#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:38:26 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179981 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/75/7027535.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027535
loop_
_publ_author_name
'Chojnacki, Jaroslaw'
'Becker, Barbara'
'Konitz, Atoni'
'Potrzebowski, Marek J.'
'Wojnowski, Wieslaw'
_publ_contact_author             'Barbara Becker'
_publ_section_title
;
 Synthesis, X-ray and solid state NMR studies on silver(I)
 silanethiolates. Crystal structure of
 bis[(triphenylphosphine)(tri-o-tolylsilanethiolato)silver(I)]--toluene(1/2),
 [{Ag[SSi(C6H4Me-o)3](PPh3)}2]·2C6H5Me †
;
_journal_issue                   17
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3063
_journal_paper_doi               10.1039/a903694f
_journal_year                    1999
_chemical_formula_sum            'C46 H44 Ag P S Si'
_chemical_formula_weight         795.80
_chemical_name_systematic
; 
 bis{tri-o-tolylsilanethiolato(tri-phenylphosphine)silver(I)}bis(toluene) 
;
_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           'manual editing of form.cif'
_cell_angle_alpha                115.15(3)
_cell_angle_beta                 99.76(3)
_cell_angle_gamma                107.71(3)
_cell_formula_units_Z            2
_cell_length_a                   12.824(3)
_cell_length_b                   13.667(3)
_cell_length_c                   14.524(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      1.65
_cell_volume                     2059.0(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.673
_diffrn_measured_fraction_theta_max 0.673
_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  0.0154
_diffrn_reflns_av_sigmaI/netI    0.0420
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8352
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        27.6
_exptl_absorpt_coefficient_mu    0.638
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.332
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     520
_refine_ls_number_reflns         8063
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0487P)²+0.2120P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0899
_reflns_number_gt                4436
_reflns_number_total             8063
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            903694fsup1.cif
_cod_data_source_block           c090498
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0487P)^2^+0.2120P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0487P)^2^+0.2120P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2059.0(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7027535
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.506221(14) 0.104176(16) 0.628809(14) 0.06237(7) Uani 1 d . . .
S2 S 0.52721(4) -0.08514(5) 0.56344(4) 0.04984(12) Uani 1 d . . .
P3 P 0.50798(5) 0.26986(5) 0.78028(4) 0.04986(13) Uani 1 d . . .
Si4 Si 0.69247(4) -0.04126(5) 0.66474(4) 0.04345(12) Uani 1 d . . .
C5 C 0.67497(19) -0.0590(2) 0.78475(17) 0.0519(5) Uani 1 d . . .
C6 C 0.7646(2) -0.0469(2) 0.86465(19) 0.0699(7) Uani 1 d . . .
C7 C 0.7404(3) -0.0617(3) 0.9489(2) 0.0882(9) Uani 1 d . . .
H7 H 0.8016 -0.0517 1.0050 0.106 Uiso 1 d R . .
C8 C 0.6319(3) -0.0877(3) 0.9564(2) 0.0896(9) Uani 1 d . . .
H8 H 0.6208 -0.0957 1.0170 0.108 Uiso 1 d R . .
C9 C 0.5431(3) -0.1019(2) 0.8787(2) 0.0775(7) Uani 1 d . . .
H9 H 0.4662 -0.1228 0.8828 0.093 Uiso 1 d R . .
C10 C 0.5650(2) -0.0880(2) 0.79382(19) 0.0603(6) Uani 1 d . . .
H10 H 0.5016 -0.1007 0.7378 0.072 Uiso 1 d R . .
C11 C 0.8874(3) -0.0178(4) 0.8628(3) 0.1061(11) Uani 1 d . . .
H11A H 0.9064 0.0365 0.8363 0.127 Uiso 0.61(4) calc PR . .
H11B H 0.8928 -0.0897 0.8161 0.127 Uiso 0.61(4) calc PR . .
H11C H 0.9410 0.0185 0.9349 0.127 Uiso 0.61(4) calc PR . .
H11D H 0.9204 -0.0596 0.8886 0.127 Uiso 0.39(4) calc PR . .
H11E H 0.9340 0.0665 0.9087 0.127 Uiso 0.39(4) calc PR . .
H11F H 0.8858 -0.0416 0.7900 0.127 Uiso 0.39(4) calc PR . .
C12 C 0.79295(17) 0.1202(2) 0.71915(18) 0.0518(5) Uani 1 d . . .
C13 C 0.82583(19) 0.1667(2) 0.6536(2) 0.0641(6) Uani 1 d . . .
C14 C 0.8944(2) 0.2885(3) 0.7017(3) 0.0887(9) Uani 1 d . . .
H14 H 0.9191 0.3202 0.6575 0.106 Uiso 1 d R . .
C15 C 0.9288(3) 0.3640(3) 0.8105(4) 0.1087(12) Uani 1 d . . .
H15 H 0.9739 0.4480 0.8421 0.130 Uiso 1 d R . .
C16 C 0.8978(3) 0.3208(3) 0.8759(3) 0.0969(11) Uani 1 d . . .
H16 H 0.9182 0.3739 0.9521 0.116 Uiso 1 d R . .
C17 C 0.8300(2) 0.2003(2) 0.8300(2) 0.0689(7) Uani 1 d . . .
H17 H 0.8144 0.1701 0.8774 0.083 Uiso 1 d R . .
C18 C 0.7895(2) 0.0913(3) 0.5335(2) 0.0820(8) Uani 1 d . . .
H18A H 0.7058 0.0525 0.5026 0.098 Uiso 0.53(3) calc PR . .
H18B H 0.8201 0.0323 0.5165 0.098 Uiso 0.53(3) calc PR . .
H18C H 0.8190 0.1406 0.5042 0.098 Uiso 0.53(3) calc PR . .
H18D H 0.8575 0.0978 0.5130 0.098 Uiso 0.47(3) calc PR . .
H18E H 0.7432 0.1179 0.4990 0.098 Uiso 0.47(3) calc PR . .
H18F H 0.7443 0.0097 0.5113 0.098 Uiso 0.47(3) calc PR . .
C19 C 0.75925(19) -0.1426(2) 0.59253(17) 0.0544(5) Uani 1 d . . .
C20 C 0.7019(2) -0.2671(2) 0.5372(2) 0.0695(7) Uani 1 d . . .
C21 C 0.7619(4) -0.3336(3) 0.4908(3) 0.1077(11) Uani 1 d . . .
H21 H 0.7204 -0.4188 0.4477 0.129 Uiso 1 d R . .
C22 C 0.8743(4) -0.2808(4) 0.4989(4) 0.1317(14) Uani 1 d . . .
H22 H 0.9119 -0.3308 0.4668 0.158 Uiso 1 d R . .
C23 C 0.9324(3) -0.1598(4) 0.5539(3) 0.1093(11) Uani 1 d . . .
H23 H 1.0130 -0.1272 0.5611 0.131 Uiso 1 d R . .
C24 C 0.8746(2) -0.0916(3) 0.5996(2) 0.0734(7) Uani 1 d . . .
H24 H 0.9160 -0.0066 0.6346 0.088 Uiso 1 d R . .
C25 C 0.5787(3) -0.3313(2) 0.5267(3) 0.0858(9) Uani 1 d . . .
H25A H 0.5594 -0.4149 0.4958 0.103 Uiso 1 d R . .
H25B H 0.5265 -0.3199 0.4805 0.103 Uiso 1 d R . .
H25C H 0.5713 -0.3003 0.5970 0.103 Uiso 1 d R . .
C26 C 0.5571(2) 0.4057(2) 0.77436(18) 0.0600(6) Uani 1 d . . .
C27 C 0.5044(3) 0.4825(2) 0.7985(2) 0.0753(7) Uani 1 d . . .
H27 H 0.4383 0.4666 0.8213 0.090 Uiso 1 d R . .
C28 C 0.5478(4) 0.5847(3) 0.7931(3) 0.1068(12) Uani 1 d . . .
H28 H 0.5068 0.6345 0.8025 0.128 Uiso 1 d R . .
C29 C 0.6421(4) 0.6093(4) 0.7626(3) 0.1279(18) Uani 1 d . . .
H29 H 0.6764 0.6830 0.7637 0.154 Uiso 1 d R . .
C30 C 0.6957(4) 0.5351(4) 0.7391(4) 0.1343(17) Uani 1 d . . .
H30 H 0.7645 0.5579 0.7213 0.161 Uiso 1 d R . .
C31 C 0.6527(3) 0.4308(3) 0.7421(3) 0.0963(10) Uani 1 d . . .
H31 H 0.6883 0.3762 0.7188 0.116 Uiso 1 d R . .
C32 C 0.36662(18) 0.24938(18) 0.79694(17) 0.0495(5) Uani 1 d . . .
C33 C 0.2720(2) 0.2122(2) 0.70825(19) 0.0647(6) Uani 1 d . . .
H33 H 0.2811 0.1891 0.6388 0.078 Uiso 1 d R . .
C34 C 0.1625(2) 0.1940(3) 0.7166(2) 0.0788(8) Uani 1 d . . .
H34 H 0.0990 0.1751 0.6571 0.095 Uiso 1 d R . .
C35 C 0.1465(2) 0.2118(3) 0.8130(2) 0.0783(8) Uani 1 d . . .
H35 H 0.0705 0.1967 0.8190 0.094 Uiso 1 d R . .
C36 C 0.2396(2) 0.2469(2) 0.9000(2) 0.0722(7) Uani 1 d . . .
H36 H 0.2297 0.2629 0.9683 0.087 Uiso 1 d R . .
C37 C 0.3487(2) 0.2662(2) 0.89307(19) 0.0585(6) Uani 1 d . . .
H37 H 0.4123 0.2886 0.9544 0.070 Uiso 1 d R . .
C38 C 0.60304(17) 0.3115(2) 0.91193(17) 0.0496(5) Uani 1 d . . .
C39 C 0.6103(2) 0.2215(2) 0.9287(2) 0.0634(6) Uani 1 d . . .
H39 H 0.5679 0.1403 0.8704 0.076 Uiso 1 d R . .
C40 C 0.6786(2) 0.2479(3) 1.0284(2) 0.0788(7) Uani 1 d . . .
H40 H 0.6844 0.1852 1.0398 0.095 Uiso 1 d R . .
C41 C 0.7392(3) 0.3630(3) 1.1096(2) 0.0884(9) Uani 1 d . . .
H41 H 0.7841 0.3816 1.1795 0.106 Uiso 1 d R . .
C42 C 0.7337(3) 0.4547(3) 1.0939(2) 0.0861(9) Uani 1 d . . .
H42 H 0.7762 0.5358 1.1522 0.103 Uiso 1 d R . .
C43 C 0.6658(2) 0.4282(2) 0.9945(2) 0.0697(7) Uani 1 d . . .
H43 H 0.6651 0.4923 0.9831 0.084 Uiso 1 d R . .
C44 C 0.9053(9) 0.2747(10) 0.2864(10) 0.132(4) Uani 0.564(7) d PDU A 2
C45 C 0.8271(9) 0.1683(10) 0.2663(11) 0.149(5) Uani 0.564(7) d PDU A 2
H45 H 0.8315 0.0956 0.2200 0.178 Uiso 0.564(7) d PR A 2
C46 C 0.7488(10) 0.1513(10) 0.3114(10) 0.158(6) Uani 0.564(7) d PDU A 2
H46 H 0.6926 0.0787 0.3005 0.189 Uiso 0.564(7) d PR A 2
C47 C 0.7470(8) 0.2523(9) 0.3826(8) 0.134(4) Uani 0.564(7) d PDU A 2
H47 H 0.6865 0.2466 0.4136 0.161 Uiso 0.564(7) d PR A 2
C48 C 0.8272(10) 0.3684(10) 0.4130(9) 0.160(5) Uani 0.564(7) d PDU A 2
H48 H 0.8216 0.4358 0.4677 0.192 Uiso 0.564(7) d PR A 2
C49 C 0.8967(14) 0.3752(9) 0.3542(13) 0.177(8) Uani 0.564(7) d PDU A 2
H49 H 0.9443 0.4558 0.3752 0.213 Uiso 0.564(7) d PR A 2
C50 C 0.9895(9) 0.2836(13) 0.2298(11) 0.221(6) Uani 0.564(7) d PDU A 2
H50A H 1.0485 0.2597 0.2499 0.265 Uiso 0.564(7) d PR A 2
H50B H 1.0253 0.3659 0.2499 0.265 Uiso 0.564(7) d PR A 2
H50C H 0.9492 0.2354 0.1528 0.265 Uiso 0.564(7) d PR A 2
C44A C 0.8006(10) 0.2928(11) 0.3666(10) 0.117(4) Uani 0.436(7) d PDU A 3
C45A C 0.7713(14) 0.1755(10) 0.3103(15) 0.167(10) Uani 0.436(7) d PDU A 3
H45A H 0.7143 0.1075 0.3059 0.201 Uiso 0.436(7) d PR A 3
C46A C 0.8235(19) 0.1199(16) 0.2518(16) 0.309(16) Uani 0.436(7) d PDU A 3
H46A H 0.7957 0.0427 0.1886 0.371 Uiso 0.436(7) d PR A 3
C47A C 0.9089(16) 0.1976(19) 0.2405(15) 0.247(14) Uani 0.436(7) d PDU A 3
H47A H 0.9513 0.1591 0.2012 0.297 Uiso 0.436(7) d PR A 3
C48A C 0.9467(17) 0.3263(19) 0.2958(15) 0.223(10) Uani 0.436(7) d PDU A 3
H48A H 1.0114 0.3867 0.2981 0.267 Uiso 0.436(7) d PR A 3
C49A C 0.8992(12) 0.3737(14) 0.3665(16) 0.141(7) Uani 0.436(7) d PDU A 3
H49A H 0.9019 0.4523 0.4020 0.169 Uiso 0.436(7) d PR A 3
C50A C 0.7515(16) 0.3546(15) 0.4460(15) 0.239(11) Uani 0.436(7) d PDU A 3
H50A H 0.7063 0.3061 0.4698 0.287 Uiso 0.436(7) d PR A 3
H50B H 0.7038 0.3824 0.4144 0.287 Uiso 0.436(7) d PR A 3
H50C H 0.8172 0.4217 0.5069 0.287 Uiso 0.436(7) d PR A 3
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'
Si Si 0.0817 0.0704 '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'
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_3
P3 Ag1 S2 145.90(3) .
P3 Ag1 S2 122.12(3) 2_656
S2 Ag1 S2 91.98(4) 2_656
Si4 S2 Ag1 105.34(5) .
Si4 S2 Ag1 121.98(4) 2_656
Ag1 S2 Ag1 88.02(4) 2_656
C26 P3 C32 105.03(11) .
C26 P3 C38 104.18(11) .
C32 P3 C38 103.61(10) .
C26 P3 Ag1 113.06(9) .
C32 P3 Ag1 114.65(8) .
C38 P3 Ag1 115.11(8) .
C19 Si4 C12 110.51(10) .
C19 Si4 C5 107.75(10) .
C12 Si4 C5 107.87(11) .
C19 Si4 S2 111.84(8) .
C12 Si4 S2 110.11(8) .
C5 Si4 S2 108.63(8) .
C10 C5 C6 117.1(2) .
C10 C5 Si4 118.02(16) .
C6 C5 Si4 124.88(17) .
C7 C6 C5 119.3(3) .
C7 C6 C11 118.6(2) .
C5 C6 C11 122.2(2) .
C8 C7 C6 122.0(3) .
C8 C7 H7 118.0 .
C6 C7 H7 119.9 .
C9 C8 C7 119.7(2) .
C9 C8 H8 122.1 .
C7 C8 H8 118.2 .
C8 C9 C10 119.3(3) .
C8 C9 H9 119.6 .
C10 C9 H9 121.1 .
C9 C10 C5 122.6(2) .
C9 C10 H10 119.1 .
C5 C10 H10 118.3 .
C6 C11 H11A 109.5 .
C6 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C6 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C6 C11 H11D 109.5 .
H11A C11 H11D 141.1 .
H11B C11 H11D 56.3 .
H11C C11 H11D 56.3 .
C6 C11 H11E 109.5 .
H11A C11 H11E 56.3 .
H11B C11 H11E 141.1 .
H11C C11 H11E 56.3 .
H11D C11 H11E 109.5 .
C6 C11 H11F 109.5 .
H11A C11 H11F 56.3 .
H11B C11 H11F 56.3 .
H11C C11 H11F 141.1 .
H11D C11 H11F 109.5 .
H11E C11 H11F 109.5 .
C17 C12 C13 117.3(2) .
C17 C12 Si4 118.48(18) .
C13 C12 Si4 124.04(18) .
C14 C13 C12 119.2(3) .
C14 C13 C18 118.0(3) .
C12 C13 C18 122.8(2) .
C15 C14 C13 121.7(3) .
C15 C14 H14 118.9 .
C13 C14 H14 119.4 .
C14 C15 C16 120.2(3) .
C14 C15 H15 120.6 .
C16 C15 H15 119.2 .
C15 C16 C17 119.1(3) .
C15 C16 H16 120.7 .
C17 C16 H16 120.1 .
C16 C17 C12 122.5(3) .
C16 C17 H17 118.2 .
C12 C17 H17 119.0 .
C13 C18 H18A 109.5 .
C13 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C13 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C13 C18 H18D 109.5 .
H18A C18 H18D 141.1 .
H18B C18 H18D 56.3 .
H18C C18 H18D 56.3 .
C13 C18 H18E 109.5 .
H18A C18 H18E 56.3 .
H18B C18 H18E 141.1 .
H18C C18 H18E 56.3 .
H18D C18 H18E 109.5 .
C13 C18 H18F 109.5 .
H18A C18 H18F 56.3 .
H18B C18 H18F 56.3 .
H18C C18 H18F 141.1 .
H18D C18 H18F 109.5 .
H18E C18 H18F 109.5 .
C24 C19 C20 117.7(2) .
C24 C19 Si4 118.53(19) .
C20 C19 Si4 123.61(18) .
C21 C20 C19 118.8(3) .
C21 C20 C25 119.0(3) .
C19 C20 C25 122.2(2) .
C22 C21 C20 121.9(3) .
C22 C21 H21 119.3 .
C20 C21 H21 118.6 .
C21 C22 C23 120.3(3) .
C21 C22 H22 118.5 .
C23 C22 H22 121.2 .
C22 C23 C24 119.0(3) .
C22 C23 H23 116.9 .
C24 C23 H23 124.0 .
C23 C24 C19 122.3(3) .
C23 C24 H24 117.5 .
C19 C24 H24 120.2 .
C20 C25 H25A 109.4 .
C20 C25 H25B 109.6 .
H25A C25 H25B 109.5 .
C20 C25 H25C 109.4 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C27 C26 C31 119.1(3) .
C27 C26 P3 123.9(2) .
C31 C26 P3 117.0(2) .
C26 C27 C28 120.4(3) .
C26 C27 H27 120.1 .
C28 C27 H27 119.5 .
C29 C28 C27 120.2(4) .
C29 C28 H28 118.7 .
C27 C28 H28 120.7 .
C30 C29 C28 120.3(4) .
C30 C29 H29 118.7 .
C28 C29 H29 120.7 .
C29 C30 C31 120.7(4) .
C29 C30 H30 117.6 .
C31 C30 H30 121.7 .
C26 C31 C30 119.2(4) .
C26 C31 H31 121.8 .
C30 C31 H31 119.0 .
C37 C32 C33 118.7(2) .
C37 C32 P3 123.02(17) .
C33 C32 P3 118.29(17) .
C34 C33 C32 120.4(2) .
C34 C33 H33 120.0 .
C32 C33 H33 119.1 .
C35 C34 C33 120.2(3) .
C35 C34 H34 119.7 .
C33 C34 H34 120.0 .
C36 C35 C34 119.4(2) .
C36 C35 H35 119.6 .
C34 C35 H35 120.9 .
C35 C36 C37 121.0(2) .
C35 C36 H36 119.7 .
C37 C36 H36 119.2 .
C36 C37 C32 120.4(2) .
C36 C37 H37 119.7 .
C32 C37 H37 119.9 .
C43 C38 C39 119.3(2) .
C43 C38 P3 122.70(19) .
C39 C38 P3 117.94(18) .
C38 C39 C40 120.4(3) .
C38 C39 H39 119.2 .
C40 C39 H39 120.4 .
C41 C40 C39 119.8(3) .
C41 C40 H40 119.8 .
C39 C40 H40 120.4 .
C40 C41 C42 120.6(3) .
C40 C41 H41 120.1 .
C42 C41 H41 119.3 .
C43 C42 C41 119.6(3) .
C43 C42 H42 120.6 .
C41 C42 H42 119.8 .
C38 C43 C42 120.3(3) .
C38 C43 H43 120.5 .
C42 C43 H43 119.2 .
C49 C44 C45 117.8(10) .
C49 C44 C50 119.2(11) .
C45 C44 C50 122.7(11) .
C46 C45 C44 127.2(10) .
C46 C45 H45 112.3 .
C44 C45 H45 120.1 .
C46 C45 H46A 98.1 .
C44 C45 H46A 134.6 .
H45 C45 H46A 17.3 .
C45 C46 C47 113.5(11) .
C45 C46 H46 130.3 .
C47 C46 H46 116.1 .
C45 C46 H45A 131.7 .
C47 C46 H45A 114.8 .
H46 C46 H45A 1.5 .
C46 C47 C48 124.0(10) .
C46 C47 H47 118.3 .
C48 C47 H47 117.6 .
C46 C47 H50A 145.5 .
C48 C47 H50A 89.0 .
H47 C47 H50A 31.1 .
C49 C48 C47 117.0(11) .
C49 C48 H48 124.6 .
C47 C48 H48 118.0 .
C49 C48 H49A 41.8 .
C47 C48 H49A 157.4 .
H48 C48 H49A 82.8 .
C49 C48 H50C 144.6 .
C47 C48 H50C 95.4 .
H48 C48 H50C 30.7 .
H49A C48 H50C 107.2 .
C48 C49 C44 119.0(12) .
C48 C49 H49 112.8 .
C44 C49 H49 127.4 .
C48 C49 H49A 68.9 .
C44 C49 H49A 171.4 .
H49 C49 H49A 44.2 .
C44 C50 H50A 112.4 .
C44 C50 H50B 106.2 .
H50A C50 H50B 109.5 .
C44 C50 H50C 109.7 .
H50A C50 H50C 109.5 .
H50B C50 H50C 109.5 .
C44 C50 H47A 79.7 .
H50A C50 H47A 62.9 .
H50B C50 H47A 172.1 .
H50C C50 H47A 72.7 .
C44 C50 H48A 73.5 .
H50A C50 H48A 111.4 .
H50B C50 H48A 35.1 .
H50C C50 H48A 133.6 .
H47A C50 H48A 147.6 .
C45A C44A C49A 120.2(14) .
C45A C44A C50A 127.5(14) .
C49A C44A C50A 111.7(14) .
C46A C45A C44A 128.9(17) .
C46A C45A H46 95.5 .
C44A C45A H46 135.4 .
C46A C45A H45A 97.5 .
C44A C45A H45A 133.3 .
H46 C45A H45A 2.2 .
C45A C46A C47A 110.1(18) .
C45A C46A H45 160.5 .
C47A C46A H45 73.7 .
C45A C46A H46A 132.9 .
C47A C46A H46A 107.4 .
H45 C46A H46A 34.8 .
C46A C47A C48A 125.3(16) .
C46A C47A H45 21.1 .
C48A C47A H45 145.6 .
C46A C47A H47A 111.2 .
C48A C47A H47A 122.6 .
H45 C47A H47A 91.7 .
C49A C48A C47A 118.4(17) .
C49A C48A H50B 136.8 .
C47A C48A H50B 104.7 .
C49A C48A H48A 111.2 .
C47A C48A H48A 129.6 .
H50B C48A H48A 28.0 .
C48A C49A C44A 115.7(16) .
C48A C49A H49 89.4 .
C44A C49A H49 150.2 .
C48A C49A H49A 131.3 .
C44A C49A H49A 109.7 .
H49 C49A H49A 42.3 .
C44A C50A H47 79.9 .
C44A C50A H48 86.9 .
H47 C50A H48 165.1 .
C44A C50A H50A 113.9 .
H47 C50A H50A 38.5 .
H48 C50A H50A 147.7 .
C44A C50A H50B 108.7 .
H47 C50A H50B 106.1 .
H48 C50A H50B 84.6 .
H50A C50A H50B 109.5 .
C44A C50A H50C 105.7 .
H47 C50A H50C 139.5 .
H48 C50A H50C 38.7 .
H50A C50A H50C 109.5 .
H50B C50A H50C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 P3 2.3845(12) .
Ag1 S2 2.4680(9) .
Ag1 S2 2.6376(8) 2_656
S2 Si4 2.1060(12) .
S2 Ag1 2.6376(8) 2_656
P3 C26 1.815(2) .
P3 C32 1.822(2) .
P3 C38 1.824(2) .
Si4 C19 1.883(2) .
Si4 C12 1.896(2) .
Si4 C5 1.899(2) .
C5 C10 1.389(3) .
C5 C6 1.401(3) .
C6 C7 1.391(4) .
C6 C11 1.510(4) .
C7 C8 1.364(5) .
C7 H7 0.9599 .
C8 C9 1.360(4) .
C8 H8 0.9601 .
C9 C10 1.386(3) .
C9 H9 0.9599 .
C10 H10 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C11 H11D 0.9600 .
C11 H11E 0.9600 .
C11 H11F 0.9600 .
C12 C17 1.394(3) .
C12 C13 1.406(3) .
C13 C14 1.395(4) .
C13 C18 1.491(4) .
C14 C15 1.362(5) .
C14 H14 0.9601 .
C15 C16 1.367(5) .
C15 H15 0.9600 .
C16 C17 1.383(4) .
C16 H16 0.9599 .
C17 H17 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C18 H18D 0.9600 .
C18 H18E 0.9600 .
C18 H18F 0.9600 .
C19 C24 1.395(3) .
C19 C20 1.398(3) .
C20 C21 1.397(4) .
C20 C25 1.501(4) .
C21 C22 1.360(6) .
C21 H21 0.9600 .
C22 C23 1.362(6) .
C22 H22 0.9599 .
C23 C24 1.384(4) .
C23 H23 0.9599 .
C24 H24 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9601 .
C25 H25C 0.9600 .
C26 C27 1.371(4) .
C26 C31 1.385(4) .
C27 C28 1.379(4) .
C27 H27 0.9599 .
C28 C29 1.353(6) .
C28 H28 0.9599 .
C29 C30 1.352(6) .
C29 H29 0.9598 .
C30 C31 1.386(5) .
C30 H30 0.9601 .
C31 H31 0.9600 .
C32 C37 1.387(3) .
C32 C33 1.388(3) .
C33 C34 1.385(4) .
C33 H33 0.9599 .
C34 C35 1.378(4) .
C34 H34 0.9600 .
C35 C36 1.371(4) .
C35 H35 0.9600 .
C36 C37 1.373(3) .
C36 H36 0.9601 .
C37 H37 0.9600 .
C38 C43 1.377(3) .
C38 C39 1.379(3) .
C39 C40 1.389(4) .
C39 H39 0.9600 .
C40 C41 1.356(4) .
C40 H40 0.9599 .
C41 C42 1.385(4) .
C41 H41 0.9600 .
C42 C43 1.383(4) .
C42 H42 0.9598 .
C43 H43 0.9600 .
C44 C49 1.359(12) .
C44 C45 1.362(12) .
C44 C50 1.472(14) .
C45 C46 1.305(11) .
C45 H45 0.9600 .
C45 H46A 1.4704 .
C46 C47 1.338(13) .
C46 H46 0.9601 .
C46 H45A 0.5886 .
C47 C48 1.424(12) .
C47 H47 0.9602 .
C47 H50A 1.4423 .
C48 C49 1.344(15) .
C48 H48 0.9600 .
C48 H49A 1.3405 .
C48 H50C 1.2959 .
C49 H49 0.9600 .
C49 H49A 0.9581 .
C50 H50A 0.9599 .
C50 H50B 0.9599 .
C50 H50C 0.9600 .
C50 H47A 1.4600 .
C50 H48A 1.2349 .
C44A C45A 1.340(14) .
C44A C49A 1.404(15) .
C44A C50A 1.479(17) .
C45A C46A 1.303(16) .
C45A H46 1.3295 .
C45A H45A 0.9600 .
C46A C47A 1.36(2) .
C46A H45 0.4912 .
C46A H46A 0.9599 .
C47A C48A 1.46(2) .
C47A H45 1.3121 .
C47A H47A 0.9600 .
C48A C49A 1.32(2) .
C48A H50B 1.3988 .
C48A H48A 0.9601 .
C49A H49 1.0333 .
C49A H49A 0.9600 .
C50A H47 1.2745 .
C50A H48 1.0668 .
C50A H50A 0.9599 .
C50A H50B 0.9600 .
C50A H50C 0.9600 .
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
P3 Ag1 S2 Si4 -56.32(5) . .
S2 Ag1 S2 Si4 122.69(4) 2_656 .
P3 Ag1 S2 Ag1 -179.01(3) . 2_656
S2 Ag1 S2 Ag1 0.0 2_656 2_656
S2 Ag1 P3 C26 149.79(9) . .
S2 Ag1 P3 C26 -29.04(9) 2_656 .
S2 Ag1 P3 C32 -89.85(9) . .
S2 Ag1 P3 C32 91.33(8) 2_656 .
S2 Ag1 P3 C38 30.22(9) . .
S2 Ag1 P3 C38 -148.61(8) 2_656 .
Ag1 S2 Si4 C19 -150.36(8) . .
Ag1 S2 Si4 C19 -52.94(9) 2_656 .
Ag1 S2 Si4 C12 -27.08(8) . .
Ag1 S2 Si4 C12 70.34(9) 2_656 .
Ag1 S2 Si4 C5 90.84(8) . .
Ag1 S2 Si4 C5 -171.74(8) 2_656 .
C19 Si4 C5 C10 -125.69(19) . .
C12 Si4 C5 C10 114.99(19) . .
S2 Si4 C5 C10 -4.3(2) . .
C19 Si4 C5 C6 53.3(2) . .
C12 Si4 C5 C6 -66.0(2) . .
S2 Si4 C5 C6 174.6(2) . .
C10 C5 C6 C7 -1.3(4) . .
Si4 C5 C6 C7 179.8(2) . .
C10 C5 C6 C11 178.9(3) . .
Si4 C5 C6 C11 -0.1(4) . .
C5 C6 C7 C8 -0.1(5) . .
C11 C6 C7 C8 179.8(3) . .
C6 C7 C8 C9 1.2(5) . .
C7 C8 C9 C10 -1.0(5) . .
C8 C9 C10 C5 -0.4(4) . .
C6 C5 C10 C9 1.5(4) . .
Si4 C5 C10 C9 -179.4(2) . .
C19 Si4 C12 C17 -122.46(18) . .
C5 Si4 C12 C17 -4.9(2) . .
S2 Si4 C12 C17 113.49(18) . .
C19 Si4 C12 C13 62.6(2) . .
C5 Si4 C12 C13 -179.85(19) . .
S2 Si4 C12 C13 -61.5(2) . .
C17 C12 C13 C14 1.0(3) . .
Si4 C12 C13 C14 175.97(19) . .
C17 C12 C13 C18 -178.3(2) . .
Si4 C12 C13 C18 -3.3(3) . .
C12 C13 C14 C15 -1.0(4) . .
C18 C13 C14 C15 178.4(3) . .
C13 C14 C15 C16 0.9(5) . .
C14 C15 C16 C17 -0.9(5) . .
C15 C16 C17 C12 0.9(5) . .
C13 C12 C17 C16 -1.0(4) . .
Si4 C12 C17 C16 -176.3(2) . .
C12 Si4 C19 C24 8.7(2) . .
C5 Si4 C19 C24 -108.92(19) . .
S2 Si4 C19 C24 131.76(17) . .
C12 Si4 C19 C20 -175.23(18) . .
C5 Si4 C19 C20 67.1(2) . .
S2 Si4 C19 C20 -52.2(2) . .
C24 C19 C20 C21 -0.9(3) . .
Si4 C19 C20 C21 -177.0(2) . .
C24 C19 C20 C25 178.7(2) . .
Si4 C19 C20 C25 2.6(3) . .
C19 C20 C21 C22 0.6(5) . .
C25 C20 C21 C22 -179.0(3) . .
C20 C21 C22 C23 0.5(6) . .
C21 C22 C23 C24 -1.2(6) . .
C22 C23 C24 C19 0.9(5) . .
C20 C19 C24 C23 0.2(4) . .
Si4 C19 C24 C23 176.5(2) . .
C32 P3 C26 C27 10.7(2) . .
C38 P3 C26 C27 -97.9(2) . .
Ag1 P3 C26 C27 136.4(2) . .
C32 P3 C26 C31 -168.5(2) . .
C38 P3 C26 C31 82.9(2) . .
Ag1 P3 C26 C31 -42.8(2) . .
C31 C26 C27 C28 -1.5(4) . .
P3 C26 C27 C28 179.3(2) . .
C26 C27 C28 C29 0.8(5) . .
C27 C28 C29 C30 -1.2(6) . .
C28 C29 C30 C31 2.3(7) . .
C27 C26 C31 C30 2.6(5) . .
P3 C26 C31 C30 -178.2(3) . .
C29 C30 C31 C26 -3.0(6) . .
C26 P3 C32 C37 -108.4(2) . .
C38 P3 C32 C37 0.6(2) . .
Ag1 P3 C32 C37 126.91(18) . .
C26 P3 C32 C33 73.4(2) . .
C38 P3 C32 C33 -177.60(19) . .
Ag1 P3 C32 C33 -51.3(2) . .
C37 C32 C33 C34 0.9(4) . .
P3 C32 C33 C34 179.2(2) . .
C32 C33 C34 C35 -0.5(4) . .
C33 C34 C35 C36 -0.4(5) . .
C34 C35 C36 C37 0.9(5) . .
C35 C36 C37 C32 -0.5(4) . .
C33 C32 C37 C36 -0.4(4) . .
P3 C32 C37 C36 -178.6(2) . .
C26 P3 C38 C43 18.7(2) . .
C32 P3 C38 C43 -91.0(2) . .
Ag1 P3 C38 C43 143.04(18) . .
C26 P3 C38 C39 -162.11(18) . .
C32 P3 C38 C39 88.24(19) . .
Ag1 P3 C38 C39 -37.73(19) . .
C43 C38 C39 C40 1.2(3) . .
P3 C38 C39 C40 -178.02(18) . .
C38 C39 C40 C41 -0.6(4) . .
C39 C40 C41 C42 0.0(4) . .
C40 C41 C42 C43 -0.1(5) . .
C39 C38 C43 C42 -1.3(4) . .
P3 C38 C43 C42 177.9(2) . .
C41 C42 C43 C38 0.7(5) . .
C49 C44 C45 C46 -6(2) . .
C50 C44 C45 C46 -179.4(15) . .
C44 C45 C46 C47 2(2) . .
C45 C46 C47 C48 -4(2) . .
C46 C47 C48 C49 10(2) . .
C47 C48 C49 C44 -14(2) . .
C45 C44 C49 C48 12(2) . .
C50 C44 C49 C48 -174.2(15) . .
C49A C44A C45A C46A 1(3) . .
C50A C44A C45A C46A -169(2) . .
C44A C45A C46A C47A -9(4) . .
C45A C46A C47A C48A 7(4) . .
C46A C47A C48A C49A 3(4) . .
C47A C48A C49A C44A -12(3) . .
C45A C44A C49A C48A 10(3) . .
C50A C44A C49A C48A -178.2(17) . .
