#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:22:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179787 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/83/7008314.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_7008314
loop_
_publ_author_name
'Shafaei-Fallah, Maryam'
'Anson, Christopher E.'
'Fenske, Dieter'
'Rothenberger, Alexander'
_publ_section_title
;
 Functionalised trimethylsilyl reagents in cluster synthesis: reactions
 of Ph2P(S)SSiMe3 with group 11 salts.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2300
_journal_page_last               2304
_journal_paper_doi               10.1039/b501360g
_journal_year                    2005
_chemical_formula_sum            'C104 H106 Ag4 F3 O6 P7 S6'
_chemical_formula_weight         2349.52
_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                99.433(3)
_cell_angle_beta                 92.912(3)
_cell_angle_gamma                108.337(3)
_cell_formula_units_Z            2
_cell_length_a                   13.0485(4)
_cell_length_b                   18.3371(7)
_cell_length_c                   24.3232(9)
_cell_measurement_temperature    150(2)
_cell_volume                     5417.0(4)
_computing_cell_refinement       'CRYSALIS 1.168 (Stoe u. Cie, 2001)'
_computing_data_collection       'CRYSALIS 1.168 (Stoe u. Cie, 2001)'
_computing_data_reduction        'CRYSALIS 1.168 (Stoe u. Cie, 2001)'
_computing_molecular_graphics    'XP: SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'XCIF: SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_structure_refinement  'XL: SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_structure_solution    'XS: SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Stoe K4MCCD/SAPPHIRE'
_diffrn_measurement_method       '4-circle CCD detector'
_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  0.0817
_diffrn_reflns_av_sigmaI/netI    0.0867
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            44828
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.18
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2388
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.468
_refine_diff_density_min         -1.062
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     956
_refine_ls_number_reflns         24445
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0962
_refine_ls_R_factor_gt           0.0650
_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)+(0.1145P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1710
_refine_ls_wR_factor_ref         0.1892
_reflns_number_gt                16039
_reflns_number_total             24445
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b501360g.txt
_cod_data_source_block           3
_cod_original_cell_volume        5417.0(3)
_cod_database_code               7008314
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.29752(3) 0.55982(3) 0.169150(17) 0.04801(11) Uani 1 1 d . A .
Ag2 Ag -0.08465(3) 0.70650(3) 0.23847(2) 0.05401(12) Uani 1 1 d . A .
Ag3 Ag -0.17368(3) 0.80384(3) 0.329060(17) 0.04874(11) Uani 1 1 d . A .
Ag4 Ag -0.38727(3) 0.59063(3) 0.288753(18) 0.05036(11) Uani 1 1 d . A .
S1 S -0.22042(11) 0.69446(9) 0.14798(6) 0.0477(3) Uani 1 1 d . A .
S2 S -0.34238(10) 0.74570(9) 0.26327(5) 0.0458(3) Uani 1 1 d . A .
P1 P -0.29656(11) 0.76524(9) 0.18775(6) 0.0434(3) Uani 1 1 d . . .
S3 S -0.10472(10) 0.54354(8) 0.19438(5) 0.0451(3) Uani 1 1 d . A .
S4 S -0.18410(11) 0.62639(9) 0.31173(6) 0.0480(3) Uani 1 1 d . A .
P2 P -0.13438(10) 0.53835(8) 0.27390(5) 0.0420(3) Uani 1 1 d . . .
S5 S -0.20250(15) 0.78918(12) 0.42988(6) 0.0648(4) Uani 1 1 d . A .
S6 S -0.45674(12) 0.66714(10) 0.37047(6) 0.0505(3) Uani 1 1 d . A .
P3 P -0.34154(13) 0.70688(10) 0.43588(6) 0.0514(3) Uani 1 1 d . . .
P4 P -0.44346(10) 0.43964(8) 0.13524(5) 0.0432(3) Uani 1 1 d . . .
P5 P -0.54066(11) 0.47642(10) 0.24466(6) 0.0489(3) Uani 1 1 d . . .
P6 P 0.08203(11) 0.81141(9) 0.23849(6) 0.0479(3) Uani 1 1 d . . .
P7 P 0.00949(11) 0.89590(9) 0.33857(6) 0.0482(3) Uani 1 1 d . . .
C1 C -0.4171(3) 0.7593(3) 0.14387(13) 0.0465(12) Uani 1 1 d G A .
C2 C -0.4966(3) 0.7852(3) 0.16826(11) 0.071(2) Uani 1 1 d G . .
H2A H -0.4904 0.8016 0.2078 0.085 Uiso 1 1 calc R A .
C3 C -0.5850(3) 0.7870(3) 0.13485(16) 0.078(2) Uani 1 1 d G A .
H3A H -0.6393 0.8047 0.1515 0.093 Uiso 1 1 calc R . .
C4 C -0.5941(3) 0.7629(3) 0.07706(16) 0.0681(18) Uani 1 1 d G . .
H4A H -0.6546 0.7641 0.0542 0.082 Uiso 1 1 calc R A .
C5 C -0.5146(4) 0.7370(3) 0.05266(11) 0.0678(18) Uani 1 1 d G A .
H5A H -0.5208 0.7206 0.0132 0.081 Uiso 1 1 calc R . .
C6 C -0.4261(3) 0.7352(3) 0.08607(14) 0.0575(15) Uani 1 1 d G . .
H6A H -0.3718 0.7175 0.0694 0.069 Uiso 1 1 calc R A .
C7 C -0.2075(3) 0.86510(18) 0.19249(17) 0.0535(14) Uani 1 1 d G A 1
C8 C -0.2139(4) 0.9237(3) 0.23501(17) 0.0675(18) Uani 1 1 d G A 1
H8 H -0.2636 0.9112 0.2620 0.081 Uiso 1 1 calc R A 1
C9 C -0.1475(5) 1.0005(2) 0.2381(2) 0.089(3) Uani 1 1 d G A 1
H9 H -0.1519 1.0406 0.2671 0.106 Uiso 1 1 calc R A 1
C10 C -0.0748(4) 1.0188(2) 0.1986(3) 0.094(3) Uani 1 1 d G A 1
H10 H -0.0294 1.0713 0.2007 0.112 Uiso 1 1 calc R A 1
C11 C -0.0684(3) 0.9602(3) 0.1561(2) 0.089(3) Uani 1 1 d G A 1
H11 H -0.0186 0.9727 0.1291 0.107 Uiso 1 1 calc R A 1
C12 C -0.1347(3) 0.8834(3) 0.15304(17) 0.0681(19) Uani 1 1 d G A 1
H12 H -0.1303 0.8433 0.1240 0.082 Uiso 1 1 calc R A 1
C13 C -0.0111(2) 0.5433(2) 0.31496(13) 0.0434(11) Uani 1 1 d G B 1
C14 C 0.0621(3) 0.5117(3) 0.28906(12) 0.0577(15) Uani 1 1 d G B 1
H14A H 0.0489 0.4901 0.2501 0.069 Uiso 1 1 calc R B 1
C15 C 0.1544(3) 0.5116(3) 0.32019(16) 0.0672(18) Uani 1 1 d G B 1
H15A H 0.2043 0.4900 0.3025 0.081 Uiso 1 1 calc R B 1
C16 C 0.1736(3) 0.5432(3) 0.37722(16) 0.0612(16) Uani 1 1 d G B 1
H16A H 0.2367 0.5432 0.3985 0.073 Uiso 1 1 calc R B 1
C17 C 0.1004(3) 0.5748(3) 0.40312(12) 0.0595(15) Uani 1 1 d G B 1
H17A H 0.1136 0.5964 0.4421 0.071 Uiso 1 1 calc R B 1
C18 C 0.0081(3) 0.5748(2) 0.37199(14) 0.0567(14) Uani 1 1 d G B 1
H18A H -0.0418 0.5964 0.3897 0.068 Uiso 1 1 calc R B 1
C19 C -0.2338(3) 0.44497(18) 0.27848(14) 0.0463(12) Uani 1 1 d G B 1
C20 C -0.2451(3) 0.3787(2) 0.23843(13) 0.0558(14) Uani 1 1 d G B 1
H20A H -0.2023 0.3824 0.2079 0.067 Uiso 1 1 calc R B 1
C21 C -0.3191(3) 0.30702(18) 0.24305(15) 0.0657(18) Uani 1 1 d G B 1
H21A H -0.3268 0.2617 0.2157 0.079 Uiso 1 1 calc R B 1
C22 C -0.3817(3) 0.3016(2) 0.28771(18) 0.0677(19) Uani 1 1 d G B 1
H22A H -0.4322 0.2527 0.2909 0.081 Uiso 1 1 calc R B 1
C23 C -0.3703(3) 0.3679(3) 0.32777(15) 0.0658(18) Uani 1 1 d G B 1
H23A H -0.4131 0.3642 0.3583 0.079 Uiso 1 1 calc R B 1
C24 C -0.2964(3) 0.4396(2) 0.32315(13) 0.0549(14) Uani 1 1 d G B 1
H24A H -0.2886 0.4849 0.3505 0.066 Uiso 1 1 calc R B 1
C25 C -0.3107(3) 0.6221(2) 0.45511(17) 0.0603(17) Uani 1 1 d G C 1
C26 C -0.3953(3) 0.5522(3) 0.45147(18) 0.0630(17) Uani 1 1 d G C 1
H26A H -0.4677 0.5493 0.4408 0.076 Uiso 1 1 calc R C 1
C27 C -0.3738(4) 0.4865(2) 0.46346(19) 0.078(2) Uani 1 1 d G C 1
H27A H -0.4316 0.4387 0.4610 0.094 Uiso 1 1 calc R C 1
C28 C -0.2678(4) 0.4908(3) 0.4791(2) 0.083(3) Uani 1 1 d G C 1
H28A H -0.2531 0.4459 0.4873 0.100 Uiso 1 1 calc R C 1
C29 C -0.1833(3) 0.5608(3) 0.4827(2) 0.082(3) Uani 1 1 d G C 1
H29A H -0.1108 0.5637 0.4934 0.099 Uiso 1 1 calc R C 1
C30 C -0.2047(3) 0.6264(3) 0.47074(18) 0.0699(19) Uani 1 1 d G C 1
H30A H -0.1470 0.6742 0.4732 0.084 Uiso 1 1 calc R C 1
C31 C -0.4022(3) 0.7436(3) 0.49611(14) 0.0577(15) Uani 1 1 d G C 1
C32 C -0.3382(3) 0.8036(3) 0.53849(17) 0.0665(17) Uani 1 1 d G C 1
H32A H -0.2627 0.8262 0.5361 0.080 Uiso 1 1 calc R C 1
C33 C -0.3846(4) 0.8304(3) 0.58441(15) 0.077(2) Uani 1 1 d G C 1
H33A H -0.3408 0.8713 0.6134 0.092 Uiso 1 1 calc R C 1
C34 C -0.4950(4) 0.7972(3) 0.58796(16) 0.083(2) Uani 1 1 d G C 1
H34A H -0.5267 0.8155 0.6193 0.100 Uiso 1 1 calc R C 1
C35 C -0.5590(3) 0.7373(3) 0.5456(2) 0.074(2) Uani 1 1 d G C 1
H35A H -0.6345 0.7146 0.5480 0.089 Uiso 1 1 calc R C 1
C36 C -0.5126(3) 0.7105(2) 0.49966(16) 0.0665(17) Uani 1 1 d G C 1
H36A H -0.5564 0.6695 0.4707 0.080 Uiso 1 1 calc R C 1
C37 C -0.5458(3) 0.4437(2) 0.08267(14) 0.0486(13) Uani 1 1 d G D 1
C38 C -0.5444(3) 0.51683(18) 0.07338(16) 0.0586(16) Uani 1 1 d G D 1
H38A H -0.4911 0.5628 0.0939 0.070 Uiso 1 1 calc R D 1
C39 C -0.6210(4) 0.5227(2) 0.03399(19) 0.075(2) Uani 1 1 d G D 1
H39A H -0.6201 0.5726 0.0276 0.089 Uiso 1 1 calc R D 1
C40 C -0.6991(3) 0.4554(3) 0.00390(17) 0.072(2) Uani 1 1 d G D 1
H40A H -0.7514 0.4594 -0.0230 0.086 Uiso 1 1 calc R D 1
C41 C -0.7005(3) 0.3823(2) 0.01320(17) 0.0652(17) Uani 1 1 d G D 1
H41A H -0.7538 0.3363 -0.0074 0.078 Uiso 1 1 calc R D 1
C42 C -0.6238(3) 0.37647(18) 0.05258(17) 0.0562(14) Uani 1 1 d G D 1
H42A H -0.6248 0.3265 0.0589 0.067 Uiso 1 1 calc R D 1
C43 C -0.4011(3) 0.35620(19) 0.10636(15) 0.0478(12) Uani 1 1 d G D 1
C44 C -0.3009(3) 0.37146(18) 0.08538(16) 0.0503(13) Uani 1 1 d G D 1
H44A H -0.2586 0.4237 0.0841 0.060 Uiso 1 1 calc R D 1
C45 C -0.2625(3) 0.3103(3) 0.06627(17) 0.0655(17) Uani 1 1 d G D 1
H45A H -0.1941 0.3207 0.0519 0.079 Uiso 1 1 calc R D 1
C46 C -0.3244(4) 0.2338(2) 0.06816(18) 0.0714(19) Uani 1 1 d G D 1
H46A H -0.2981 0.1920 0.0551 0.086 Uiso 1 1 calc R D 1
C47 C -0.4245(4) 0.21853(17) 0.08914(17) 0.070(2) Uani 1 1 d G D 1
H47A H -0.4668 0.1663 0.0904 0.084 Uiso 1 1 calc R D 1
C48 C -0.4629(3) 0.2797(2) 0.10824(16) 0.0582(15) Uani 1 1 d G D 1
H48A H -0.5314 0.2693 0.1226 0.070 Uiso 1 1 calc R D 1
C49 C -0.5197(4) 0.4018(4) 0.1912(2) 0.0495(13) Uani 1 1 d . D 1
H49A H -0.5915 0.3646 0.1742 0.059 Uiso 1 1 calc R D 1
H49B H -0.4807 0.3723 0.2095 0.059 Uiso 1 1 calc R D 1
C50 C -0.6454(3) 0.5063(3) 0.21119(19) 0.0583(16) Uani 1 1 d G D 1
C51 C -0.7382(3) 0.4512(3) 0.1807(2) 0.078(2) Uani 1 1 d G D 1
H51A H -0.7475 0.3970 0.1766 0.094 Uiso 1 1 calc R D 1
C52 C -0.8175(3) 0.4754(3) 0.1562(2) 0.098(3) Uani 1 1 d G D 1
H52A H -0.8809 0.4377 0.1353 0.118 Uiso 1 1 calc R D 1
C53 C -0.8038(4) 0.5547(4) 0.1622(3) 0.113(4) Uani 1 1 d G D 1
H53A H -0.8580 0.5712 0.1455 0.136 Uiso 1 1 calc R D 1
C54 C -0.7110(4) 0.6098(3) 0.1927(3) 0.096(3) Uani 1 1 d G D 1
H54A H -0.7017 0.6640 0.1968 0.115 Uiso 1 1 calc R D 1
C55 C -0.6318(3) 0.5856(3) 0.2172(2) 0.075(2) Uani 1 1 d G D 1
H55A H -0.5683 0.6233 0.2381 0.090 Uiso 1 1 calc R D 1
C56 C -0.6091(3) 0.4149(2) 0.29388(14) 0.0541(15) Uani 1 1 d G D 1
C57 C -0.6455(4) 0.3336(2) 0.28153(14) 0.073(2) Uani 1 1 d G D 1
H57A H -0.6389 0.3070 0.2456 0.088 Uiso 1 1 calc R D 1
C58 C -0.6915(4) 0.2913(2) 0.32169(19) 0.077(2) Uani 1 1 d G D 1
H58A H -0.7164 0.2357 0.3132 0.093 Uiso 1 1 calc R D 1
C59 C -0.7012(4) 0.3303(3) 0.37419(17) 0.073(2) Uani 1 1 d G D 1
H59A H -0.7327 0.3014 0.4016 0.088 Uiso 1 1 calc R D 1
C60 C -0.6649(4) 0.4116(3) 0.38654(13) 0.0697(19) Uani 1 1 d G D 1
H60A H -0.6715 0.4382 0.4224 0.084 Uiso 1 1 calc R D 1
C61 C -0.6188(4) 0.4539(2) 0.34639(16) 0.0611(16) Uani 1 1 d G D 1
H61A H -0.5940 0.5095 0.3548 0.073 Uiso 1 1 calc R D 1
C62 C 0.1133(4) 0.8270(2) 0.16818(14) 0.0530(13) Uani 1 1 d G E 1
C63 C 0.1632(4) 0.9009(2) 0.15634(17) 0.0678(18) Uani 1 1 d G E 1
H63A H 0.1810 0.9459 0.1853 0.081 Uiso 1 1 calc R E 1
C64 C 0.1870(4) 0.9089(3) 0.1021(2) 0.082(2) Uani 1 1 d G E 1
H64A H 0.2211 0.9594 0.0940 0.099 Uiso 1 1 calc R E 1
C65 C 0.1609(5) 0.8431(4) 0.05979(14) 0.085(2) Uani 1 1 d G E 1
H65A H 0.1772 0.8486 0.0227 0.102 Uiso 1 1 calc R E 1
C66 C 0.1110(5) 0.7692(3) 0.07163(17) 0.098(3) Uani 1 1 d G E 1
H66A H 0.0932 0.7243 0.0427 0.117 Uiso 1 1 calc R E 1
C67 C 0.0873(4) 0.7612(2) 0.12582(19) 0.074(2) Uani 1 1 d G E 1
H67A H 0.0532 0.7108 0.1339 0.089 Uiso 1 1 calc R E 1
C68 C 0.2071(2) 0.8039(2) 0.27009(18) 0.0484(12) Uani 1 1 d G E 1
C69 C 0.2029(3) 0.7403(2) 0.2951(2) 0.0645(17) Uani 1 1 d G E 1
H69A H 0.1352 0.7010 0.2956 0.077 Uiso 1 1 calc R E 1
C70 C 0.2978(3) 0.7342(2) 0.3195(2) 0.077(2) Uani 1 1 d G E 1
H70A H 0.2950 0.6907 0.3366 0.093 Uiso 1 1 calc R E 1
C71 C 0.3968(3) 0.7917(3) 0.3188(2) 0.0657(17) Uani 1 1 d G E 1
H71A H 0.4617 0.7875 0.3355 0.079 Uiso 1 1 calc R E 1
C72 C 0.4010(2) 0.8553(2) 0.2938(2) 0.0635(17) Uani 1 1 d G E 1
H72A H 0.4687 0.8946 0.2933 0.076 Uiso 1 1 calc R E 1
C73 C 0.3061(3) 0.8614(2) 0.26941(19) 0.0603(16) Uani 1 1 d G E 1
H73A H 0.3089 0.9049 0.2523 0.072 Uiso 1 1 calc R E 1
C74 C 0.0780(4) 0.9066(3) 0.2747(2) 0.0463(12) Uani 1 1 d . E 1
H74A H 0.0388 0.9284 0.2493 0.056 Uiso 1 1 calc R E 1
H74B H 0.1530 0.9435 0.2847 0.056 Uiso 1 1 calc R E 1
C75 C 0.1048(3) 0.8736(2) 0.38577(17) 0.0524(13) Uani 1 1 d G E 1
C76 C 0.0708(3) 0.8041(2) 0.4060(2) 0.0620(16) Uani 1 1 d G E 1
H76 H -0.0011 0.7689 0.3953 0.074 Uiso 1 1 calc R E 1
C77 C 0.1419(4) 0.7861(2) 0.4417(2) 0.078(2) Uani 1 1 d G E 1
H77 H 0.1187 0.7387 0.4555 0.094 Uiso 1 1 calc R E 1
C78 C 0.2471(4) 0.8376(3) 0.4573(2) 0.082(2) Uani 1 1 d G E 1
H78 H 0.2957 0.8253 0.4818 0.099 Uiso 1 1 calc R E 1
C79 C 0.2811(3) 0.9071(3) 0.4371(2) 0.096(3) Uani 1 1 d G E 1
H79 H 0.3529 0.9423 0.4478 0.115 Uiso 1 1 calc R E 1
C80 C 0.2100(3) 0.9251(3) 0.4014(2) 0.077(2) Uani 1 1 d G E 1
H80 H 0.2332 0.9726 0.3876 0.093 Uiso 1 1 calc R E 1
C81 C 0.0188(3) 0.9960(2) 0.37038(16) 0.0556(14) Uani 1 1 d G E 1
C82 C -0.0242(4) 1.0052(2) 0.42119(16) 0.0641(16) Uani 1 1 d G E 1
H82A H -0.0563 0.9609 0.4375 0.077 Uiso 1 1 calc R E 1
C83 C -0.0200(4) 1.0792(3) 0.44810(15) 0.074(2) Uani 1 1 d G E 1
H83A H -0.0494 1.0854 0.4828 0.089 Uiso 1 1 calc R E 1
C84 C 0.0270(4) 1.1440(2) 0.4242(2) 0.079(2) Uani 1 1 d G E 1
H84A H 0.0299 1.1946 0.4426 0.095 Uiso 1 1 calc R E 1
C85 C 0.0700(4) 1.1348(2) 0.3734(2) 0.075(2) Uani 1 1 d G E 1
H85A H 0.1022 1.1791 0.3570 0.091 Uiso 1 1 calc R E 1
C86 C 0.0659(4) 1.0608(3) 0.34647(15) 0.0653(16) Uani 1 1 d G E 1
H86A H 0.0953 1.0546 0.3117 0.078 Uiso 1 1 calc R E 1
O1A O 0.3355(15) 1.1320(10) 0.1932(8) 0.143(6) Uiso 0.50 1 d PD F 1
O2A O 0.2958(10) 1.0754(7) 0.2595(5) 0.087(3) Uiso 0.50 1 d PD F 1
C111 C 0.3537(12) 1.0903(8) 0.2257(6) 0.072(4) Uiso 0.50 1 d PD F 1
C121 C 0.4630(11) 1.0718(7) 0.2266(5) 0.068(3) Uiso 0.50 1 d PD F 1
F1A F 0.4963(11) 1.0765(7) 0.2785(5) 0.122(4) Uiso 0.50 1 d PD F 1
F2A F 0.4494(9) 1.0007(5) 0.2043(4) 0.098(3) Uiso 0.50 1 d PD F 1
F3A F 0.5395(9) 1.1215(6) 0.2082(4) 0.101(3) Uiso 0.50 1 d PD F 1
O1B O 0.1615(14) 1.1727(10) 0.2027(7) 0.058(4) Uiso 0.25 1 d PD G 2
O2B O 0.2329(11) 1.2645(8) 0.1521(6) 0.038(3) Uiso 0.25 1 d PD G 2
C112 C 0.162(2) 1.2266(15) 0.1779(10) 0.072(7) Uiso 0.25 1 d PD G 2
C122 C 0.053(2) 1.2501(15) 0.1785(11) 0.090(10) Uiso 0.25 1 d PD G 2
F1B F 0.047(2) 1.2947(13) 0.1442(10) 0.121(8) Uiso 0.25 1 d PD G 2
F2B F -0.025(2) 1.1897(12) 0.1647(10) 0.118(7) Uiso 0.25 1 d PD G 2
F3B F 0.059(4) 1.288(2) 0.2273(10) 0.205(18) Uiso 0.25 1 d PD G 2
O1C O 0.1912(16) 1.1040(12) 0.1226(9) 0.071(5) Uiso 0.25 1 d PD H 3
O2C O 0.2639(11) 1.2352(8) 0.1352(6) 0.039(3) Uiso 0.25 1 d PD H 3
C113 C 0.1988(15) 1.1704(13) 0.1112(8) 0.047(4) Uiso 0.25 1 d PD H 3
C123 C 0.1118(19) 1.1687(12) 0.0601(10) 0.075(8) Uiso 0.25 1 d PD H 3
F1C F 0.1531(18) 1.1668(12) 0.0138(9) 0.113(7) Uiso 0.25 1 d PD H 3
F2C F 0.0886(14) 1.2315(9) 0.0684(7) 0.081(5) Uiso 0.25 1 d PD H 3
F3C F 0.0291(19) 1.1115(11) 0.0594(11) 0.127(8) Uiso 0.25 1 d PD H 3
O201 O -0.0478(18) 1.1942(13) 0.2558(9) 0.160(7) Uiso 0.50 1 d PD I 4
C201 C 0.036(2) 1.2448(16) 0.2350(12) 0.126(8) Uiso 0.50 1 d PD I 4
H201 H 0.0724 1.2146 0.2104 0.152 Uiso 0.50 1 calc PR I 4
H202 H 0.0897 1.2787 0.2664 0.152 Uiso 0.50 1 calc PR I 4
C202 C -0.005(2) 1.2948(17) 0.2022(15) 0.169(12) Uiso 0.50 1 d PD I 4
H203 H 0.0412 1.3128 0.1728 0.203 Uiso 0.50 1 calc PR I 4
H204 H -0.0175 1.3397 0.2263 0.203 Uiso 0.50 1 calc PR I 4
C203 C -0.111(2) 1.2279(17) 0.1786(12) 0.140(9) Uiso 0.50 1 d PD I 4
H205 H -0.1645 1.2482 0.1618 0.168 Uiso 0.50 1 calc PR I 4
H206 H -0.0966 1.1886 0.1497 0.168 Uiso 0.50 1 calc PR I 4
C204 C -0.150(2) 1.193(2) 0.2273(12) 0.157(11) Uiso 0.50 1 d PD I 4
H207 H -0.1852 1.2259 0.2511 0.188 Uiso 0.50 1 calc PR I 4
H208 H -0.2021 1.1396 0.2156 0.188 Uiso 0.50 1 calc PR I 4
O301 O -0.1219(12) 1.2593(9) 0.3563(7) 0.223(6) Uiso 1 1 d D . .
C301 C -0.0465(11) 1.3421(8) 0.3738(6) 0.137(4) Uiso 1 1 d D . .
H301 H -0.0367 1.3680 0.3408 0.164 Uiso 1 1 calc R . .
H302 H 0.0255 1.3421 0.3888 0.164 Uiso 1 1 calc R . .
C302 C -0.0926(9) 1.3867(6) 0.4181(5) 0.103(3) Uiso 1 1 d D . .
H303 H -0.0342 1.4284 0.4436 0.123 Uiso 1 1 calc R . .
H304 H -0.1421 1.4101 0.4010 0.123 Uiso 1 1 calc R . .
C303 C -0.1492(7) 1.3277(5) 0.4462(4) 0.085(2) Uiso 1 1 d D . .
H305 H -0.2159 1.3373 0.4583 0.101 Uiso 1 1 calc R . .
H306 H -0.1032 1.3280 0.4800 0.101 Uiso 1 1 calc R . .
C304 C -0.1778(12) 1.2519(8) 0.4086(6) 0.136(4) Uiso 1 1 d D . .
H307 H -0.2574 1.2309 0.3984 0.164 Uiso 1 1 calc R . .
H308 H -0.1563 1.2146 0.4279 0.164 Uiso 1 1 calc R . .
O401 O 0.4387(10) 1.0329(7) 0.5568(5) 0.171(4) Uiso 1 1 d D . .
C401 C 0.3588(13) 1.0696(10) 0.5730(7) 0.156(5) Uiso 1 1 d D . .
H401 H 0.3910 1.1268 0.5755 0.187 Uiso 1 1 calc R . .
H402 H 0.2961 1.0501 0.5437 0.187 Uiso 1 1 calc R . .
C402 C 0.3213(10) 1.0546(7) 0.6257(5) 0.111(3) Uiso 1 1 d D . .
H403 H 0.2451 1.0533 0.6272 0.134 Uiso 1 1 calc R . .
H404 H 0.3678 1.0938 0.6575 0.134 Uiso 1 1 calc R . .
C403 C 0.3316(13) 0.9757(9) 0.6252(7) 0.164(6) Uiso 1 1 d D . .
H405 H 0.2640 0.9336 0.6076 0.197 Uiso 1 1 calc R . .
H406 H 0.3491 0.9684 0.6635 0.197 Uiso 1 1 calc R . .
C404 C 0.4291(9) 0.9772(7) 0.5884(5) 0.107(3) Uiso 1 1 d D . .
H407 H 0.4973 0.9893 0.6131 0.129 Uiso 1 1 calc R . .
H408 H 0.4146 0.9255 0.5640 0.129 Uiso 1 1 calc R . .
O501 O 0.726(2) 1.0650(15) 0.0459(10) 0.154(11) Uiso 0.50 1 d PD J 7
C501 C 0.676(3) 1.0467(13) 0.0962(11) 0.133(9) Uiso 0.50 1 d PD J 7
H50A H 0.7306 1.0737 0.1291 0.160 Uiso 0.50 1 calc PR J 7
H50B H 0.6155 1.0679 0.0995 0.160 Uiso 0.50 1 calc PR J 7
O511 O 0.6972(12) 1.0493(8) 0.0373(5) 0.072(3) Uiso 0.50 1 d PD J 8
C511 C 0.7291(18) 1.0341(12) 0.0905(9) 0.102(6) Uiso 0.50 1 d PD J 8
H51B H 0.7383 1.0795 0.1209 0.123 Uiso 0.50 1 calc PR J 8
H51C H 0.7977 1.0219 0.0899 0.123 Uiso 0.50 1 calc PR J 8
C502 C 0.6359(11) 0.9645(7) 0.0978(6) 0.122(4) Uiso 1 1 d D . .
H50C H 0.5565 0.9464 0.0996 0.147 Uiso 1 1 calc R J 7
H50D H 0.6724 0.9525 0.1302 0.147 Uiso 1 1 calc R J 7
C503 C 0.665(2) 0.9282(14) 0.0430(10) 0.135(9) Uiso 0.50 1 d PD J 7
H50E H 0.7153 0.8994 0.0499 0.162 Uiso 0.50 1 calc PR J 7
H50F H 0.5986 0.8913 0.0198 0.162 Uiso 0.50 1 calc PR J 7
C504 C 0.717(2) 0.9943(14) 0.0141(11) 0.131(8) Uiso 0.50 1 d PD J 7
H50G H 0.7907 0.9935 0.0061 0.158 Uiso 0.50 1 calc PR J 7
H50H H 0.6740 0.9873 -0.0222 0.158 Uiso 0.50 1 calc PR J 7
C513 C 0.545(2) 0.9706(18) 0.0622(11) 0.146(10) Uiso 0.50 1 d PD J 8
H51D H 0.5079 1.0039 0.0836 0.175 Uiso 0.50 1 calc PR J 8
H51E H 0.4909 0.9183 0.0475 0.175 Uiso 0.50 1 calc PR J 8
C514 C 0.5977(16) 1.0072(14) 0.0155(9) 0.113(7) Uiso 0.50 1 d PD J 8
H51F H 0.5983 0.9665 -0.0166 0.135 Uiso 0.50 1 calc PR J 8
H51G H 0.5587 1.0407 0.0025 0.135 Uiso 0.50 1 calc PR J 8
O601 O -0.989(3) 0.5237(17) -0.0360(12) 0.218(11) Uiso 0.50 1 d PD . .
C601 C -1.078(2) 0.4534(15) -0.0268(11) 0.229(10) Uiso 1 1 d D . .
C602 C -1.105(3) 0.4656(17) 0.0282(13) 0.149(10) Uiso 0.50 1 d PD . .
C603 C -1.024(2) 0.5454(17) 0.0486(13) 0.150(10) Uiso 0.50 1 d PD . .
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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
P4 Ag1 S1 140.08(5) . . ?
P4 Ag1 S3 115.10(5) . . ?
S1 Ag1 S3 95.31(4) . . ?
P4 Ag1 Ag4 93.92(4) . . ?
S1 Ag1 Ag4 103.32(4) . . ?
S3 Ag1 Ag4 104.34(3) . . ?
P4 Ag1 Ag2 167.39(3) . . ?
S1 Ag1 Ag2 52.50(3) . . ?
S3 Ag1 Ag2 57.03(3) . . ?
Ag4 Ag1 Ag2 79.707(15) . . ?
P6 Ag2 S4 136.81(5) . . ?
P6 Ag2 S1 109.10(5) . . ?
S4 Ag2 S1 112.09(4) . . ?
P6 Ag2 S3 121.25(5) . . ?
S4 Ag2 S3 74.60(4) . . ?
S1 Ag2 S3 85.94(4) . . ?
P6 Ag2 Ag3 94.20(4) . . ?
S4 Ag2 Ag3 66.47(4) . . ?
S1 Ag2 Ag3 100.19(4) . . ?
S3 Ag2 Ag3 140.04(3) . . ?
P6 Ag2 Ag1 150.28(4) . . ?
S4 Ag2 Ag1 72.14(3) . . ?
S1 Ag2 Ag1 47.67(3) . . ?
S3 Ag2 Ag1 50.10(3) . . ?
Ag3 Ag2 Ag1 107.024(17) . . ?
P7 Ag3 S2 142.21(5) . . ?
P7 Ag3 S5 102.58(5) . . ?
S2 Ag3 S5 113.55(5) . . ?
P7 Ag3 Ag2 83.07(4) . . ?
S2 Ag3 Ag2 82.40(4) . . ?
S5 Ag3 Ag2 129.58(5) . . ?
P5 Ag4 S4 138.32(5) . . ?
P5 Ag4 S6 107.25(5) . . ?
S4 Ag4 S6 107.08(5) . . ?
P5 Ag4 S2 124.80(4) . . ?
S4 Ag4 S2 86.47(4) . . ?
S6 Ag4 S2 75.37(4) . . ?
P5 Ag4 Ag1 82.36(4) . . ?
S4 Ag4 Ag1 75.36(3) . . ?
S6 Ag4 Ag1 156.57(4) . . ?
S2 Ag4 Ag1 81.61(3) . . ?
P1 S1 Ag1 109.69(7) . . ?
P1 S1 Ag2 95.03(6) . . ?
Ag1 S1 Ag2 79.83(4) . . ?
P1 S2 Ag3 105.17(7) . . ?
P1 S2 Ag4 119.53(8) . . ?
Ag3 S2 Ag4 94.37(4) . . ?
C7 P1 C1 104.2(2) . . ?
C7 P1 S2 111.06(16) . . ?
C1 P1 S2 107.39(14) . . ?
C7 P1 S1 106.83(16) . . ?
C1 P1 S1 110.07(15) . . ?
S2 P1 S1 116.60(8) . . ?
P2 S3 Ag1 91.60(6) . . ?
P2 S3 Ag2 78.95(6) . . ?
Ag1 S3 Ag2 72.88(4) . . ?
P2 S4 Ag4 109.50(7) . . ?
P2 S4 Ag2 86.35(6) . . ?
Ag4 S4 Ag2 109.08(5) . . ?
C19 P2 C13 105.61(18) . . ?
C19 P2 S3 111.03(13) . . ?
C13 P2 S3 109.35(14) . . ?
C19 P2 S4 109.31(14) . . ?
C13 P2 S4 107.34(14) . . ?
S3 P2 S4 113.81(8) . . ?
P3 S5 Ag3 112.70(8) . . ?
P3 S6 Ag4 108.80(7) . . ?
C31 P3 C25 104.4(2) . . ?
C31 P3 S5 108.02(17) . . ?
C25 P3 S5 108.75(16) . . ?
C31 P3 S6 107.39(16) . . ?
C25 P3 S6 107.96(17) . . ?
S5 P3 S6 119.32(9) . . ?
C49 P4 C37 105.0(2) . . ?
C49 P4 C43 100.6(2) . . ?
C37 P4 C43 106.21(18) . . ?
C49 P4 Ag1 112.57(19) . . ?
C37 P4 Ag1 115.92(13) . . ?
C43 P4 Ag1 114.98(13) . . ?
C49 P5 C50 104.7(2) . . ?
C49 P5 C56 100.2(2) . . ?
C50 P5 C56 105.71(19) . . ?
C49 P5 Ag4 120.03(18) . . ?
C50 P5 Ag4 110.56(17) . . ?
C56 P5 Ag4 114.25(15) . . ?
C68 P6 C62 103.3(2) . . ?
C68 P6 C74 104.1(2) . . ?
C62 P6 C74 104.2(2) . . ?
C68 P6 Ag2 118.07(13) . . ?
C62 P6 Ag2 113.09(15) . . ?
C74 P6 Ag2 112.67(18) . . ?
C75 P7 C81 103.1(2) . . ?
C75 P7 C74 103.9(2) . . ?
C81 P7 C74 104.4(2) . . ?
C75 P7 Ag3 113.00(14) . . ?
C81 P7 Ag3 113.06(15) . . ?
C74 P7 Ag3 117.85(18) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 P1 119.1(2) . . ?
C6 C1 P1 120.7(2) . . ?
C3 C2 C1 120.0 . . ?
C2 C3 C4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C1 120.0 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 P1 119.8(2) . . ?
C12 C7 P1 120.2(2) . . ?
C7 C8 C9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C11 C10 C9 120.0 . . ?
C10 C11 C12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 P2 119.0(2) . . ?
C18 C13 P2 120.9(2) . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C17 C18 C13 120.0 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 P2 120.3(2) . . ?
C24 C19 P2 119.7(2) . . ?
C19 C20 C21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C23 C24 120.0 . . ?
C23 C24 C19 120.0 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 P3 118.8(2) . . ?
C30 C25 P3 121.2(2) . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C29 C30 C25 120.0 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P3 120.4(3) . . ?
C36 C31 P3 119.6(3) . . ?
C31 C32 C33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C35 C34 C33 120.0 . . ?
C34 C35 C36 120.0 . . ?
C35 C36 C31 120.0 . . ?
C38 C37 C42 120.0 . . ?
C38 C37 P4 118.1(2) . . ?
C42 C37 P4 121.9(2) . . ?
C37 C38 C39 120.0 . . ?
C40 C39 C38 120.0 . . ?
C39 C40 C41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C41 C42 C37 120.0 . . ?
C44 C43 C48 120.0 . . ?
C44 C43 P4 118.1(2) . . ?
C48 C43 P4 121.8(2) . . ?
C43 C44 C45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C46 C47 C48 120.0 . . ?
C47 C48 C43 120.0 . . ?
P5 C49 P4 114.7(3) . . ?
C51 C50 C55 120.0 . . ?
C51 C50 P5 121.1(3) . . ?
C55 C50 P5 118.9(3) . . ?
C52 C51 C50 120.0 . . ?
C51 C52 C53 120.0 . . ?
C52 C53 C54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C54 C55 C50 120.0 . . ?
C57 C56 C61 120.0 . . ?
C57 C56 P5 123.3(2) . . ?
C61 C56 P5 116.7(2) . . ?
C56 C57 C58 120.0 . . ?
C57 C58 C59 120.0 . . ?
C60 C59 C58 120.0 . . ?
C61 C60 C59 120.0 . . ?
C60 C61 C56 120.0 . . ?
C63 C62 C67 120.0 . . ?
C63 C62 P6 122.7(2) . . ?
C67 C62 P6 117.3(2) . . ?
C64 C63 C62 120.0 . . ?
C65 C64 C63 120.0 . . ?
C64 C65 C66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C66 C67 C62 120.0 . . ?
C69 C68 C73 120.0 . . ?
C69 C68 P6 119.5(2) . . ?
C73 C68 P6 120.5(2) . . ?
C68 C69 C70 120.0 . . ?
C71 C70 C69 120.0 . . ?
C72 C71 C70 120.0 . . ?
C71 C72 C73 120.0 . . ?
C72 C73 C68 120.0 . . ?
P6 C74 P7 110.6(3) . . ?
C76 C75 C80 120.0 . . ?
C76 C75 P7 119.2(2) . . ?
C80 C75 P7 120.8(2) . . ?
C77 C76 C75 120.0 . . ?
C76 C77 C78 120.0 . . ?
C77 C78 C79 120.0 . . ?
C80 C79 C78 120.0 . . ?
C79 C80 C75 120.0 . . ?
C82 C81 C86 120.0 . . ?
C82 C81 P7 116.4(3) . . ?
C86 C81 P7 123.6(3) . . ?
C81 C82 C83 120.0 . . ?
C82 C83 C84 120.0 . . ?
C85 C84 C83 120.0 . . ?
C86 C85 C84 120.0 . . ?
C85 C86 C81 120.0 . . ?
O2A C111 O1A 118.0(18) . . ?
O2A C111 C121 121.3(14) . . ?
O1A C111 C121 119.8(16) . . ?
F3A C121 F2A 113.6(13) . . ?
F3A C121 F1A 105.4(11) . . ?
F2A C121 F1A 103.6(11) . . ?
F3A C121 C111 113.7(12) . . ?
F2A C121 C111 112.2(11) . . ?
F1A C121 C111 107.2(12) . . ?
O2B C112 O1B 130(3) . . ?
O2B C112 C122 115(2) . . ?
O1B C112 C122 115(2) . . ?
F2B C122 F3B 117(2) . . ?
F2B C122 F1B 107.3(19) . . ?
F3B C122 F1B 108(2) . . ?
F2B C122 C112 108(2) . . ?
F3B C122 C112 104(3) . . ?
F1B C122 C112 113(2) . . ?
O2C C113 O1C 127(2) . . ?
O2C C113 C123 118.2(17) . . ?
O1C C113 C123 114.8(18) . . ?
F3C C123 F2C 110.2(18) . . ?
F3C C123 F1C 112.9(19) . . ?
F2C C123 F1C 105.7(17) . . ?
F3C C123 C113 108(2) . . ?
F2C C123 C113 109.6(18) . . ?
F1C C123 C113 110.8(19) . . ?
C201 O201 C204 108(2) . . ?
O201 C201 C202 111(2) . . ?
C201 C202 C203 93(2) . . ?
C204 C203 C202 105(2) . . ?
O201 C204 C203 100(2) . . ?
C304 O301 C301 98.8(12) . . ?
O301 C301 C302 110.0(12) . . ?
C303 C302 C301 102.1(9) . . ?
C302 C303 C304 109.2(10) . . ?
C303 C304 O301 110.8(11) . . ?
C404 O401 C401 105.8(12) . . ?
C402 C401 O401 112.7(13) . . ?
C401 C402 C403 100.7(12) . . ?
C402 C403 C404 102.6(11) . . ?
O401 C404 C403 108.3(11) . . ?
C504 O501 C501 105(2) . . ?
C502 C501 O501 115(2) . . ?
C514 O511 C511 114.7(16) . . ?
O511 C511 C502 103.2(14) . . ?
C501 C502 C513 80.4(18) . . ?
C501 C502 C511 31.6(14) . . ?
C513 C502 C511 102.7(15) . . ?
C501 C502 C503 102.1(17) . . ?
C513 C502 C503 83.9(18) . . ?
C511 C502 C503 82.6(15) . . ?
C504 C503 C502 106.4(19) . . ?
O501 C504 C503 112(2) . . ?
C502 C513 C514 104.1(19) . . ?
O511 C514 C513 105.1(18) . . ?
C602 O601 C603 73(2) 2_365 2_365 ?
C602 O601 C601 126(3) 2_365 . ?
C603 O601 C601 61.7(15) 2_365 . ?
C602 O601 C601 56.8(15) 2_365 2_365 ?
C603 O601 C601 95(2) 2_365 2_365 ?
C601 O601 C601 97(2) . 2_365 ?
C602 C601 C603 132(3) . 2_365 ?
C602 C601 O601 110(3) . . ?
C603 C601 O601 53.4(17) 2_365 . ?
C602 C601 O601 45.0(17) . 2_365 ?
C603 C601 O601 87(2) 2_365 2_365 ?
O601 C601 O601 83(2) . 2_365 ?
O601 C602 C601 78(2) 2_365 . ?
O601 C602 C603 58(2) 2_365 . ?
C601 C602 C603 98(2) . . ?
O601 C603 C601 64.9(17) 2_365 2_365 ?
O601 C603 C602 49.3(19) 2_365 . ?
C601 C603 C602 108(2) 2_365 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P4 2.4015(14) . ?
Ag1 S1 2.5058(14) . ?
Ag1 S3 2.6778(14) . ?
Ag1 Ag4 3.2214(6) . ?
Ag1 Ag2 3.3360(6) . ?
Ag2 P6 2.4080(15) . ?
Ag2 S4 2.6289(15) . ?
Ag2 S1 2.6889(14) . ?
Ag2 S3 2.9285(16) . ?
Ag2 Ag3 3.1091(7) . ?
Ag3 P7 2.4276(15) . ?
Ag3 S2 2.4798(13) . ?
Ag3 S5 2.5444(16) . ?
Ag4 P5 2.4393(16) . ?
Ag4 S4 2.5309(14) . ?
Ag4 S6 2.6096(16) . ?
Ag4 S2 2.8949(15) . ?
S1 P1 2.026(2) . ?
S2 P1 2.0131(18) . ?
P1 C7 1.815(3) . ?
P1 C1 1.819(3) . ?
S3 P2 2.0034(18) . ?
S4 P2 2.027(2) . ?
P2 C19 1.818(3) . ?
P2 C13 1.819(3) . ?
S5 P3 1.992(2) . ?
S6 P3 2.003(2) . ?
P3 C31 1.832(3) . ?
P3 C25 1.846(3) . ?
P4 C49 1.826(5) . ?
P4 C37 1.829(3) . ?
P4 C43 1.833(3) . ?
P5 C49 1.824(7) . ?
P5 C50 1.827(3) . ?
P5 C56 1.849(3) . ?
P6 C68 1.822(3) . ?
P6 C62 1.825(3) . ?
P6 C74 1.839(6) . ?
P7 C75 1.833(3) . ?
P7 C81 1.835(4) . ?
P7 C74 1.840(6) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.3900 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 C39 1.3900 . ?
C39 C40 1.3900 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C47 C48 1.3900 . ?
C50 C51 1.3900 . ?
C50 C55 1.3900 . ?
C51 C52 1.3900 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C54 C55 1.3900 . ?
C56 C57 1.3900 . ?
C56 C61 1.3900 . ?
C57 C58 1.3900 . ?
C58 C59 1.3900 . ?
C59 C60 1.3900 . ?
C60 C61 1.3900 . ?
C62 C63 1.3900 . ?
C62 C67 1.3900 . ?
C63 C64 1.3900 . ?
C64 C65 1.3900 . ?
C65 C66 1.3900 . ?
C66 C67 1.3900 . ?
C68 C69 1.3900 . ?
C68 C73 1.3900 . ?
C69 C70 1.3900 . ?
C70 C71 1.3900 . ?
C71 C72 1.3900 . ?
C72 C73 1.3900 . ?
C75 C76 1.3900 . ?
C75 C80 1.3900 . ?
C76 C77 1.3900 . ?
C77 C78 1.3900 . ?
C78 C79 1.3900 . ?
C79 C80 1.3900 . ?
C81 C82 1.3900 . ?
C81 C86 1.3900 . ?
C82 C83 1.3900 . ?
C83 C84 1.3900 . ?
C84 C85 1.3900 . ?
C85 C86 1.3900 . ?
O1A C111 1.25(2) . ?
O2A C111 1.151(19) . ?
C111 C121 1.57(2) . ?
C121 F3A 1.278(13) . ?
C121 F2A 1.279(13) . ?
C121 F1A 1.294(13) . ?
O1B C112 1.24(3) . ?
O2B C112 1.23(3) . ?
C112 C122 1.62(4) . ?
C122 F2B 1.227(18) . ?
C122 F3B 1.259(18) . ?
C122 F1B 1.275(18) . ?
O1C C113 1.27(3) . ?
O2C C113 1.25(3) . ?
C113 C123 1.63(3) . ?
C123 F3C 1.242(17) . ?
C123 F2C 1.269(17) . ?
C123 F1C 1.274(17) . ?
O201 C201 1.37(2) . ?
O201 C204 1.47(2) . ?
C201 C202 1.51(3) . ?
C202 C203 1.54(2) . ?
C203 C204 1.47(2) . ?
O301 C304 1.502(16) . ?
O301 C301 1.504(16) . ?
C301 C302 1.509(15) . ?
C302 C303 1.406(12) . ?
C303 C304 1.460(14) . ?
O401 C404 1.355(12) . ?
O401 C401 1.446(16) . ?
C401 C402 1.433(15) . ?
C402 C403 1.492(16) . ?
C403 C404 1.587(16) . ?
O501 C504 1.37(2) . ?
O501 C501 1.45(2) . ?
C501 C502 1.44(2) . ?
O511 C514 1.314(19) . ?
O511 C511 1.44(2) . ?
C511 C502 1.503(19) . ?
C502 C513 1.48(2) . ?
C502 C503 1.51(2) . ?
C503 C504 1.50(2) . ?
C513 C514 1.50(2) . ?
O601 C602 1.19(4) 2_365 ?
O601 C603 1.32(4) 2_365 ?
O601 C601 1.49(2) . ?
O601 C601 1.64(2) 2_365 ?
C601 C602 1.40(2) . ?
C601 C603 1.45(2) 2_365 ?
C601 O601 1.64(2) 2_365 ?
C602 O601 1.19(4) 2_365 ?
C602 C603 1.50(3) . ?
C603 O601 1.32(4) 2_365 ?
C603 C601 1.45(2) 2_365 ?
