#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:15:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179806 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/02/7010291.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_7010291
loop_
_publ_author_name
'Bowmaker, Graham A.'
'Hanna, John V.'
'Rickard, Clifton E. F.'
'Lipton, Andrew S.'
_publ_section_title
;
 Crystal structures and vibrational and solid-state (CPMAS) NMR
 spectroscopy of some bis(triphenylphosphine)silver(I) sulfate,
 selenate and phosphate systems
;
_journal_issue                   1
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              20
_journal_paper_doi               10.1039/b007796h
_journal_year                    2001
_chemical_formula_sum            'C36 H33 Ag O5 P2 S'
_chemical_formula_weight         747.49
_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                92.9180(10)
_cell_angle_beta                 103.5360(10)
_cell_angle_gamma                118.0230(10)
_cell_formula_units_Z            4
_cell_length_a                   12.58420(10)
_cell_length_b                   13.26680(10)
_cell_length_c                   24.3057(3)
_cell_measurement_reflns_used    8088
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2
_cell_volume                     3420.91(7)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'Siemens SAINT  (Siemens, 1995)'
_computing_molecular_graphics    'Siemens SHELXTL (Siemens, 1994)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 Sheldrick, (1997)'
_computing_structure_solution    'SHELXS Sheldrick, (1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Siemens SMART'
_diffrn_measurement_method       'Area detector ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0183
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            32305
_diffrn_reflns_theta_full        27.07
_diffrn_reflns_theta_max         27.07
_diffrn_reflns_theta_min         0.88
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_T_max  0.9049
_exptl_absorpt_correction_T_min  0.7708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.090
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         14368
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          2.145
_refine_ls_shift/su_mean         0.018
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0351P)²+3.9827P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.0889
_reflns_number_gt                12199
_reflns_number_total             14368
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b007796h.txt
_cod_data_source_block           gab9963
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+3.9827P] 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^)+(0.0351P)^2^+3.9827P] 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        3420.90(6)
_cod_database_code               7010291
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 0.627060(19) 0.603946(17) 0.867034(9) 0.03348(6) Uani 1 d . . .
P1 P 0.60556(6) 0.77306(6) 0.88920(3) 0.03080(14) Uani 1 d . . .
P2 P 0.78474(6) 0.55286(6) 0.91308(3) 0.03125(14) Uani 1 d . . .
S1 S 0.35294(8) 0.33800(7) 0.79366(3) 0.0500(2) Uani 1 d . . .
O1 O 0.4325(2) 0.4221(2) 0.84539(10) 0.0692(8) Uani 1 d . . .
O2 O 0.2389(2) 0.2446(2) 0.79970(11) 0.0725(8) Uani 1 d . . .
O3 O 0.3141(3) 0.4004(2) 0.74820(12) 0.0732(8) Uani 1 d . . .
H3B H 0.393(4) 0.473(4) 0.7413(19) 0.088 Uiso 1 d . . .
O4 O 0.4226(3) 0.2933(3) 0.76928(15) 0.0872(10) Uani 1 d . . .
C1 C 0.5991(2) 0.8004(2) 0.96268(12) 0.0344(6) Uani 1 d . . .
C2 C 0.6655(3) 0.7681(3) 1.00601(13) 0.0430(7) Uani 1 d . . .
H2B H 0.7148 0.7367 0.9970 0.052 Uiso 1 calc R . .
C3 C 0.6598(3) 0.7817(3) 1.06205(14) 0.0519(8) Uani 1 d . . .
H3B H 0.7056 0.7602 1.0913 0.062 Uiso 1 calc R . .
C4 C 0.5878(3) 0.8263(3) 1.07553(15) 0.0545(9) Uani 1 d . . .
H4B H 0.5832 0.8347 1.1138 0.065 Uiso 1 calc R . .
C5 C 0.5229(3) 0.8585(3) 1.03319(15) 0.0531(8) Uani 1 d . . .
H5A H 0.4741 0.8901 1.0426 0.064 Uiso 1 calc R . .
C6 C 0.5274(3) 0.8455(3) 0.97691(14) 0.0444(7) Uani 1 d . . .
H6A H 0.4814 0.8676 0.9481 0.053 Uiso 1 calc R . .
C7 C 0.7466(2) 0.9006(2) 0.88383(12) 0.0332(6) Uani 1 d . . .
C8 C 0.7697(3) 0.9041(3) 0.83042(14) 0.0446(7) Uani 1 d . . .
H8A H 0.7098 0.8448 0.7982 0.053 Uiso 1 calc R . .
C9 C 0.8794(3) 0.9935(3) 0.82393(17) 0.0558(9) Uani 1 d . . .
H9A H 0.8937 0.9958 0.7872 0.067 Uiso 1 calc R . .
C10 C 0.9676(3) 1.0790(3) 0.8703(2) 0.0620(10) Uani 1 d . . .
H10A H 1.0427 1.1401 0.8657 0.074 Uiso 1 calc R . .
C11 C 0.9468(3) 1.0757(3) 0.92365(18) 0.0579(9) Uani 1 d . . .
H11A H 1.0084 1.1338 0.9559 0.070 Uiso 1 calc R . .
C12 C 0.8357(3) 0.9873(2) 0.93034(14) 0.0445(7) Uani 1 d . . .
H12A H 0.8209 0.9865 0.9669 0.053 Uiso 1 calc R . .
C13 C 0.4753(3) 0.7822(2) 0.84290(12) 0.0359(6) Uani 1 d . . .
C14 C 0.4750(3) 0.8876(3) 0.84036(14) 0.0442(7) Uani 1 d . . .
H14A H 0.5459 0.9580 0.8628 0.053 Uiso 1 calc R . .
C15 C 0.3724(4) 0.8897(4) 0.80546(16) 0.0596(9) Uani 1 d . . .
H15A H 0.3722 0.9611 0.8045 0.072 Uiso 1 calc R . .
C16 C 0.2706(4) 0.7883(5) 0.77205(19) 0.0769(13) Uani 1 d . . .
H16A H 0.2004 0.7900 0.7479 0.092 Uiso 1 calc R . .
C17 C 0.2701(3) 0.6844(4) 0.77350(18) 0.0719(12) Uani 1 d . . .
H17A H 0.1998 0.6150 0.7500 0.086 Uiso 1 calc R . .
C18 C 0.3721(3) 0.6802(3) 0.80923(14) 0.0497(8) Uani 1 d . . .
H18A H 0.3708 0.6082 0.8104 0.060 Uiso 1 calc R . .
C19 C 0.7901(2) 0.5542(2) 0.98878(12) 0.0323(5) Uani 1 d . . .
C20 C 0.6753(3) 0.4982(2) 1.00162(14) 0.0430(7) Uani 1 d . . .
H20A H 0.5985 0.4597 0.9713 0.052 Uiso 1 calc R . .
C21 C 0.6733(3) 0.4986(3) 1.05825(15) 0.0514(8) Uani 1 d . . .
H21A H 0.5952 0.4596 1.0666 0.062 Uiso 1 calc R . .
C22 C 0.7849(3) 0.5559(3) 1.10296(14) 0.0482(7) Uani 1 d . . .
H22A H 0.7830 0.5570 1.1418 0.058 Uiso 1 calc R . .
C23 C 0.8986(3) 0.6112(3) 1.09080(13) 0.0438(7) Uani 1 d . . .
H23A H 0.9751 0.6499 1.1213 0.053 Uiso 1 calc R . .
C24 C 0.9014(3) 0.6102(2) 1.03382(12) 0.0361(6) Uani 1 d . . .
H24A H 0.9799 0.6480 1.0257 0.043 Uiso 1 calc R . .
C25 C 0.7689(2) 0.4127(2) 0.88912(12) 0.0343(6) Uani 1 d . . .
C26 C 0.7644(3) 0.3339(2) 0.92540(13) 0.0395(6) Uani 1 d . . .
H26A H 0.7705 0.3526 0.9647 0.047 Uiso 1 calc R . .
C27 C 0.7512(3) 0.2275(2) 0.90436(15) 0.0453(7) Uani 1 d . . .
H27A H 0.7480 0.1740 0.9294 0.054 Uiso 1 calc R . .
C28 C 0.7426(3) 0.1996(3) 0.84769(15) 0.0497(8) Uani 1 d . . .
H28A H 0.7325 0.1266 0.8334 0.060 Uiso 1 calc R . .
C29 C 0.7487(4) 0.2778(3) 0.81164(15) 0.0597(9) Uani 1 d . . .
H29A H 0.7448 0.2591 0.7727 0.072 Uiso 1 calc R . .
C30 C 0.7604(3) 0.3833(3) 0.83157(14) 0.0505(8) Uani 1 d . . .
H30A H 0.7627 0.4358 0.8061 0.061 Uiso 1 calc R . .
C31 C 0.9445(2) 0.6593(2) 0.91402(11) 0.0324(5) Uani 1 d . . .
C32 C 1.0379(3) 0.6308(3) 0.91590(15) 0.0448(7) Uani 1 d . . .
H32A H 1.0193 0.5526 0.9162 0.054 Uiso 1 calc R . .
C33 C 1.1584(3) 0.7151(3) 0.91730(16) 0.0535(8) Uani 1 d . . .
H33A H 1.2213 0.6942 0.9182 0.064 Uiso 1 calc R . .
C34 C 1.1872(3) 0.8292(3) 0.91733(15) 0.0523(8) Uani 1 d . . .
H34A H 1.2698 0.8872 0.9188 0.063 Uiso 1 calc R . .
C35 C 1.0942(3) 0.8583(3) 0.91521(18) 0.0602(10) Uani 1 d . . .
H35A H 1.1133 0.9366 0.9152 0.072 Uiso 1 calc R . .
C36 C 0.9735(3) 0.7741(3) 0.91307(16) 0.0497(8) Uani 1 d . . .
H36A H 0.9101 0.7948 0.9109 0.060 Uiso 1 calc R . .
Ag2 Ag 0.79490(2) 0.721628(18) 0.632591(9) 0.03658(6) Uani 1 d . . .
P3 P 0.73685(6) 0.86229(6) 0.59724(3) 0.03097(14) Uani 1 d . . .
P4 P 0.88978(7) 0.62439(6) 0.59278(3) 0.03676(16) Uani 1 d . . .
S2 S 0.62632(9) 0.55316(7) 0.72549(3) 0.04769(19) Uani 1 d . . .
O5 O 0.6325(2) 0.5882(2) 0.67066(9) 0.0486(5) Uani 1 d . . .
O6 O 0.5782(3) 0.4221(2) 0.71486(10) 0.0540(6) Uani 1 d . . .
H6B H 0.533(4) 0.394(4) 0.7311(18) 0.065 Uiso 1 d . . .
O7 O 0.5345(3) 0.5706(2) 0.74637(13) 0.0774(9) Uani 1 d . . .
O8 O 0.7471(3) 0.6108(2) 0.76946(11) 0.0847(10) Uani 1 d . . .
O9 O 0.9198(4) 0.8007(3) 0.73360(12) 0.1095(14) Uani 1 d D . .
H9B H 0.871(4) 0.757(4) 0.7545(19) 0.131 Uiso 1 d D . .
H9C H 1.003(3) 0.842(5) 0.7658(19) 0.131 Uiso 1 d D . .
C37 C 0.8808(3) 0.9918(2) 0.59693(11) 0.0329(5) Uani 1 d . . .
C38 C 0.9751(3) 1.0458(3) 0.64934(14) 0.0525(8) Uani 1 d . . .
H38A H 0.9598 1.0181 0.6835 0.063 Uiso 1 calc R . .
C39 C 1.0904(3) 1.1393(3) 0.65194(16) 0.0607(10) Uani 1 d . . .
H39A H 1.1532 1.1766 0.6880 0.073 Uiso 1 calc R . .
C40 C 1.1149(3) 1.1790(3) 0.60246(17) 0.0547(9) Uani 1 d . . .
H40A H 1.1949 1.2423 0.6042 0.066 Uiso 1 calc R . .
C41 C 1.0234(3) 1.1264(3) 0.55097(16) 0.0553(9) Uani 1 d . . .
H41A H 1.0401 1.1539 0.5169 0.066 Uiso 1 calc R . .
C42 C 0.9059(3) 1.0331(3) 0.54760(13) 0.0430(7) Uani 1 d . . .
H42A H 0.8429 0.9979 0.5115 0.052 Uiso 1 calc R . .
C43 C 0.6316(2) 0.8208(2) 0.52397(11) 0.0330(6) Uani 1 d . . .
C44 C 0.6402(3) 0.7489(2) 0.48316(12) 0.0391(6) Uani 1 d . . .
H44A H 0.7019 0.7258 0.4937 0.047 Uiso 1 calc R . .
C45 C 0.5593(3) 0.7112(3) 0.42743(13) 0.0469(7) Uani 1 d . . .
H45A H 0.5669 0.6637 0.3998 0.056 Uiso 1 calc R . .
C46 C 0.4676(3) 0.7427(3) 0.41222(13) 0.0499(8) Uani 1 d . . .
H46A H 0.4114 0.7158 0.3743 0.060 Uiso 1 calc R . .
C47 C 0.4577(3) 0.8130(3) 0.45214(14) 0.0528(8) Uani 1 d . . .
H47A H 0.3944 0.8342 0.4416 0.063 Uiso 1 calc R . .
C48 C 0.5402(3) 0.8531(3) 0.50797(13) 0.0438(7) Uani 1 d . . .
H48A H 0.5338 0.9026 0.5351 0.053 Uiso 1 calc R . .
C49 C 0.6684(3) 0.9160(2) 0.64070(11) 0.0337(6) Uani 1 d . . .
C50 C 0.6864(3) 1.0290(3) 0.64401(12) 0.0432(7) Uani 1 d . . .
H50A H 0.7382 1.0812 0.6239 0.052 Uiso 1 calc R . .
C51 C 0.6292(3) 1.0646(3) 0.67636(13) 0.0501(8) Uani 1 d . . .
H51A H 0.6420 1.1414 0.6785 0.060 Uiso 1 calc R . .
C52 C 0.5534(3) 0.9893(3) 0.70556(13) 0.0504(8) Uani 1 d . . .
H52A H 0.5140 1.0142 0.7277 0.061 Uiso 1 calc R . .
C53 C 0.5348(3) 0.8774(3) 0.70258(13) 0.0482(7) Uani 1 d . . .
H53A H 0.4819 0.8253 0.7224 0.058 Uiso 1 calc R . .
C54 C 0.5930(3) 0.8407(3) 0.67089(12) 0.0382(6) Uani 1 d . . .
H54A H 0.5815 0.7645 0.6697 0.046 Uiso 1 calc R . .
C55 C 0.9007(3) 0.5070(2) 0.62494(14) 0.0419(7) Uani 1 d . . .
C56 C 0.8949(3) 0.4126(3) 0.59350(17) 0.0497(8) Uani 1 d . . .
H56A H 0.8789 0.4046 0.5529 0.060 Uiso 1 calc R . .
C57 C 0.9123(3) 0.3304(3) 0.62144(19) 0.0594(10) Uani 1 d . . .
H57A H 0.9089 0.2666 0.5999 0.071 Uiso 1 calc R . .
C58 C 0.9346(4) 0.3411(3) 0.6804(2) 0.0672(11) Uani 1 d . . .
H58A H 0.9478 0.2853 0.6993 0.081 Uiso 1 calc R . .
C59 C 0.9378(4) 0.4325(3) 0.71198(18) 0.0646(10) Uani 1 d . . .
H59A H 0.9519 0.4391 0.7525 0.077 Uiso 1 calc R . .
C60 C 0.9201(3) 0.5153(3) 0.68400(16) 0.0526(8) Uani 1 d . . .
H60A H 0.9215 0.5778 0.7056 0.063 Uiso 1 calc R . .
C61 C 0.8037(3) 0.5602(2) 0.51706(13) 0.0375(6) Uani 1 d . . .
C62 C 0.8589(3) 0.5806(3) 0.47252(14) 0.0438(7) Uani 1 d . . .
H62A H 0.9479 0.6258 0.4813 0.053 Uiso 1 calc R . .
C63 C 0.7857(3) 0.5358(3) 0.41529(15) 0.0487(7) Uani 1 d . . .
H63A H 0.8248 0.5509 0.3853 0.058 Uiso 1 calc R . .
C64 C 0.6564(3) 0.4695(3) 0.40200(15) 0.0495(8) Uani 1 d . . .
H64A H 0.6063 0.4388 0.3630 0.059 Uiso 1 calc R . .
C65 C 0.6001(3) 0.4480(3) 0.44577(16) 0.0526(8) Uani 1 d . . .
H65A H 0.5112 0.4021 0.4367 0.063 Uiso 1 calc R . .
C66 C 0.6723(3) 0.4927(3) 0.50278(15) 0.0466(7) Uani 1 d . . .
H66A H 0.6325 0.4774 0.5325 0.056 Uiso 1 calc R . .
C67 C 1.0504(3) 0.7260(2) 0.59312(12) 0.0382(6) Uani 1 d . . .
C68 C 1.0908(3) 0.8444(3) 0.60121(14) 0.0453(7) Uani 1 d . . .
H68A H 1.0372 0.8712 0.6093 0.054 Uiso 1 calc R . .
C69 C 1.2092(3) 0.9237(3) 0.59746(17) 0.0576(9) Uani 1 d . . .
H69A H 1.2359 1.0044 0.6030 0.069 Uiso 1 calc R . .
C71 C 1.2501(3) 0.7695(3) 0.57850(18) 0.0601(9) Uani 1 d . . .
H71A H 1.3049 0.7438 0.5708 0.072 Uiso 1 calc R . .
C70 C 1.2877(3) 0.8862(3) 0.58578(17) 0.0588(9) Uani 1 d . . .
H70A H 1.3679 0.9407 0.5827 0.071 Uiso 1 calc R . .
C72 C 1.1324(3) 0.6894(3) 0.58235(16) 0.0517(8) Uani 1 d . . .
H72A H 1.1074 0.6092 0.5776 0.062 Uiso 1 calc R . .
O10 O 1.1474(5) 0.9956(4) 0.7811(2) 0.1346(16) Uani 1 d D . .
H10B H 1.190(7) 1.004(6) 0.752(3) 0.161 Uiso 1 d D . .
H10C H 1.136(7) 1.060(4) 0.781(3) 0.161 Uiso 1 d 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'
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
O1 Ag1 P1 113.72(8) . . y
O1 Ag1 P2 103.15(8) . . y
P1 Ag1 P2 131.38(2) . . y
C13 P1 C7 104.65(13) . . ?
C13 P1 C1 105.21(13) . . ?
C7 P1 C1 105.54(12) . . ?
C13 P1 Ag1 118.58(10) . . ?
C7 P1 Ag1 107.37(9) . . ?
C1 P1 Ag1 114.38(9) . . ?
C25 P2 C19 103.72(12) . . ?
C25 P2 C31 104.47(12) . . ?
C19 P2 C31 104.88(12) . . ?
C25 P2 Ag1 121.01(9) . . ?
C19 P2 Ag1 108.01(9) . . ?
C31 P2 Ag1 113.29(9) . . ?
O1 S1 O2 114.13(15) . . ?
O1 S1 O4 111.1(2) . . ?
O2 S1 O4 111.15(18) . . ?
O1 S1 O3 107.89(17) . . ?
O2 S1 O3 106.94(17) . . ?
O4 S1 O3 105.12(18) . . ?
S1 O1 Ag1 133.14(14) . . ?
C6 C1 C2 118.7(3) . . ?
C6 C1 P1 123.6(2) . . ?
C2 C1 P1 117.6(2) . . ?
C3 C2 C1 120.4(3) . . ?
C4 C3 C2 120.3(3) . . ?
C5 C4 C3 119.5(3) . . ?
C4 C5 C6 121.0(3) . . ?
C1 C6 C5 120.1(3) . . ?
C12 C7 C8 118.9(3) . . ?
C12 C7 P1 123.9(2) . . ?
C8 C7 P1 117.0(2) . . ?
C9 C8 C7 120.4(3) . . ?
C10 C9 C8 120.4(3) . . ?
C9 C10 C11 119.8(3) . . ?
C10 C11 C12 120.2(3) . . ?
C7 C12 C11 120.3(3) . . ?
C18 C13 C14 119.3(3) . . ?
C18 C13 P1 118.1(2) . . ?
C14 C13 P1 122.7(2) . . ?
C15 C14 C13 120.4(3) . . ?
C16 C15 C14 120.0(4) . . ?
C15 C16 C17 120.2(3) . . ?
C16 C17 C18 120.7(4) . . ?
C13 C18 C17 119.4(3) . . ?
C24 C19 C20 119.0(3) . . ?
C24 C19 P2 123.4(2) . . ?
C20 C19 P2 117.6(2) . . ?
C21 C20 C19 120.2(3) . . ?
C20 C21 C22 120.4(3) . . ?
C23 C22 C21 119.9(3) . . ?
C22 C23 C24 120.1(3) . . ?
C19 C24 C23 120.5(3) . . ?
C26 C25 C30 118.8(3) . . ?
C26 C25 P2 123.0(2) . . ?
C30 C25 P2 118.3(2) . . ?
C25 C26 C27 120.3(3) . . ?
C28 C27 C26 120.4(3) . . ?
C27 C28 C29 119.7(3) . . ?
C28 C29 C30 120.7(3) . . ?
C29 C30 C25 120.1(3) . . ?
C32 C31 C36 118.7(3) . . ?
C32 C31 P2 122.9(2) . . ?
C36 C31 P2 118.4(2) . . ?
C31 C32 C33 120.7(3) . . ?
C34 C33 C32 120.3(3) . . ?
C33 C34 C35 119.2(3) . . ?
C34 C35 C36 120.6(3) . . ?
C35 C36 C31 120.4(3) . . ?
O5 Ag2 P4 110.46(6) . . y
O5 Ag2 P3 108.28(6) . . y
P4 Ag2 P3 130.48(3) . . y
O5 Ag2 O9 84.92(10) . . y
P4 Ag2 O9 105.70(13) . . y
P3 Ag2 O9 107.32(11) . . y
C49 P3 C37 103.95(13) . . ?
C49 P3 C43 104.82(13) . . ?
C37 P3 C43 105.44(12) . . ?
C49 P3 Ag2 116.83(9) . . ?
C37 P3 Ag2 107.47(9) . . ?
C43 P3 Ag2 117.04(9) . . ?
C61 P4 C55 104.88(14) . . ?
C61 P4 C67 104.94(13) . . ?
C55 P4 C67 104.74(13) . . ?
C61 P4 Ag2 109.99(9) . . ?
C55 P4 Ag2 119.20(10) . . ?
C67 P4 Ag2 111.96(10) . . ?
O5 S2 O8 113.40(15) . . ?
O5 S2 O7 111.61(16) . . ?
O8 S2 O7 109.5(2) . . ?
O5 S2 O6 106.08(14) . . ?
O8 S2 O6 108.86(17) . . ?
O7 S2 O6 107.10(15) . . ?
S2 O5 Ag2 136.00(13) . . ?
C42 C37 C38 118.6(3) . . ?
C42 C37 P3 124.1(2) . . ?
C38 C37 P3 117.0(2) . . ?
C39 C38 C37 120.5(3) . . ?
C40 C39 C38 120.4(3) . . ?
C41 C40 C39 119.5(3) . . ?
C40 C41 C42 121.0(3) . . ?
C37 C42 C41 120.0(3) . . ?
C48 C43 C44 118.9(3) . . ?
C48 C43 P3 122.9(2) . . ?
C44 C43 P3 118.1(2) . . ?
C45 C44 C43 120.6(3) . . ?
C46 C45 C44 120.0(3) . . ?
C47 C46 C45 120.0(3) . . ?
C46 C47 C48 120.4(3) . . ?
C43 C48 C47 120.2(3) . . ?
C54 C49 C50 119.1(3) . . ?
C54 C49 P3 118.4(2) . . ?
C50 C49 P3 122.5(2) . . ?
C51 C50 C49 120.3(3) . . ?
C52 C51 C50 120.4(3) . . ?
C51 C52 C53 119.9(3) . . ?
C52 C53 C54 120.4(3) . . ?
C53 C54 C49 119.9(3) . . ?
C60 C55 C56 119.0(3) . . ?
C60 C55 P4 117.7(2) . . ?
C56 C55 P4 123.3(3) . . ?
C57 C56 C55 120.2(4) . . ?
C58 C57 C56 120.2(4) . . ?
C57 C58 C59 120.3(3) . . ?
C58 C59 C60 119.6(4) . . ?
C55 C60 C59 120.7(3) . . ?
C62 C61 C66 118.2(3) . . ?
C62 C61 P4 124.3(2) . . ?
C66 C61 P4 117.4(2) . . ?
C61 C62 C63 120.9(3) . . ?
C64 C63 C62 120.1(3) . . ?
C65 C64 C63 119.7(3) . . ?
C64 C65 C66 120.5(3) . . ?
C65 C66 C61 120.6(3) . . ?
C68 C67 C72 118.4(3) . . ?
C68 C67 P4 118.9(2) . . ?
C72 C67 P4 122.7(2) . . ?
C67 C68 C69 120.5(3) . . ?
C70 C69 C68 120.4(3) . . ?
C70 C71 C72 120.2(3) . . ?
C69 C70 C71 120.0(3) . . ?
C71 C72 C67 120.5(3) . . ?
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 O1 2.410(2) . y
Ag1 P1 2.4316(7) . y
Ag1 P2 2.4394(7) . y
P1 C13 1.819(3) . y
P1 C7 1.827(3) . y
P1 C1 1.833(3) . y
P2 C25 1.823(3) . y
P2 C19 1.824(3) . y
P2 C31 1.829(3) . y
S1 O1 1.431(2) . y
S1 O2 1.436(2) . y
S1 O4 1.472(3) . y
S1 O3 1.538(3) . y
C1 C6 1.387(4) . ?
C1 C2 1.400(4) . ?
C2 C3 1.388(4) . ?
C3 C4 1.378(5) . ?
C4 C5 1.374(5) . ?
C5 C6 1.388(4) . ?
C7 C12 1.386(4) . ?
C7 C8 1.394(4) . ?
C8 C9 1.386(4) . ?
C9 C10 1.375(5) . ?
C10 C11 1.380(6) . ?
C11 C12 1.393(5) . ?
C13 C18 1.388(4) . ?
C13 C14 1.404(4) . ?
C14 C15 1.382(5) . ?
C15 C16 1.375(6) . ?
C16 C17 1.377(6) . ?
C17 C18 1.399(5) . ?
C19 C24 1.391(4) . ?
C19 C20 1.402(4) . ?
C20 C21 1.382(4) . ?
C21 C22 1.389(5) . ?
C22 C23 1.381(5) . ?
C23 C24 1.393(4) . ?
C25 C26 1.391(4) . ?
C25 C30 1.398(4) . ?
C26 C27 1.396(4) . ?
C27 C28 1.374(5) . ?
C28 C29 1.378(5) . ?
C29 C30 1.386(5) . ?
C31 C32 1.387(4) . ?
C31 C36 1.392(4) . ?
C32 C33 1.389(4) . ?
C33 C34 1.382(5) . ?
C34 C35 1.385(5) . ?
C35 C36 1.386(4) . ?
Ag2 O5 2.412(2) . y
Ag2 P4 2.4265(8) . y
Ag2 P3 2.4300(7) . y
Ag2 O9 2.446(3) . y
P3 C49 1.814(3) . ?
P3 C37 1.821(3) . y
P3 C43 1.828(3) . y
P4 C61 1.824(3) . y
P4 C55 1.824(3) . y
P4 C67 1.825(3) . y
S2 O5 1.441(2) . y
S2 O8 1.450(3) . y
S2 O7 1.470(3) . y
S2 O6 1.532(2) . y
C37 C42 1.386(4) . ?
C37 C38 1.394(4) . ?
C38 C39 1.381(5) . ?
C39 C40 1.380(5) . ?
C40 C41 1.364(5) . ?
C41 C42 1.392(4) . ?
C43 C48 1.387(4) . ?
C43 C44 1.399(4) . ?
C44 C45 1.389(4) . ?
C45 C46 1.383(5) . ?
C46 C47 1.378(5) . ?
C47 C48 1.397(4) . ?
C49 C54 1.396(4) . ?
C49 C50 1.401(4) . ?
C50 C51 1.381(4) . ?
C51 C52 1.380(5) . ?
C52 C53 1.386(5) . ?
C53 C54 1.388(4) . ?
C55 C60 1.388(5) . ?
C55 C56 1.396(4) . ?
C56 C57 1.389(5) . ?
C57 C58 1.380(6) . ?
C58 C59 1.381(6) . ?
C59 C60 1.397(5) . ?
C61 C62 1.391(4) . ?
C61 C66 1.401(4) . ?
C62 C63 1.392(5) . ?
C63 C64 1.381(4) . ?
C64 C65 1.381(5) . ?
C65 C66 1.385(5) . ?
C67 C68 1.391(4) . ?
C67 C72 1.397(4) . ?
C68 C69 1.392(5) . ?
C69 C70 1.371(5) . ?
C71 C70 1.376(5) . ?
C71 C72 1.389(4) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H9C O10 1.02(2) 1.93(4) 2.722(6) 132(4) .
O3 H3B O7 1.06(5) 1.61(5) 2.641(4) 162(4) .
O6 H6B O4 0.74(4) 1.88(4) 2.608(4) 167(5) .
O9 H9B O8 0.904(19) 1.95(3) 2.793(4) 154(5) .
O10 H10C O2 0.928(19) 2.13(5) 2.910(5) 141(6) 1_665
