#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:53:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179994 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/88/7028892.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_7028892
loop_
_publ_author_name
'Najafabadi, Bahareh Khalili'
'Corrigan, John F.'
_publ_section_title
;
 N-heterocyclic carbenes as effective ligands for the preparation of
 stabilized copper- and silver-t-butylthiolate clusters.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2104
_journal_page_last               2111
_journal_paper_doi               10.1039/c3dt52558a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C42 H96 Ag6 P2 S6'
_chemical_formula_sum            'C42 H96 Ag6 P2 S6'
_chemical_formula_weight         1502.70
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           52
_space_group_name_Hall           '-P 2a 2bc'
_space_group_name_H-M_alt        'P n n a'
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.641(9)
_cell_length_b                   15.066(5)
_cell_length_c                   16.081(5)
_cell_measurement_reflns_used    9456
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.67
_cell_measurement_theta_min      3.03
_cell_volume                     5970(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material  cif2tables.py
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0927
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            83082
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.712
_diffrn_reflns_theta_min         2.704
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.219
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6102
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SAD-ABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_description       'tetragonal prism'
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.066
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.039
_refine_diff_density_max         0.850
_refine_diff_density_min         -0.750
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5693
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0466P)²+11.7184P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.1056
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3844
_reflns_number_total             5693
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c3dt52558a.txt
_cod_data_source_block           8
_cod_original_cell_volume        5970(4)
_cod_database_code               7028892
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.867
_shelx_estimated_absorpt_t_max   0.918
_shelxl_version_number           2012-9
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z'
'x, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'-x, y-1/2, z-1/2'
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.59455(2) 0.14173(3) 0.16917(3) 0.04655(15) Uani 1 1 d . . . . .
Ag2 Ag 0.60630(2) 0.33611(3) 0.13741(3) 0.04034(14) Uani 1 1 d . . . . .
Ag3 Ag 0.45370(2) 0.35611(3) 0.24088(3) 0.03706(14) Uani 1 1 d . . . . .
S1 S 0.57342(6) 0.04274(9) 0.28238(11) 0.0412(4) Uani 1 1 d . . . . .
S2A S 0.64055(7) 0.21569(12) 0.05488(10) 0.0476(4) Uani 0.834(8) 1 d . . P A 1
C5A C 0.7156(3) 0.2061(5) 0.0630(4) 0.0520(17) Uani 0.834(8) 1 d . . P A 1
C6A C 0.7399(4) 0.2641(7) -0.0013(7) 0.087(4) Uani 0.834(8) 1 d . . P A 1
H6A1 H 0.7303 0.3261 0.0102 0.131 Uiso 0.834(8) 1 calc R U P A 1
H6A2 H 0.7260 0.2472 -0.0561 0.131 Uiso 0.834(8) 1 calc R U P A 1
H6A3 H 0.7795 0.2575 -0.0005 0.131 Uiso 0.834(8) 1 calc R U P A 1
C7A C 0.7296(4) 0.1085(6) 0.0459(6) 0.072(3) Uani 0.834(8) 1 d . . P A 1
H7A1 H 0.7158 0.0914 -0.0090 0.108 Uiso 0.834(8) 1 calc R U P A 1
H7A2 H 0.7130 0.0709 0.0886 0.108 Uiso 0.834(8) 1 calc R U P A 1
H7A3 H 0.7691 0.1007 0.0471 0.108 Uiso 0.834(8) 1 calc R U P A 1
C8A C 0.7333(3) 0.2302(6) 0.1506(6) 0.067(3) Uani 0.834(8) 1 d . . P A 1
H8A1 H 0.7729 0.2261 0.1547 0.100 Uiso 0.834(8) 1 calc R U P A 1
H8A2 H 0.7167 0.1890 0.1903 0.100 Uiso 0.834(8) 1 calc R U P A 1
H8A3 H 0.7217 0.2909 0.1634 0.100 Uiso 0.834(8) 1 calc R U P A 1
S2B S 0.64055(7) 0.21569(12) 0.05488(10) 0.0476(4) Uani 0.166(8) 1 d . U P A 2
C5B C 0.7156(3) 0.2061(5) 0.0630(4) 0.0520(17) Uani 0.166(8) 1 d . U P A 2
C6B C 0.7373(15) 0.181(3) -0.028(2) 0.053(7) Uani 0.166(8) 1 d . U P A 2
H6B1 H 0.7770 0.1850 -0.0285 0.079 Uiso 0.166(8) 1 calc R U P A 2
H6B2 H 0.7219 0.2216 -0.0686 0.079 Uiso 0.166(8) 1 calc R U P A 2
H6B3 H 0.7264 0.1198 -0.0410 0.079 Uiso 0.166(8) 1 calc R U P A 2
C7B C 0.7355(16) 0.147(3) 0.122(3) 0.055(7) Uani 0.166(8) 1 d . U P A 2
H7B1 H 0.7202 0.0881 0.1124 0.082 Uiso 0.166(8) 1 calc R U P A 2
H7B2 H 0.7252 0.1676 0.1779 0.082 Uiso 0.166(8) 1 calc R U P A 2
H7B3 H 0.7752 0.1444 0.1181 0.082 Uiso 0.166(8) 1 calc R U P A 2
C8B C 0.7427(14) 0.306(3) 0.079(3) 0.045(7) Uani 0.166(8) 1 d . U P A 2
H8B1 H 0.7220 0.3368 0.1225 0.068 Uiso 0.166(8) 1 calc R U P A 2
H8B2 H 0.7414 0.3403 0.0276 0.068 Uiso 0.166(8) 1 calc R U P A 2
H8B3 H 0.7805 0.2991 0.0972 0.068 Uiso 0.166(8) 1 calc R U P A 2
S3 S 0.49670(6) 0.23550(9) 0.14643(9) 0.0335(3) Uani 1 1 d . . . . .
P1A P 0.39194(6) 0.47587(10) 0.22102(10) 0.0386(4) Uani 0.708(15) 1 d . . P B 3
C19A C 0.3977(5) 0.5373(12) 0.1255(9) 0.074(4) Uani 0.708(15) 1 d . . P B 3
H19A H 0.4199 0.5868 0.1491 0.089 Uiso 0.708(15) 1 calc R U P B 3
C20A C 0.3560(4) 0.5907(8) 0.0958(7) 0.064(4) Uani 0.708(15) 1 d . . P B 3
H20A H 0.3696 0.6278 0.0503 0.096 Uiso 0.708(15) 1 calc R U P B 3
H20B H 0.3426 0.6287 0.1408 0.096 Uiso 0.708(15) 1 calc R U P B 3
H20C H 0.3263 0.5533 0.0753 0.096 Uiso 0.708(15) 1 calc R U P B 3
C21A C 0.4399(4) 0.5051(5) 0.0659(5) 0.076(2) Uani 0.708(15) 1 d . . P B 3
H21A H 0.4473 0.5514 0.0245 0.114 Uiso 0.708(15) 1 calc R U P B 3
H21B H 0.4268 0.4515 0.0378 0.114 Uiso 0.708(15) 1 calc R U P B 3
H21C H 0.4734 0.4914 0.0963 0.114 Uiso 0.708(15) 1 calc R U P B 3
P1B P 0.39194(6) 0.47587(10) 0.22102(10) 0.0386(4) Uani 0.292(15) 1 d . U P B 4
C19B C 0.3892(13) 0.490(2) 0.0991(19) 0.057(6) Uani 0.292(15) 1 d . U P B 4
H19B H 0.3894 0.4249 0.0872 0.068 Uiso 0.292(15) 1 calc R U P B 4
C20B C 0.3384(10) 0.507(2) 0.0529(15) 0.074(9) Uani 0.292(15) 1 d . U P B 4
H20D H 0.3374 0.5698 0.0357 0.111 Uiso 0.292(15) 1 calc R U P B 4
H20E H 0.3072 0.4946 0.0887 0.111 Uiso 0.292(15) 1 calc R U P B 4
H20F H 0.3370 0.4692 0.0035 0.111 Uiso 0.292(15) 1 calc R U P B 4
C21B C 0.4399(4) 0.5051(5) 0.0659(5) 0.076(2) Uani 0.292(15) 1 d . U P B 4
H21D H 0.4528 0.4512 0.0382 0.114 Uiso 0.292(15) 1 calc R U P B 4
H21E H 0.4652 0.5213 0.1105 0.114 Uiso 0.292(15) 1 calc R U P B 4
H21F H 0.4379 0.5536 0.0254 0.114 Uiso 0.292(15) 1 calc R U P B 4
C1 C 0.6231(2) -0.0504(4) 0.2794(5) 0.0516(19) Uani 1 1 d . . . . .
C2 C 0.6801(3) -0.0179(4) 0.2842(5) 0.067(2) Uani 1 1 d . . . . .
H2A H 0.6860 0.0115 0.3378 0.101 Uiso 1 1 calc R U . . .
H2B H 0.6867 0.0245 0.2390 0.101 Uiso 1 1 calc R U . . .
H2C H 0.7051 -0.0681 0.2788 0.101 Uiso 1 1 calc R U . . .
C3 C 0.6157(3) -0.0967(6) 0.1941(7) 0.097(3) Uani 1 1 d . . . . .
H3A H 0.6423 -0.1446 0.1885 0.146 Uiso 1 1 calc R U . . .
H3B H 0.6210 -0.0534 0.1494 0.146 Uiso 1 1 calc R U . . .
H3C H 0.5790 -0.1214 0.1904 0.146 Uiso 1 1 calc R U . . .
C4 C 0.6089(4) -0.1114(6) 0.3476(7) 0.119(4) Uani 1 1 d . . . . .
H4A H 0.6303 -0.1659 0.3426 0.179 Uiso 1 1 calc R U . . .
H4B H 0.5701 -0.1259 0.3445 0.179 Uiso 1 1 calc R U . . .
H4C H 0.6166 -0.0829 0.4011 0.179 Uiso 1 1 calc R U . . .
C9 C 0.4705(3) 0.2075(4) 0.0411(4) 0.0410(15) Uani 1 1 d . . . . .
C10 C 0.4097(3) 0.2237(5) 0.0384(4) 0.0532(17) Uani 1 1 d . . . . .
H10A H 0.3961 0.2113 -0.0177 0.080 Uiso 1 1 calc R U . . .
H10B H 0.4021 0.2857 0.0527 0.080 Uiso 1 1 calc R U . . .
H10C H 0.3916 0.1845 0.0784 0.080 Uiso 1 1 calc R U . . .
C11 C 0.4831(3) 0.1104(4) 0.0238(4) 0.065(2) Uani 1 1 d . . . . .
H11A H 0.4669 0.0734 0.0674 0.097 Uiso 1 1 calc R U . . .
H11B H 0.5225 0.1017 0.0232 0.097 Uiso 1 1 calc R U . . .
H11C H 0.4679 0.0936 -0.0303 0.097 Uiso 1 1 calc R U . . .
C12 C 0.4990(3) 0.2669(4) -0.0223(4) 0.0458(16) Uani 1 1 d . . . . .
H12A H 0.4844 0.2551 -0.0779 0.069 Uiso 1 1 calc R U . . .
H12B H 0.5380 0.2545 -0.0217 0.069 Uiso 1 1 calc R U . . .
H12C H 0.4929 0.3293 -0.0079 0.069 Uiso 1 1 calc R U . . .
C13 C 0.4000(3) 0.5665(6) 0.2979(8) 0.116(4) Uani 1 1 d . . . . .
H13 H 0.3965 0.5359 0.3528 0.139 Uiso 1 1 calc R U . B 3
C14 C 0.4543(4) 0.6019(7) 0.2987(9) 0.154(6) Uani 1 1 d . . . . .
H14A H 0.4603 0.6372 0.2484 0.230 Uiso 1 1 calc R U . . .
H14B H 0.4805 0.5529 0.3005 0.230 Uiso 1 1 calc R U . . .
H14C H 0.4591 0.6396 0.3479 0.230 Uiso 1 1 calc R U . . .
C15 C 0.3580(4) 0.6378(8) 0.3013(10) 0.177(7) Uani 1 1 d . . . . .
H15A H 0.3665 0.6788 0.3468 0.266 Uiso 1 1 calc R U . . .
H15B H 0.3223 0.6112 0.3108 0.266 Uiso 1 1 calc R U . . .
H15C H 0.3578 0.6703 0.2485 0.266 Uiso 1 1 calc R U . . .
C16 C 0.3200(2) 0.4443(5) 0.2345(4) 0.0501(17) Uani 1 1 d . . . . .
H16 H 0.2969 0.4977 0.2242 0.060 Uiso 1 1 calc R U . B 3
C17 C 0.3091(4) 0.4112(9) 0.3201(7) 0.150(6) Uani 1 1 d . . . . .
H17A H 0.2703 0.3987 0.3261 0.225 Uiso 1 1 calc R U . . .
H17B H 0.3199 0.4563 0.3606 0.225 Uiso 1 1 calc R U . . .
H17C H 0.3299 0.3567 0.3297 0.225 Uiso 1 1 calc R U . . .
C18 C 0.3044(4) 0.3731(6) 0.1730(8) 0.121(4) Uani 1 1 d . . . . .
H18A H 0.3237 0.3180 0.1865 0.182 Uiso 1 1 calc R U . . .
H18B H 0.3142 0.3922 0.1167 0.182 Uiso 1 1 calc R U . . .
H18C H 0.2652 0.3628 0.1758 0.182 Uiso 1 1 calc R 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'
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_1
_geom_angle_site_symmetry_3
S1 Ag1 S2A 162.90(6) . .
S1 Ag1 S3 102.91(5) . .
S2A Ag1 S3 94.08(5) . .
S1 Ag1 Ag2 139.19(4) . .
S2A Ag1 Ag2 51.38(4) . .
S3 Ag1 Ag2 64.49(3) . .
S1 Ag1 Ag2 48.54(4) . 3
S2A Ag1 Ag2 131.08(5) . 3
S3 Ag1 Ag2 98.87(3) . 3
Ag2 Ag1 Ag2 93.221(19) . 3
S1 Ag2 S2A 178.91(6) 3 .
S1 Ag2 Ag1 128.82(5) 3 .
S2A Ag2 Ag1 52.25(5) . .
S1 Ag2 Ag1 49.45(4) 3 3
S2A Ag2 Ag1 131.29(4) . 3
Ag1 Ag2 Ag1 85.750(19) . 3
P1A Ag3 S3 141.48(5) . 3
P1A Ag3 S3 135.48(6) . .
S3 Ag3 S3 82.26(6) 3 .
P1A Ag3 Ag3 140.05(4) . 3
S3 Ag3 Ag3 52.20(3) 3 3
S3 Ag3 Ag3 49.91(4) . 3
C1 S1 Ag2 111.6(2) . 3
C1 S1 Ag1 107.8(2) . .
Ag2 S1 Ag1 82.01(5) 3 .
C5A S2A Ag2 111.7(2) . .
C5A S2A Ag1 112.0(2) . .
Ag2 S2A Ag1 76.38(5) . .
C6A C5A C8A 113.0(8) . .
C6A C5A C7A 110.4(7) . .
C8A C5A C7A 109.3(6) . .
C6A C5A S2A 107.9(5) . .
C8A C5A S2A 109.4(5) . .
C7A C5A S2A 106.6(5) . .
C5A C6A H6A1 109.5 . .
C5A C6A H6A2 109.5 . .
H6A1 C6A H6A2 109.5 . .
C5A C6A H6A3 109.5 . .
H6A1 C6A H6A3 109.5 . .
H6A2 C6A H6A3 109.5 . .
C5A C7A H7A1 109.5 . .
C5A C7A H7A2 109.5 . .
H7A1 C7A H7A2 109.5 . .
C5A C7A H7A3 109.5 . .
H7A1 C7A H7A3 109.5 . .
H7A2 C7A H7A3 109.5 . .
C5A C8A H8A1 109.5 . .
C5A C8A H8A2 109.5 . .
H8A1 C8A H8A2 109.5 . .
C5A C8A H8A3 109.5 . .
H8A1 C8A H8A3 109.5 . .
H8A2 C8A H8A3 109.5 . .
H6B1 C6B H6B2 109.5 . .
H6B1 C6B H6B3 109.5 . .
H6B2 C6B H6B3 109.5 . .
H7B1 C7B H7B2 109.5 . .
H7B1 C7B H7B3 109.5 . .
H7B2 C7B H7B3 109.5 . .
H8B1 C8B H8B2 109.5 . .
H8B1 C8B H8B3 109.5 . .
H8B2 C8B H8B3 109.5 . .
C9 S3 Ag3 112.7(2) . 3
C9 S3 Ag3 123.32(19) . .
Ag3 S3 Ag3 77.89(5) 3 .
C9 S3 Ag1 107.57(19) . .
Ag3 S3 Ag1 89.53(5) 3 .
Ag3 S3 Ag1 128.64(6) . .
C19A P1A C16 107.9(5) . .
C19A P1A C13 100.5(8) . .
C16 P1A C13 102.4(4) . .
C19A P1A Ag3 117.0(4) . .
C16 P1A Ag3 113.7(2) . .
C13 P1A Ag3 113.6(3) . .
C20A C19A C21A 118.8(10) . .
C20A C19A P1A 122.3(8) . .
C21A C19A P1A 115.8(8) . .
C20A C19A H19A 95.9 . .
C21A C19A H19A 95.9 . .
P1A C19A H19A 95.9 . .
C19A C20A H20A 109.5 . .
C19A C20A H20B 109.5 . .
H20A C20A H20B 109.5 . .
C19A C20A H20C 109.5 . .
H20A C20A H20C 109.5 . .
H20B C20A H20C 109.5 . .
C19A C21A H21A 109.5 . .
C19A C21A H21B 109.5 . .
H21A C21A H21B 109.5 . .
C19A C21A H21C 109.5 . .
H21A C21A H21C 109.5 . .
H21B C21A H21C 109.5 . .
C20B C19B H19B 94.8 . .
C19B C20B H20D 109.5 . .
C19B C20B H20E 109.5 . .
H20D C20B H20E 109.5 . .
C19B C20B H20F 109.5 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
C4 C1 C2 113.1(7) . .
C4 C1 C3 110.5(7) . .
C2 C1 C3 107.8(6) . .
C4 C1 S1 107.1(5) . .
C2 C1 S1 111.7(4) . .
C3 C1 S1 106.5(5) . .
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 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C10 C9 C11 110.5(5) . .
C10 C9 C12 110.0(5) . .
C11 C9 C12 110.3(5) . .
C10 C9 S3 109.4(4) . .
C11 C9 S3 108.3(4) . .
C12 C9 S3 108.3(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 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 C15 112.1(9) . .
C14 C13 P1A 112.2(7) . .
C15 C13 P1A 118.8(7) . .
C14 C13 H13 103.9 . .
C15 C13 H13 103.9 . .
P1A C13 H13 103.9 . .
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 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 C18 108.8(9) . .
C17 C16 P1A 111.6(5) . .
C18 C16 P1A 110.5(5) . .
C17 C16 H16 108.6 . .
C18 C16 H16 108.6 . .
P1A C16 H16 108.6 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S1 2.4103(17) .
Ag1 S2A 2.4299(18) .
Ag1 S3 2.8183(17) .
Ag1 Ag2 2.9869(12) .
Ag1 Ag2 3.1416(12) 3
Ag2 S1 2.3774(17) 3
Ag2 S2A 2.4011(18) .
Ag2 Ag1 3.1415(12) 3
Ag3 P1A 2.3819(16) .
Ag3 S3 2.5123(16) 3
Ag3 S3 2.5946(15) .
Ag3 Ag3 3.2108(14) 3
S1 C1 1.864(6) .
S1 Ag2 2.3775(17) 3
S2A C5A 1.860(7) .
C5A C6A 1.480(11) .
C5A C8A 1.518(11) .
C5A C7A 1.537(11) .
C6A H6A1 0.9800 .
C6A H6A2 0.9800 .
C6A H6A3 0.9800 .
C7A H7A1 0.9800 .
C7A H7A2 0.9800 .
C7A H7A3 0.9800 .
C8A H8A1 0.9800 .
C8A H8A2 0.9800 .
C8A H8A3 0.9800 .
C6B H6B1 0.9800 .
C6B H6B2 0.9800 .
C6B H6B3 0.9800 .
C7B H7B1 0.9800 .
C7B H7B2 0.9800 .
C7B H7B3 0.9800 .
C8B H8B1 0.9800 .
C8B H8B2 0.9800 .
C8B H8B3 0.9800 .
S3 C9 1.861(6) .
S3 Ag3 2.5123(16) 3
P1A C19A 1.798(12) .
P1A C16 1.848(6) .
P1A C13 1.852(8) .
C19A C20A 1.390(14) .
C19A C21A 1.496(14) .
C19A H19A 1.0000 .
C20A H20A 0.9800 .
C20A H20B 0.9800 .
C20A H20C 0.9800 .
C21A H21A 0.9800 .
C21A H21B 0.9800 .
C21A H21C 0.9800 .
C19B C20B 1.48(4) .
C19B H19B 1.0000 .
C20B H20D 0.9800 .
C20B H20E 0.9800 .
C20B H20F 0.9800 .
C1 C4 1.473(10) .
C1 C2 1.489(8) .
C1 C3 1.550(11) .
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 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C9 C10 1.518(8) .
C9 C11 1.521(8) .
C9 C12 1.528(8) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.442(12) .
C13 C15 1.491(11) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.488(10) .
C16 C18 1.509(11) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
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
Ag2 S2A C5A C6A -88.0(7) .
Ag1 S2A C5A C6A -171.5(6) .
Ag2 S2A C5A C8A 35.4(6) .
Ag1 S2A C5A C8A -48.2(6) .
Ag2 S2A C5A C7A 153.4(5) .
Ag1 S2A C5A C7A 69.9(5) .
C16 P1A C19A C20A 31.8(16) .
C13 P1A C19A C20A -75.0(15) .
Ag3 P1A C19A C20A 161.5(11) .
C16 P1A C19A C21A -127.8(11) .
C13 P1A C19A C21A 125.4(12) .
Ag3 P1A C19A C21A 1.9(15) .
Ag2 S1 C1 C4 93.1(6) 3
Ag1 S1 C1 C4 -178.6(6) .
Ag2 S1 C1 C2 -31.3(6) 3
Ag1 S1 C1 C2 57.0(6) .
Ag2 S1 C1 C3 -148.7(5) 3
Ag1 S1 C1 C3 -60.4(5) .
Ag3 S3 C9 C10 60.0(4) 3
Ag3 S3 C9 C10 -30.2(5) .
Ag1 S3 C9 C10 157.0(4) .
Ag3 S3 C9 C11 -60.5(5) 3
Ag3 S3 C9 C11 -150.7(4) .
Ag1 S3 C9 C11 36.5(5) .
Ag3 S3 C9 C12 179.8(3) 3
Ag3 S3 C9 C12 89.7(4) .
Ag1 S3 C9 C12 -83.1(4) .
C19A P1A C13 C14 -69.1(11) .
C16 P1A C13 C14 179.7(9) .
Ag3 P1A C13 C14 56.7(11) .
C19A P1A C13 C15 64.4(12) .
C16 P1A C13 C15 -46.8(12) .
Ag3 P1A C13 C15 -169.8(10) .
C19A P1A C16 C17 -167.3(9) .
C13 P1A C16 C17 -61.8(8) .
Ag3 P1A C16 C17 61.2(7) .
C19A P1A C16 C18 71.6(9) .
C13 P1A C16 C18 177.0(7) .
Ag3 P1A C16 C18 -60.0(6) .
