) . .
C5 O1 Sn1 S2 -146.47(19) . .
C5 O1 Sn1 S1 -82.0(3) . .
C10 C7 Sn2 S4 40.6(2) . .
C8 C7 Sn2 S4 -78.4(2) . .
C9 C7 Sn2 S4 160.04(17) . .
C10 C7 Sn2 S2 -103.12(18) . .
C8 C7 Sn2 S2 137.88(18) . .
C9 C7 Sn2 S2 16.3(2) . .
C10 C7 Sn2 S1 153.92(17) . .
C8 C7 Sn2 S1 34.9(2) . .
C9 C7 Sn2 S1 -86.65(19) . .
C10 C7 Sn2 O2 -31.94(17) . .
C8 C7 Sn2 O2 -150.9(2) . .
C9 C7 Sn2 O2 87.50(19) . .
Sn3 S4 Sn2 C7 99.09(8) 2 .
Ag1 S4 Sn2 C7 -167.31(8) . .
Sn3 S4 Sn2 S2 -120.85(3) 2 .
Ag1 S4 Sn2 S2 -27.24(3) . .
Sn3 S4 Sn2 S1 -18.56(3) 2 .
Ag1 S4 Sn2 S1 75.04(3) . .
Sn3 S4 Sn2 O2 167.66(5) 2 .
Ag1 S4 Sn2 O2 -98.73(5) . .
Sn1 S2 Sn2 C7 -111.88(8) . .
Sn1 S2 Sn2 S4 110.54(3) . .
Sn1 S2 Sn2 S1 2.18(2) . .
Sn1 S2 Sn2 O2 -178.74(5) . .
Sn1 S1 Sn2 C7 116.17(8) . .
Ag1 S1 Sn2 C7 -124.37(8) 2 .
Sn1 S1 Sn2 S4 -127.68(2) . .
Ag1 S1 Sn2 S4 -8.22(3) 2 .
Sn1 S1 Sn2 S2 -2.12(2) . .
Ag1 S1 Sn2 S2 117.33(3) 2 .
C11 O2 Sn2 C7 26.26(18) . .
C11 O2 Sn2 S4 -86.71(17) . .
C11 O2 Sn2 S2 146.32(17) . .
Sn1 S3 Sn3 Cl1 -155.77(2) . .
Sn1 S3 Sn3 S4 107.00(2) . 2
Sn1 S3 Sn3 Ag1 -22.47(4) . .
P1 Ag1 Sn3 Cl1 30.51(3) . .
S4 Ag1 Sn3 Cl1 175.13(2) . .
S1 Ag1 Sn3 Cl1 -67.44(2) 2 .
P1 Ag1 Sn3 S3 -97.97(4) . .
S4 Ag1 Sn3 S3 46.64(4) . .
S1 Ag1 Sn3 S3 164.08(3) 2 .
P1 Ag1 Sn3 S4 136.62(3) . 2
S4 Ag1 Sn3 S4 -78.77(2) . 2
S1 Ag1 Sn3 S4 38.67(2) 2 2
C32 C30 Sn4 S5 -157.30(17) . .
C33 C30 Sn4 S5 81.3(2) . .
C31 C30 Sn4 S5 -40.2(2) . .
C32 C30 Sn4 S7 54.8(2) . .
C33 C30 Sn4 S7 -66.5(2) . .
C31 C30 Sn4 S7 171.99(17) . .
C32 C30 Sn4 S6 -57.9(2) . .
C33 C30 Sn4 S6 -179.32(19) . .
C31 C30 Sn4 S6 59.21(19) . .
C32 C30 Sn4 O3 133.3(2) . .
C33 C30 Sn4 O3 11.88(19) . .
C31 C30 Sn4 O3 -109.6(2) . .
Sn5 S5 Sn4 C30 107.03(9) . .
Sn5 S5 Sn4 S7 -110.37(3) . .
Sn5 S5 Sn4 S6 2.16(3) . .
Sn5 S5 Sn4 O3 173.30(6) . .
Sn5 S7 Sn4 C30 -171.95(8) 2_666 .
Sn5 S7 Sn4 S5 42.29(4) 2_666 .
Sn5 S7 Sn4 S6 -62.74(4) 2_666 .
Sn5 S7 Sn4 O3 116.50(6) 2_666 .
Sn5 S6 Sn4 C30 -121.99(8) . .
Sn5 S6 Sn4 S5 -2.22(3) . .
Sn5 S6 Sn4 S7 124.31(3) . .
Sn5 S6 Sn4 O3 -51.9(3) . .
C34 O3 Sn4 C30 -7.9(2) . .
C34 O3 Sn4 S5 -131.2(2) . .
C34 O3 Sn4 S7 103.03(19) . .
C34 O3 Sn4 S6 -80.6(3) . .
C37 C36 Sn5 S6 -33.2(2) . .
C39 C36 Sn5 S6 87.6(2) . .
C38 C36 Sn5 S6 -152.25(18) . .
C37 C36 Sn5 S7 -175.23(19) . 2_666
C39 C36 Sn5 S7 -54.4(2) . 2_666
C38 C36 Sn5 S7 65.7(2) . 2_666
C37 C36 Sn5 S5 69.7(2) . .
C39 C36 Sn5 S5 -169.5(2) . .
C38 C36 Sn5 S5 -49.4(2) . .
Sn4 S6 Sn5 C36 109.16(10) . .
Sn4 S6 Sn5 S7 -111.70(3) . 2_666
Sn4 S6 Sn5 S5 2.16(3) . .
Sn4 S5 Sn5 C36 -132.67(9) . .
Sn4 S5 Sn5 S6 -2.24(3) . .
Sn4 S5 Sn5 S7 115.81(3) . 2_666
