#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:19:12 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179837 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/33/7013370.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_7013370
loop_
_publ_author_name
'Malik, K. M. Abdul'
'Newman, Paul D.'
_publ_section_title
;
 Ligand ambivalence in pallada(platina)cyclic complexes of a rigid
 phosphine
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              3516
_journal_paper_doi               10.1039/b307070k
_journal_year                    2003
_chemical_formula_sum            'C54 H74 Ag2 F6 O8 P2 S2'
_chemical_formula_weight         1306.93
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6065(2)
_cell_length_b                   17.2601(2)
_cell_length_c                   20.6222(3)
_cell_measurement_reflns_used    'all observed reflections in the data set'
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.08
_cell_volume                     5910.94(13)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-96 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Nonius kappa CCD area detector'
_diffrn_measurement_method       'phi & omega scan to fill Ewald sphere'
_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  0.0619
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            43065
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  0.706
_exptl_absorpt_correction_T_min  0.679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.694
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.075
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    'calculated positions, riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         11592
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0902
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0849P)²+5.1475P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1463
_refine_ls_wR_factor_ref         0.1646
_reflns_number_gt                8219
_reflns_number_total             11592
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b307070k.txt
_cod_data_source_block           compound11
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7013370
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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 0.20393(4) 0.18443(3) 0.33963(3) 0.0715(2) Uani 1 1 d . . .
Ag2 Ag 0.43772(4) 0.17109(3) 0.26587(4) 0.0808(2) Uani 1 1 d . . .
S1 S 0.29272(13) 0.05525(10) 0.22862(10) 0.0662(5) Uani 1 1 d . . .
S2 S 0.37862(17) 0.14668(16) 0.42490(13) 0.0897(7) Uani 1 1 d . . .
P1 P 0.08747(12) 0.25180(10) 0.37319(9) 0.0557(5) Uani 1 1 d . . .
P2 P 0.53590(12) 0.26976(9) 0.24720(8) 0.0517(4) Uani 1 1 d . . .
F1 F 0.1852(9) 0.0701(10) 0.1400(7) 0.247(6) Uani 1 1 d U . .
F2 F 0.2870(8) 0.0048(5) 0.1122(4) 0.179(4) Uani 1 1 d U . .
F3 F 0.2921(9) 0.1252(7) 0.1201(5) 0.197(4) Uani 1 1 d U . .
F4 F 0.2642(8) 0.0775(7) 0.4839(6) 0.207(4) Uani 1 1 d U . .
F5 F 0.3086(8) 0.0147(6) 0.4159(6) 0.191(4) Uani 1 1 d U . .
F6 F 0.3773(7) 0.0294(6) 0.4979(6) 0.210(4) Uani 1 1 d U . .
O1 O 0.2629(6) 0.1252(4) 0.2547(4) 0.138(4) Uani 1 1 d . . .
O2 O 0.3777(4) 0.0561(4) 0.2248(5) 0.120(3) Uani 1 1 d . . .
O3 O 0.2611(5) -0.0139(5) 0.2513(4) 0.131(3) Uani 1 1 d U . .
O4 O 0.3345(6) 0.1762(7) 0.3782(6) 0.172(4) Uani 1 1 d U . .
O5 O 0.4317(11) 0.1047(10) 0.3761(9) 0.248(7) Uani 1 1 d U . .
O6 O 0.4164(10) 0.1864(8) 0.4688(7) 0.229(6) Uani 1 1 d U . .
O7 O -0.0483(3) 0.1497(3) 0.3415(2) 0.0610(12) Uani 1 1 d . . .
O8 O 0.4851(3) 0.3572(3) 0.1326(2) 0.0560(12) Uani 1 1 d . . .
C1 C 0.2596(11) 0.0596(11) 0.1447(8) 0.140(5) Uani 1 1 d U . .
C2 C 0.3413(10) 0.0604(8) 0.4547(6) 0.116(4) Uani 1 1 d . . .
C3 C 0.1158(5) 0.3443(4) 0.4093(4) 0.0617(19) Uani 1 1 d . . .
C4 C 0.1963(6) 0.3638(5) 0.4173(4) 0.075(2) Uani 1 1 d . . .
H4 H 0.2369 0.3275 0.4057 0.090 Uiso 1 1 calc R . .
C5 C 0.2182(7) 0.4358(6) 0.4420(5) 0.090(3) Uani 1 1 d . . .
H5 H 0.2738 0.4479 0.4458 0.108 Uiso 1 1 calc R . .
C6 C 0.1648(7) 0.4877(6) 0.4604(5) 0.092(3) Uani 1 1 d . . .
H6 H 0.1816 0.5367 0.4764 0.110 Uiso 1 1 calc R . .
C7 C 0.0826(8) 0.4696(6) 0.4559(6) 0.105(4) Uani 1 1 d . . .
H7 H 0.0432 0.5063 0.4691 0.126 Uiso 1 1 calc R . .
C8 C 0.0592(6) 0.3975(5) 0.4320(5) 0.086(3) Uani 1 1 d . . .
H8 H 0.0037 0.3843 0.4312 0.104 Uiso 1 1 calc R . .
C9 C 0.0272(4) 0.2021(4) 0.4360(3) 0.0540(17) Uani 1 1 d . . .
H9 H 0.0075 0.2432 0.4664 0.065 Uiso 1 1 calc R . .
C10 C 0.0705(5) 0.1403(4) 0.4782(3) 0.0591(18) Uani 1 1 d . . .
H10 H 0.1296 0.1487 0.4846 0.071 Uiso 1 1 calc R . .
C11 C 0.0201(6) 0.1364(5) 0.5407(3) 0.075(2) Uani 1 1 d . . .
H11A H 0.0464 0.1033 0.5737 0.090 Uiso 1 1 calc R . .
H11B H 0.0113 0.1887 0.5591 0.090 Uiso 1 1 calc R . .
C12 C -0.0580(6) 0.1010(5) 0.5174(4) 0.074(2) Uani 1 1 d . . .
H12A H -0.1029 0.1384 0.5221 0.089 Uiso 1 1 calc R . .
H12B H -0.0710 0.0539 0.5427 0.089 Uiso 1 1 calc R . .
C13 C -0.0443(5) 0.0804(4) 0.4448(3) 0.0615(19) Uani 1 1 d . . .
C14 C -0.0476(4) 0.1605(4) 0.4099(3) 0.0549(16) Uani 1 1 d . . .
H14 H -0.0971 0.1891 0.4236 0.066 Uiso 1 1 calc R . .
C15 C 0.0469(5) 0.0623(4) 0.4450(3) 0.0604(19) Uani 1 1 d . . .
C16 C 0.0703(6) -0.0088(5) 0.4869(5) 0.084(3) Uani 1 1 d . . .
H16A H 0.0483 -0.0560 0.4672 0.127 Uiso 1 1 calc R . .
H16B H 0.0481 -0.0026 0.5307 0.127 Uiso 1 1 calc R . .
H16C H 0.1290 -0.0128 0.4894 0.127 Uiso 1 1 calc R . .
C17 C 0.0856(6) 0.0466(4) 0.3794(4) 0.071(2) Uani 1 1 d . . .
H17A H 0.0576 0.0036 0.3581 0.107 Uiso 1 1 calc R . .
H17B H 0.1424 0.0331 0.3856 0.107 Uiso 1 1 calc R . .
H17C H 0.0816 0.0931 0.3523 0.107 Uiso 1 1 calc R . .
C18 C -0.1020(6) 0.0213(5) 0.4173(5) 0.088(3) Uani 1 1 d . . .
H18A H -0.1564 0.0431 0.4163 0.133 Uiso 1 1 calc R . .
H18B H -0.1016 -0.0252 0.4445 0.133 Uiso 1 1 calc R . .
H18C H -0.0853 0.0076 0.3731 0.133 Uiso 1 1 calc R . .
C19 C 0.0085(5) 0.2803(4) 0.3139(4) 0.0619(19) Uani 1 1 d . . .
H19 H -0.0150 0.3299 0.3303 0.074 Uiso 1 1 calc R . .
C20 C 0.0315(6) 0.2949(6) 0.2437(4) 0.088(3) Uani 1 1 d . . .
H20 H 0.0622 0.3441 0.2372 0.106 Uiso 1 1 calc R . .
C21 C 0.0716(7) 0.2262(7) 0.2146(5) 0.104(3) Uani 1 1 d U . .
H21A H 0.1163 0.2077 0.2424 0.125 Uiso 1 1 calc R . .
H21B H 0.0929 0.2382 0.1709 0.125 Uiso 1 1 calc R . .
C22 C 0.0048(8) 0.1670(7) 0.2111(4) 0.103(3) Uani 1 1 d U . .
H22A H 0.0165 0.1222 0.2396 0.124 Uiso 1 1 calc R . .
H22B H -0.0025 0.1483 0.1661 0.124 Uiso 1 1 calc R . .
C23 C -0.0724(6) 0.2120(5) 0.2352(4) 0.087(3) Uani 1 1 d . . .
C24 C -0.0621(5) 0.2224(4) 0.3094(3) 0.0611(18) Uani 1 1 d . . .
H24 H -0.1118 0.2469 0.3276 0.073 Uiso 1 1 calc R . .
C25 C -0.0526(6) 0.2955(6) 0.2114(4) 0.082(3) Uani 1 1 d . . .
C26 C -0.1118(7) 0.3575(6) 0.2339(5) 0.109(4) Uani 1 1 d . . .
H26A H -0.1024 0.4054 0.2095 0.164 Uiso 1 1 calc R . .
H26B H -0.1039 0.3674 0.2803 0.164 Uiso 1 1 calc R . .
H26C H -0.1670 0.3397 0.2264 0.164 Uiso 1 1 calc R . .
C27 C -0.0481(7) 0.3009(7) 0.1365(4) 0.110(4) Uani 1 1 d . . .
H27A H 0.0084 0.3045 0.1231 0.165 Uiso 1 1 calc R . .
H27B H -0.0773 0.3469 0.1218 0.165 Uiso 1 1 calc R . .
H27C H -0.0724 0.2545 0.1174 0.165 Uiso 1 1 calc R . .
C28 C -0.1554(8) 0.1764(8) 0.2186(6) 0.128(4) Uani 1 1 d U . .
H28A H -0.1537 0.1203 0.2258 0.192 Uiso 1 1 calc R . .
H28B H -0.1684 0.1868 0.1731 0.192 Uiso 1 1 calc R . .
H28C H -0.1968 0.1994 0.2465 0.192 Uiso 1 1 calc R . .
C29 C 0.6118(4) 0.2626(4) 0.3116(3) 0.0485(16) Uani 1 1 d . . .
C30 C 0.6704(5) 0.3193(5) 0.3203(3) 0.0615(18) Uani 1 1 d . . .
H30 H 0.6729 0.3623 0.2916 0.074 Uiso 1 1 calc R . .
C31 C 0.7250(5) 0.3131(6) 0.3708(4) 0.077(2) Uani 1 1 d . . .
H31 H 0.7646 0.3521 0.3773 0.093 Uiso 1 1 calc R . .
C32 C 0.7212(5) 0.2481(6) 0.4128(4) 0.076(2) Uani 1 1 d . . .
H32 H 0.7590 0.2428 0.4470 0.091 Uiso 1 1 calc R . .
C33 C 0.6630(6) 0.1934(5) 0.4039(4) 0.074(2) Uani 1 1 d . . .
H33 H 0.6593 0.1503 0.4324 0.088 Uiso 1 1 calc R . .
C34 C 0.6100(5) 0.2009(4) 0.3535(3) 0.0623(19) Uani 1 1 d . . .
H34 H 0.5703 0.1619 0.3473 0.075 Uiso 1 1 calc R . .
C35 C 0.5990(5) 0.2765(4) 0.1736(3) 0.0594(18) Uani 1 1 d . . .
H35 H 0.6526 0.2977 0.1869 0.071 Uiso 1 1 calc R . .
C36 C 0.6143(7) 0.2011(5) 0.1345(4) 0.082(3) Uani 1 1 d . . .
H36 H 0.6527 0.1644 0.1558 0.099 Uiso 1 1 calc R . .
C37 C 0.5354(8) 0.1641(5) 0.1141(4) 0.098(3) Uani 1 1 d . . .
H37A H 0.4981 0.1596 0.1514 0.117 Uiso 1 1 calc R . .
H37B H 0.5445 0.1120 0.0955 0.117 Uiso 1 1 calc R . .
C38 C 0.5019(7) 0.2202(5) 0.0626(4) 0.087(3) Uani 1 1 d . . .
H38A H 0.4942 0.1935 0.0206 0.105 Uiso 1 1 calc R . .
H38B H 0.4499 0.2426 0.0767 0.105 Uiso 1 1 calc R . .
C39 C 0.5668(6) 0.2829(4) 0.0573(3) 0.072(2) Uani 1 1 d . . .
C40 C 0.5633(5) 0.3320(4) 0.1203(3) 0.0554(17) Uani 1 1 d . . .
H40 H 0.5994 0.3780 0.1154 0.067 Uiso 1 1 calc R . .
C41 C 0.6459(7) 0.2357(5) 0.0683(4) 0.084(3) Uani 1 1 d . . .
C42 C 0.7229(7) 0.2842(8) 0.0741(5) 0.120(4) Uani 1 1 d . . .
H42A H 0.7093 0.3360 0.0902 0.180 Uiso 1 1 calc R . .
H42B H 0.7485 0.2887 0.0314 0.180 Uiso 1 1 calc R . .
H42C H 0.7601 0.2591 0.1044 0.180 Uiso 1 1 calc R . .
C43 C 0.6622(9) 0.1755(7) 0.0149(5) 0.129(5) Uani 1 1 d . . .
H43A H 0.6930 0.1323 0.0331 0.194 Uiso 1 1 calc R . .
H43B H 0.6931 0.1997 -0.0201 0.194 Uiso 1 1 calc R . .
H43C H 0.6109 0.1563 -0.0022 0.194 Uiso 1 1 calc R . .
C44 C 0.5617(7) 0.3317(5) -0.0039(4) 0.089(3) Uani 1 1 d . . .
H44A H 0.5641 0.2978 -0.0420 0.134 Uiso 1 1 calc R . .
H44B H 0.6069 0.3682 -0.0050 0.134 Uiso 1 1 calc R . .
H44C H 0.5109 0.3606 -0.0041 0.134 Uiso 1 1 calc R . .
C45 C 0.4970(4) 0.3708(4) 0.2532(3) 0.0510(16) Uani 1 1 d . . .
H45 H 0.5383 0.4022 0.2767 0.061 Uiso 1 1 calc R . .
C46 C 0.4154(5) 0.3826(4) 0.2883(3) 0.0614(19) Uani 1 1 d . . .
H46 H 0.4041 0.3441 0.3233 0.074 Uiso 1 1 calc R . .
C47 C 0.4164(6) 0.4691(5) 0.3117(4) 0.078(2) Uani 1 1 d . . .
H47A H 0.4672 0.4821 0.3344 0.094 Uiso 1 1 calc R . .
H47B H 0.3701 0.4809 0.3403 0.094 Uiso 1 1 calc R . .
C48 C 0.4096(6) 0.5120(4) 0.2444(4) 0.070(2) Uani 1 1 d . . .
H48A H 0.3626 0.5473 0.2439 0.084 Uiso 1 1 calc R . .
H48B H 0.4589 0.5424 0.2354 0.084 Uiso 1 1 calc R . .
C49 C 0.3991(5) 0.4470(4) 0.1943(4) 0.0636(19) Uani 1 1 d . . .
C50 C 0.4819(5) 0.4102(4) 0.1861(3) 0.0547(17) Uani 1 1 d . . .
H50 H 0.5229 0.4519 0.1794 0.066 Uiso 1 1 calc R . .
C51 C 0.3504(5) 0.3843(5) 0.2323(4) 0.069(2) Uani 1 1 d . . .
C52 C 0.2662(6) 0.4130(6) 0.2547(5) 0.096(3) Uani 1 1 d . . .
H52A H 0.2303 0.4170 0.2171 0.143 Uiso 1 1 calc R . .
H52B H 0.2715 0.4640 0.2752 0.143 Uiso 1 1 calc R . .
H52C H 0.2437 0.3762 0.2860 0.143 Uiso 1 1 calc R . .
C53 C 0.3351(5) 0.3080(5) 0.1982(5) 0.086(3) Uani 1 1 d . . .
H53A H 0.2886 0.3133 0.1693 0.128 Uiso 1 1 calc R . .
H53B H 0.3241 0.2677 0.2305 0.128 Uiso 1 1 calc R . .
H53C H 0.3826 0.2936 0.1728 0.128 Uiso 1 1 calc R . .
C54 C 0.3622(6) 0.4756(5) 0.1296(4) 0.077(2) Uani 1 1 d . . .
H54A H 0.4005 0.5099 0.1077 0.115 Uiso 1 1 calc R . .
H54B H 0.3123 0.5041 0.1385 0.115 Uiso 1 1 calc R . .
H54C H 0.3503 0.4310 0.1018 0.115 Uiso 1 1 calc R . .
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
O1 Ag1 O4 80.3(4) . . ?
O1 Ag1 P1 143.9(2) . . ?
O4 Ag1 P1 134.2(3) . . ?
O2 Ag2 P2 145.5(2) . . ?
O2 Ag2 O5 85.8(5) . . ?
P2 Ag2 O5 119.4(4) . . ?
O3 S1 O1 118.4(5) . . ?
O3 S1 O2 114.0(6) . . ?
O1 S1 O2 111.2(6) . . ?
O3 S1 C1 104.0(7) . . ?
O1 S1 C1 102.8(7) . . ?
O2 S1 C1 104.4(7) . . ?
O6 S2 O4 125.2(9) . . ?
O6 S2 O5 115.6(11) . . ?
O4 S2 O5 91.3(10) . . ?
O6 S2 C2 112.4(8) . . ?
O4 S2 C2 113.3(7) . . ?
O5 S2 C2 91.9(8) . . ?
C3 P1 C9 105.0(3) . . ?
C3 P1 C19 102.6(4) . . ?
C9 P1 C19 101.6(3) . . ?
C3 P1 Ag1 109.9(3) . . ?
C9 P1 Ag1 114.9(2) . . ?
C19 P1 Ag1 121.0(2) . . ?
C29 P2 C35 102.1(3) . . ?
C29 P2 C45 104.6(3) . . ?
C35 P2 C45 101.1(3) . . ?
C29 P2 Ag2 107.7(2) . . ?
C35 P2 Ag2 124.3(2) . . ?
C45 P2 Ag2 114.8(2) . . ?
S1 O1 Ag1 146.8(6) . . ?
S1 O2 Ag2 114.1(5) . . ?
S2 O4 Ag1 143.0(7) . . ?
S2 O5 Ag2 113.5(9) . . ?
C14 O7 C24 110.2(5) . . ?
C40 O8 C50 111.9(5) . . ?
F2 C1 F1 115.4(18) . . ?
F2 C1 F3 106.8(13) . . ?
F1 C1 F3 104.0(18) . . ?
F2 C1 S1 111.8(13) . . ?
F1 C1 S1 112.2(12) . . ?
F3 C1 S1 105.7(12) . . ?
F6 C2 F5 114.2(14) . . ?
F6 C2 F4 102.9(11) . . ?
F5 C2 F4 90.6(13) . . ?
F6 C2 S2 118.1(13) . . ?
F5 C2 S2 118.3(9) . . ?
F4 C2 S2 106.9(10) . . ?
C4 C3 C8 116.7(7) . . ?
C4 C3 P1 120.6(6) . . ?
C8 C3 P1 122.7(7) . . ?
C3 C4 C5 120.8(8) . . ?
C6 C5 C4 122.4(10) . . ?
C5 C6 C7 119.0(9) . . ?
C8 C7 C6 119.5(10) . . ?
C3 C8 C7 121.2(10) . . ?
C14 C9 C10 104.5(6) . . ?
C14 C9 P1 114.2(5) . . ?
C10 C9 P1 117.4(5) . . ?
C11 C10 C9 104.3(6) . . ?
C11 C10 C15 101.2(6) . . ?
C9 C10 C15 103.3(6) . . ?
C12 C11 C10 102.6(6) . . ?
C11 C12 C13 105.8(7) . . ?
C18 C13 C15 119.0(7) . . ?
C18 C13 C12 115.0(7) . . ?
C15 C13 C12 100.8(6) . . ?
C18 C13 C14 113.8(6) . . ?
C15 C13 C14 102.3(6) . . ?
C12 C13 C14 103.7(6) . . ?
O7 C14 C9 114.6(6) . . ?
O7 C14 C13 110.0(6) . . ?
C9 C14 C13 103.1(6) . . ?
C17 C15 C13 116.6(7) . . ?
C17 C15 C16 104.5(7) . . ?
C13 C15 C16 113.9(7) . . ?
C17 C15 C10 116.0(6) . . ?
C13 C15 C10 94.2(6) . . ?
C16 C15 C10 112.0(6) . . ?
C20 C19 C24 104.0(7) . . ?
C20 C19 P1 119.5(6) . . ?
C24 C19 P1 113.8(5) . . ?
C21 C20 C19 111.4(8) . . ?
C21 C20 C25 103.7(9) . . ?
C19 C20 C25 100.6(7) . . ?
C20 C21 C22 103.3(9) . . ?
C21 C22 C23 104.4(8) . . ?
C28 C23 C24 111.2(8) . . ?
C28 C23 C25 119.1(8) . . ?
C24 C23 C25 100.4(7) . . ?
C28 C23 C22 117.3(9) . . ?
C24 C23 C22 106.2(7) . . ?
C25 C23 C22 100.6(8) . . ?
O7 C24 C19 114.6(6) . . ?
O7 C24 C23 111.8(6) . . ?
C19 C24 C23 102.5(6) . . ?
C26 C25 C20 117.1(9) . . ?
C26 C25 C27 107.0(8) . . ?
C20 C25 C27 112.7(8) . . ?
C26 C25 C23 114.7(8) . . ?
C20 C25 C23 92.8(7) . . ?
C27 C25 C23 112.3(9) . . ?
C34 C29 C30 118.7(6) . . ?
C34 C29 P2 119.5(5) . . ?
C30 C29 P2 121.7(5) . . ?
C31 C30 C29 120.0(7) . . ?
C30 C31 C32 119.4(8) . . ?
C33 C32 C31 119.8(7) . . ?
C32 C33 C34 119.5(8) . . ?
C33 C34 C29 122.6(8) . . ?
C36 C35 C40 102.0(5) . . ?
C36 C35 P2 117.9(6) . . ?
C40 C35 P2 113.5(5) . . ?
C37 C36 C35 110.8(8) . . ?
C37 C36 C41 101.9(7) . . ?
C35 C36 C41 100.8(6) . . ?
C36 C37 C38 103.8(7) . . ?
C39 C38 C37 103.9(8) . . ?
C44 C39 C38 114.3(7) . . ?
C44 C39 C40 113.0(6) . . ?
C38 C39 C40 107.5(7) . . ?
C44 C39 C41 117.1(8) . . ?
C38 C39 C41 102.2(7) . . ?
C40 C39 C41 101.3(6) . . ?
O8 C40 C39 111.0(6) . . ?
O8 C40 C35 114.4(6) . . ?
C39 C40 C35 103.8(5) . . ?
C42 C41 C43 106.2(10) . . ?
C42 C41 C39 115.3(8) . . ?
C43 C41 C39 113.4(8) . . ?
C42 C41 C36 114.6(8) . . ?
C43 C41 C36 114.9(8) . . ?
C39 C41 C36 92.4(7) . . ?
C46 C45 C50 102.5(6) . . ?
C46 C45 P2 117.3(4) . . ?
C50 C45 P2 113.8(4) . . ?
C45 C46 C47 105.1(6) . . ?
C45 C46 C51 105.0(6) . . ?
C47 C46 C51 102.4(6) . . ?
C46 C47 C48 100.1(6) . . ?
C49 C48 C47 104.9(6) . . ?
C50 C49 C48 106.1(6) . . ?
C50 C49 C54 113.3(7) . . ?
C48 C49 C54 113.1(6) . . ?
C50 C49 C51 103.5(6) . . ?
C48 C49 C51 103.1(6) . . ?
C54 C49 C51 116.6(7) . . ?
O8 C50 C49 112.6(6) . . ?
O8 C50 C45 113.5(5) . . ?
C49 C50 C45 103.2(6) . . ?
C53 C51 C52 105.3(7) . . ?
C53 C51 C49 117.2(7) . . ?
C52 C51 C49 113.2(7) . . ?
C53 C51 C46 116.0(6) . . ?
C52 C51 C46 113.7(7) . . ?
C49 C51 C46 91.5(6) . . ?
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 2.252(6) . ?
Ag1 O4 2.314(10) . ?
Ag1 P1 2.3604(19) . ?
Ag2 O2 2.376(8) . ?
Ag2 P2 2.3889(18) . ?
Ag2 O5 2.547(17) . ?
S1 O3 1.385(7) . ?
S1 O1 1.411(6) . ?
S1 O2 1.414(7) . ?
S1 C1 1.817(17) . ?
S2 O6 1.297(11) . ?
S2 O4 1.313(9) . ?
S2 O5 1.522(16) . ?
S2 C2 1.725(14) . ?
P1 C3 1.823(8) . ?
P1 C9 1.849(7) . ?
P1 C19 1.859(8) . ?
P2 C29 1.836(6) . ?
P2 C35 1.847(8) . ?
P2 C45 1.863(7) . ?
F1 C1 1.253(18) . ?
F2 C1 1.244(16) . ?
F3 C1 1.352(19) . ?
F4 C2 1.446(17) . ?
F5 C2 1.247(15) . ?
F6 C2 1.200(14) . ?
O7 C14 1.423(8) . ?
O7 C24 1.436(8) . ?
O8 C40 1.394(9) . ?
O8 C50 1.433(8) . ?
C3 C4 1.388(12) . ?
C3 C8 1.395(12) . ?
C4 C5 1.392(13) . ?
C5 C6 1.317(14) . ?
C6 C7 1.402(16) . ?
C7 C8 1.395(13) . ?
C9 C14 1.532(10) . ?
C9 C10 1.554(10) . ?
C10 C11 1.538(11) . ?
C10 C15 1.561(10) . ?
C11 C12 1.513(12) . ?
C12 C13 1.557(11) . ?
C13 C18 1.510(11) . ?
C13 C15 1.547(12) . ?
C13 C14 1.559(10) . ?
C15 C17 1.520(11) . ?
C15 C16 1.551(10) . ?
C19 C20 1.519(11) . ?
C19 C24 1.544(11) . ?
C20 C21 1.485(13) . ?
C20 C25 1.547(14) . ?
C21 C22 1.510(16) . ?
C22 C23 1.579(14) . ?
C23 C28 1.548(16) . ?
C23 C24 1.551(11) . ?
C23 C25 1.558(13) . ?
C25 C26 1.526(12) . ?
C25 C27 1.548(12) . ?
C29 C34 1.371(9) . ?
C29 C30 1.391(10) . ?
C30 C31 1.385(11) . ?
C31 C32 1.419(13) . ?
C32 C33 1.364(12) . ?
C33 C34 1.369(11) . ?
C35 C36 1.552(10) . ?
C35 C40 1.574(10) . ?
C36 C37 1.516(16) . ?
C36 C41 1.581(13) . ?
C37 C38 1.541(13) . ?
C38 C39 1.531(13) . ?
C39 C44 1.520(10) . ?
C39 C40 1.550(9) . ?
C39 C41 1.563(13) . ?
C41 C42 1.534(16) . ?
C41 C43 1.536(12) . ?
C45 C46 1.550(11) . ?
C45 C50 1.563(9) . ?
C46 C47 1.568(11) . ?
C46 C51 1.580(11) . ?
C47 C48 1.577(11) . ?
C48 C49 1.535(10) . ?
C49 C50 1.525(11) . ?
C49 C54 1.548(11) . ?
C49 C51 1.562(11) . ?
C51 C53 1.515(12) . ?
C51 C52 1.554(12) . ?
