#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/11/2231153.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2231153
loop_
_publ_author_name
'Tang, Li-ping'
'Jia, Chen'
'Huang, Li-li'
'Xie, Jia-Li'
_publ_section_title
;
 Bis[μ₂-bis(diphenylphosphanyl)methane-κ²P:P']bis(μ₄-diphenylphosphinato-κ⁴O:O:O':O')bis[μ₂-trifluoromethanesulfonato(0.546/0.454)]-κ²O:O';κ²O:O-tetrasilver(I)
 acetonitrile disolvate
;
_journal_coeditor_code           HY2447
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1141
_journal_page_last               m1142
_journal_paper_doi               10.1107/S160053681102931X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Ag4 (C12 H10 O2 P)2 (C F3 O3 S)2 (C25 H22 P2)2], 2C2 H3 N'
_chemical_formula_moiety         'C76 H64 Ag4 F6 O10 P6 S2, 2(C2 H3 N)'
_chemical_formula_sum            'C80 H70 Ag4 F6 N2 O10 P6 S2'
_chemical_formula_weight         2014.80
_chemical_name_systematic
;
Bis[μ₂-bis(diphenylphosphanyl)methane-κ²P:P']bis(μ₄-
diphenylphosphinato-κ⁴O:O:O':O')bis[μ₂-
trifluoromethanesulfonato(0.546/0.454)]-
κ²O:O';κ²O:O-tetrasilver(I) acetonitrile
disolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 96.967(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.730(7)
_cell_length_b                   15.169(9)
_cell_length_c                   23.688(12)
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.6
_cell_volume                     4184(4)
_computing_cell_refinement       'CrystalClear (Rigaku, 2005)'
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_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  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            41763
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  0.8365
_exptl_absorpt_correction_T_min  0.7768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2005)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.608
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         9645
_refine_ls_number_restraints     1173
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0550
_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)+(0.0595P)²+6.7650P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1335
_refine_ls_wR_factor_ref         0.1443
_reflns_number_gt                7705
_reflns_number_total             9645
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hy2447.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2231153
_cod_database_fobs_code          2231153
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag1 0.47428(3) 0.41739(2) 0.415893(15) 0.05183(11) Uani d . 1 1 . .
Ag Ag2 0.33273(3) 0.42158(2) 0.526552(16) 0.05416(12) Uani d . 1 1 . .
P P1 0.37541(9) 0.60694(7) 0.45735(5) 0.0427(2) Uani d . 1 1 . .
P P2 0.37149(10) 0.28791(7) 0.38828(5) 0.0456(2) Uani d . 1 1 A .
P P3 0.24066(9) 0.28840(7) 0.49519(5) 0.0461(2) Uani d . 1 1 . .
O O1 0.4690(2) 0.5658(2) 0.42767(13) 0.0487(7) Uani d . 1 1 . .
O O2 0.3558(3) 0.56941(19) 0.51457(13) 0.0501(7) Uani d . 1 1 . .
C C1 0.4054(4) 0.7227(3) 0.46521(19) 0.0502(10) Uani d . 1 1 A .
C C2 0.3628(5) 0.7712(4) 0.5078(3) 0.0739(16) Uani d . 1 1 . .
H H2A 0.3261 0.7437 0.5357 0.089 Uiso calc R 1 1 A .
C C3 0.3774(6) 0.8633(5) 0.5072(4) 0.102(3) Uani d . 1 1 A .
H H3A 0.3496 0.8973 0.5352 0.122 Uiso calc R 1 1 . .
C C4 0.4314(8) 0.9038(5) 0.4663(5) 0.115(3) Uani d . 1 1 . .
H H4A 0.4380 0.9648 0.4659 0.138 Uiso calc R 1 1 A .
C C5 0.4748(7) 0.8553(5) 0.4268(4) 0.105(3) Uani d . 1 1 A .
H H5A 0.5139 0.8835 0.4000 0.126 Uiso calc R 1 1 . .
C C6 0.4632(5) 0.7655(4) 0.4246(2) 0.0687(14) Uani d . 1 1 . .
H H6A 0.4934 0.7332 0.3965 0.082 Uiso calc R 1 1 A .
C C7 0.2421(4) 0.6076(3) 0.41141(19) 0.0499(10) Uani d . 1 1 A .
C C8 0.2426(6) 0.6155(5) 0.3537(2) 0.093(2) Uani d . 1 1 . .
H H8A 0.3109 0.6132 0.3375 0.111 Uiso calc R 1 1 A .
C C9 0.1359(7) 0.6272(7) 0.3197(3) 0.127(3) Uani d . 1 1 A .
H H9A 0.1348 0.6358 0.2807 0.153 Uiso calc R 1 1 . .
C C10 0.0358(6) 0.6261(6) 0.3424(4) 0.109(3) Uani d . 1 1 . .
H H10A -0.0337 0.6299 0.3190 0.131 Uiso calc R 1 1 A .
C C11 0.0372(5) 0.6195(5) 0.3986(3) 0.091(2) Uani d . 1 1 A .
H H11A -0.0316 0.6204 0.4143 0.109 Uiso calc R 1 1 . .
C C12 0.1395(4) 0.6114(4) 0.4336(3) 0.0700(14) Uani d . 1 1 . .
H H12A 0.1389 0.6085 0.4728 0.084 Uiso calc R 1 1 A .
C C13 0.4580(4) 0.2064(3) 0.35683(19) 0.0542(11) Uani d . 1 1 . .
C C14 0.5547(5) 0.2354(5) 0.3329(3) 0.0808(17) Uani d . 1 1 A .
H H14A 0.5737 0.2949 0.3343 0.097 Uiso calc R 1 1 . .
C C15 0.6219(6) 0.1770(7) 0.3075(3) 0.103(2) Uani d . 1 1 . .
H H15A 0.6856 0.1973 0.2916 0.124 Uiso calc R 1 1 A .
C C16 0.5964(8) 0.0908(6) 0.3056(3) 0.106(3) Uani d . 1 1 A .
H H16A 0.6424 0.0519 0.2882 0.127 Uiso calc R 1 1 . .
C C17 0.5038(8) 0.0600(4) 0.3288(3) 0.100(3) Uani d . 1 1 . .
H H17A 0.4877 -0.0001 0.3277 0.121 Uiso calc R 1 1 A .
C C18 0.4324(6) 0.1178(4) 0.3544(2) 0.0771(16) Uani d . 1 1 A .
H H18A 0.3683 0.0965 0.3696 0.093 Uiso calc R 1 1 . .
C C19 0.3169(4) 0.2252(3) 0.44563(18) 0.0484(9) Uani d . 1 1 A .
H H19A 0.2655 0.1799 0.4285 0.058 Uiso calc R 1 1 . .
H H19B 0.3813 0.1956 0.4673 0.058 Uiso calc R 1 1 . .
C C20 0.2295(4) 0.2085(3) 0.5520(2) 0.0575(11) Uani d . 1 1 A .
C C21 0.2167(6) 0.1196(4) 0.5430(3) 0.0844(18) Uani d . 1 1 . .
H H21A 0.2140 0.0969 0.5064 0.101 Uiso calc R 1 1 A .
C C22 0.2077(7) 0.0631(5) 0.5885(4) 0.111(3) Uani d . 1 1 A .
H H22A 0.1982 0.0029 0.5820 0.134 Uiso calc R 1 1 . .
C C23 0.2127(8) 0.0948(6) 0.6421(4) 0.125(4) Uani d . 1 1 . .
H H23A 0.2080 0.0566 0.6725 0.150 Uiso calc R 1 1 A .
C C24 0.2245(7) 0.1826(7) 0.6513(3) 0.109(3) Uani d . 1 1 A .
H H24A 0.2267 0.2043 0.6881 0.130 Uiso calc R 1 1 . .
C C25 0.2334(5) 0.2407(5) 0.6069(2) 0.0773(16) Uani d . 1 1 . .
H H25A 0.2418 0.3009 0.6139 0.093 Uiso calc R 1 1 A .
C C26 0.0955(4) 0.2986(3) 0.4593(2) 0.0548(11) Uani d D 1 1 A .
C C27 0.0297(6) 0.2276(5) 0.4417(4) 0.122(3) Uani d . 1 1 . .
H H27A 0.0580 0.1710 0.4492 0.146 Uiso calc R 1 1 A .
C C28 -0.0801(6) 0.2391(6) 0.4125(5) 0.135(4) Uani d . 1 1 A .
H H28A -0.1246 0.1900 0.4013 0.162 Uiso calc R 1 1 . .
C C29 -0.1217(5) 0.3196(6) 0.4006(3) 0.094(2) Uani d . 1 1 . .
H H29A -0.1938 0.3267 0.3800 0.112 Uiso calc R 1 1 A .
C C30 -0.0595(6) 0.3893(5) 0.4184(4) 0.107(3) Uani d . 1 1 A .
H H30A -0.0897 0.4453 0.4110 0.128 Uiso calc R 1 1 . .
C C31 0.0496(5) 0.3807(4) 0.4478(3) 0.0821(18) Uani d D 1 1 . .
H H31A 0.0917 0.4307 0.4597 0.099 Uiso calc R 1 1 A .
C C32 0.2483(6) 0.3084(5) 0.3333(3) 0.062(2) Uani d PGU 0.546(4) 1 A 1
C C33 0.1831(7) 0.3845(5) 0.3358(3) 0.083(3) Uani d PGU 0.546(4) 1 A 1
H H33A 0.2057 0.4275 0.3628 0.100 Uiso calc PR 0.546(4) 1 A 1
C C34 0.0843(7) 0.3964(5) 0.2978(4) 0.092(3) Uani d PGU 0.546(4) 1 A 1
H H34A 0.0407 0.4473 0.2994 0.111 Uiso calc PR 0.546(4) 1 A 1
C C35 0.0506(7) 0.3321(6) 0.2574(4) 0.109(3) Uani d PGU 0.546(4) 1 A 1
H H35A -0.0155 0.3400 0.2320 0.131 Uiso calc PR 0.546(4) 1 A 1
C C36 0.1158(8) 0.2560(6) 0.2549(4) 0.107(3) Uani d PGU 0.546(4) 1 A 1
H H36A 0.0932 0.2130 0.2278 0.129 Uiso calc PR 0.546(4) 1 A 1
C C37 0.2146(8) 0.2441(5) 0.2928(4) 0.102(3) Uani d PGU 0.546(4) 1 A 1
H H37A 0.2582 0.1932 0.2912 0.122 Uiso calc PR 0.546(4) 1 A 1
C C32A 0.2485(8) 0.3032(7) 0.3374(4) 0.069(3) Uani d PGU 0.454(4) 1 A 2
C C33A 0.2426(9) 0.3856(7) 0.3116(5) 0.106(3) Uani d PGU 0.454(4) 1 A 2
H H33B 0.3025 0.4256 0.3196 0.127 Uiso calc PR 0.454(4) 1 A 2
C C34A 0.1473(11) 0.4083(6) 0.2737(5) 0.109(3) Uani d PGU 0.454(4) 1 A 2
H H34B 0.1433 0.4634 0.2564 0.131 Uiso calc PR 0.454(4) 1 A 2
C C35A 0.0578(9) 0.3486(7) 0.2616(5) 0.109(3) Uani d PGU 0.454(4) 1 A 2
H H35B -0.0061 0.3637 0.2363 0.131 Uiso calc PR 0.454(4) 1 A 2
C C36A 0.0636(8) 0.2661(7) 0.2875(5) 0.095(3) Uani d PGU 0.454(4) 1 A 2
H H36B 0.0037 0.2262 0.2794 0.114 Uiso calc PR 0.454(4) 1 A 2
C C37A 0.1590(9) 0.2435(6) 0.3254(4) 0.087(3) Uani d PGU 0.454(4) 1 A 2
H H37B 0.1629 0.1883 0.3426 0.104 Uiso calc PR 0.454(4) 1 A 2
S S3 0.6892(4) 0.4984(3) 0.3233(2) 0.0534(9) Uani d PDU 0.546(4) 1 A 1
F F1 0.5949(11) 0.5743(8) 0.2281(4) 0.129(3) Uani d PDU 0.546(4) 1 A 1
F F2 0.4775(11) 0.5059(10) 0.2761(5) 0.171(4) Uani d PDU 0.546(4) 1 A 1
F F3 0.5531(10) 0.6323(7) 0.3112(4) 0.116(3) Uani d PDU 0.546(4) 1 A 1
O O3 0.6061(8) 0.4384(7) 0.3385(4) 0.105(2) Uani d PDU 0.546(4) 1 A 1
O O4 0.7736(8) 0.4696(7) 0.2896(4) 0.089(2) Uani d PDU 0.546(4) 1 A 1
O O5 0.7325(7) 0.5485(6) 0.3733(3) 0.090(2) Uani d PDU 0.546(4) 1 A 1
C C38 0.5805(10) 0.5538(7) 0.2844(4) 0.112(3) Uani d PDU 0.546(4) 1 A 1
S S3B 0.6771(9) 0.5015(6) 0.3148(4) 0.101(3) Uani d PDU 0.454(4) 1 A 2
F F1B 0.5476(12) 0.5333(11) 0.2273(6) 0.128(4) Uani d PDU 0.454(4) 1 A 2
F F2B 0.6761(10) 0.6489(7) 0.2723(5) 0.131(3) Uani d PDU 0.454(4) 1 A 2
F F3B 0.4952(11) 0.5877(11) 0.2957(6) 0.128(4) Uani d PDU 0.454(4) 1 A 2
O O3B 0.6535(9) 0.4851(8) 0.3711(4) 0.085(3) Uani d PDU 0.454(4) 1 A 2
O O4B 0.7099(14) 0.4260(9) 0.2841(5) 0.113(3) Uani d PDU 0.454(4) 1 A 2
O O5B 0.7712(12) 0.5619(10) 0.3130(6) 0.139(4) Uani d PDU 0.454(4) 1 A 2
C C38B 0.6009(10) 0.5791(9) 0.2748(6) 0.112(4) Uani d PDU 0.454(4) 1 A 2
N N1 0.1746(8) 1.0190(5) 0.4011(4) 0.148(3) Uani d DU 1 1 B .
C C39 0.1507(8) 0.9478(8) 0.3896(6) 0.163(5) Uani d U 1 1 . .
C C40A 0.150(2) 0.8812(15) 0.3496(14) 0.212(9) Uani d PDU 0.50 1 B 1
H H40A 0.2094 0.8395 0.3615 0.318 Uiso calc PR 0.50 1 B 1
H H40B 0.1624 0.9060 0.3135 0.318 Uiso calc PR 0.50 1 B 1
H H40C 0.0767 0.8518 0.3459 0.318 Uiso calc PR 0.50 1 B 1
C C40B 0.1071(16) 0.8694(11) 0.4110(12) 0.162(7) Uani d PDU 0.50 1 B 2
H H40D 0.0406 0.8506 0.3863 0.243 Uiso calc PR 0.50 1 B 2
H H40E 0.0863 0.8799 0.4484 0.243 Uiso calc PR 0.50 1 B 2
H H40F 0.1649 0.8243 0.4129 0.243 Uiso calc PR 0.50 1 B 2
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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Ag1 P2 . . 147.19(8)
O1 Ag1 O2 . 3_666 82.38(10)
P2 Ag1 O2 . 3_666 127.29(8)
O1 Ag1 O3 . . 89.6(2)
P2 Ag1 O3 . . 103.8(2)
O2 Ag1 O3 3_666 . 87.6(3)
O1 Ag1 Ag2 . . 81.85(8)
P2 Ag1 Ag2 . . 86.92(4)
O2 Ag1 Ag2 3_666 . 84.82(9)
O3 Ag1 Ag2 . . 169.2(2)
O2 Ag2 P3 . . 148.93(8)
O2 Ag2 O1 . 3_666 81.83(10)
P3 Ag2 O1 . 3_666 125.28(8)
O2 Ag2 Ag1 . . 80.79(8)
P3 Ag2 Ag1 . . 89.34(4)
O1 Ag2 Ag1 3_666 . 79.01(8)
O1 P1 O2 . . 117.39(19)
O1 P1 C7 . . 110.5(2)
O2 P1 C7 . . 109.2(2)
O1 P1 C1 . . 107.9(2)
O2 P1 C1 . . 108.9(2)
C7 P1 C1 . . 101.7(2)
C32A P2 C13 . . 105.0(4)
C32A P2 C19 . . 104.0(4)
C13 P2 C19 . . 102.3(2)
C13 P2 C32 . . 104.6(3)
C19 P2 C32 . . 107.2(3)
C32A P2 Ag1 . . 115.2(3)
C13 P2 Ag1 . . 112.91(17)
C19 P2 Ag1 . . 116.07(15)
C32 P2 Ag1 . . 112.7(3)
C26 P3 C20 . . 104.8(2)
C26 P3 C19 . . 104.3(2)
C20 P3 C19 . . 102.1(2)
C26 P3 Ag2 . . 116.15(16)
C20 P3 Ag2 . . 113.91(18)
C19 P3 Ag2 . . 114.10(14)
P1 O1 Ag1 . . 119.96(17)
P1 O1 Ag2 . 3_666 117.81(16)
Ag1 O1 Ag2 . 3_666 95.36(10)
P1 O2 Ag2 . . 120.97(17)
P1 O2 Ag1 . 3_666 111.96(17)
Ag2 O2 Ag1 . 3_666 95.53(10)
C2 C1 C6 . . 120.0(5)
C2 C1 P1 . . 120.6(4)
C6 C1 P1 . . 119.1(4)
C1 C2 C3 . . 117.6(7)
C1 C2 H2A . . 121.2
C3 C2 H2A . . 121.2
C4 C3 C2 . . 121.3(7)
C4 C3 H3A . . 119.3
C2 C3 H3A . . 119.3
C5 C4 C3 . . 119.9(7)
C5 C4 H4A . . 120.1
C3 C4 H4A . . 120.1
C4 C5 C6 . . 121.9(8)
C4 C5 H5A . . 119.1
C6 C5 H5A . . 119.1
C5 C6 C1 . . 119.2(7)
C5 C6 H6A . . 120.4
C1 C6 H6A . . 120.4
C12 C7 C8 . . 119.2(5)
C12 C7 P1 . . 120.6(4)
C8 C7 P1 . . 119.7(4)
C7 C8 C9 . . 117.9(7)
C7 C8 H8A . . 121.1
C9 C8 H8A . . 121.1
C10 C9 C8 . . 121.6(7)
C10 C9 H9A . . 119.2
C8 C9 H9A . . 119.2
C11 C10 C9 . . 119.5(6)
C11 C10 H10A . . 120.2
C9 C10 H10A . . 120.2
C10 C11 C12 . . 120.8(7)
C10 C11 H11A . . 119.6
C12 C11 H11A . . 119.6
C7 C12 C11 . . 120.9(6)
C7 C12 H12A . . 119.6
C11 C12 H12A . . 119.6
C18 C13 C14 . . 118.3(5)
C18 C13 P2 . . 123.5(4)
C14 C13 P2 . . 118.2(4)
C15 C14 C13 . . 120.8(7)
C15 C14 H14A . . 119.6
C13 C14 H14A . . 119.6
C16 C15 C14 . . 120.4(8)
C16 C15 H15A . . 119.8
C14 C15 H15A . . 119.8
C15 C16 C17 . . 120.5(7)
C15 C16 H16A . . 119.7
C17 C16 H16A . . 119.7
C16 C17 C18 . . 120.6(7)
C16 C17 H17A . . 119.7
C18 C17 H17A . . 119.7
C13 C18 C17 . . 119.4(7)
C13 C18 H18A . . 120.3
C17 C18 H18A . . 120.3
P3 C19 P2 . . 116.4(2)
P3 C19 H19A . . 108.2
P2 C19 H19A . . 108.2
P3 C19 H19B . . 108.2
P2 C19 H19B . . 108.2
H19A C19 H19B . . 107.3
C21 C20 C25 . . 118.9(5)
C21 C20 P3 . . 123.7(4)
C25 C20 P3 . . 117.4(4)
C20 C21 C22 . . 120.2(7)
C20 C21 H21A . . 119.9
C22 C21 H21A . . 119.9
C23 C22 C21 . . 120.6(8)
C23 C22 H22A . . 119.7
C21 C22 H22A . . 119.7
C24 C23 C22 . . 119.5(7)
C24 C23 H23A . . 120.2
C22 C23 H23A . . 120.2
C23 C24 C25 . . 121.3(8)
C23 C24 H24A . . 119.3
C25 C24 H24A . . 119.3
C20 C25 C24 . . 119.4(7)
C20 C25 H25A . . 120.3
C24 C25 H25A . . 120.3
C27 C26 C31 . . 117.6(5)
C27 C26 P3 . . 122.8(4)
C31 C26 P3 . . 119.6(4)
C26 C27 C28 . . 120.5(7)
C26 C27 H27A . . 119.7
C28 C27 H27A . . 119.7
C29 C28 C27 . . 120.8(7)
C29 C28 H28A . . 119.6
C27 C28 H28A . . 119.6
C30 C29 C28 . . 119.3(6)
C30 C29 H29A . . 120.3
C28 C29 H29A . . 120.3
C29 C30 C31 . . 121.7(7)
C29 C30 H30A . . 119.2
C31 C30 H30A . . 119.2
C26 C31 C30 . . 120.1(6)
C26 C31 H31A . . 120.0
C30 C31 H31A . . 120.0
C33 C32 C37 . . 120.0
C33 C32 P2 . . 119.7(4)
C37 C32 P2 . . 120.0(4)
C32 C33 C34 . . 120.0
C32 C33 H33A . . 120.0
C34 C33 H33A . . 120.0
C33 C34 C35 . . 120.0
C33 C34 H34A . . 120.0
C35 C34 H34A . . 120.0
C36 C35 C34 . . 120.0
C36 C35 H35A . . 120.0
C34 C35 H35A . . 120.0
C35 C36 C37 . . 120.0
C35 C36 H36A . . 120.0
C37 C36 H36A . . 120.0
C36 C37 C32 . . 120.0
C36 C37 H37A . . 120.0
C32 C37 H37A . . 120.0
C33A C32A C37A . . 120.0
C33A C32A P2 . . 114.1(6)
C37A C32A P2 . . 125.8(6)
C34A C33A C32A . . 120.0
C34A C33A H33B . . 120.0
C32A C33A H33B . . 120.0
C33A C34A C35A . . 120.0
C33A C34A H34B . . 120.0
C35A C34A H34B . . 120.0
C36A C35A C34A . . 120.0
C36A C35A H35B . . 120.0
C34A C35A H35B . . 120.0
C37A C36A C35A . . 120.0
C37A C36A H36B . . 120.0
C35A C36A H36B . . 120.0
C36A C37A C32A . . 120.0
C36A C37A H37B . . 120.0
C32A C37A H37B . . 120.0
O3 S3 O4 . . 119.8(7)
O3 S3 O5 . . 108.4(7)
O4 S3 O5 . . 115.1(7)
O3 S3 C38 . . 87.8(7)
O4 S3 C38 . . 112.1(6)
O5 S3 C38 . . 110.4(6)
S3 O3 Ag1 . . 139.4(7)
F1 C38 F2 . . 100.5(10)
F1 C38 F3 . . 107.5(10)
F2 C38 F3 . . 105.2(10)
F1 C38 S3 . . 117.2(8)
F2 C38 S3 . . 113.3(9)
F3 C38 S3 . . 111.8(8)
O3B S3B O4B . . 115.6(10)
O3B S3B O5B . . 112.3(10)
O4B S3B O5B . . 103.8(11)
O3B S3B C38B . . 119.9(8)
O4B S3B C38B . . 115.2(9)
O5B S3B C38B . . 84.0(9)
F2B C38B F3B . . 122.8(14)
F2B C38B F1B . . 124.6(13)
F3B C38B F1B . . 90.2(12)
F2B C38B S3B . . 105.0(9)
F3B C38B S3B . . 107.3(10)
F1B C38B S3B . . 104.9(11)
N1 C39 C40A . . 147(2)
N1 C39 C40B . . 143(2)
C40A C39 C40B . . 70.0(17)
C39 C40A H40A . . 109.5
C39 C40A H40B . . 109.5
C39 C40A H40C . . 109.5
C39 C40B H40D . . 109.5
C39 C40B H40E . . 109.5
H40D C40B H40E . . 109.5
C39 C40B H40F . . 109.5
H40D C40B H40F . . 109.5
H40E C40B H40F . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 O1 . 2.270(3) y
Ag1 O2 3_666 2.435(3) y
Ag1 O3 . 2.557(8) y
Ag1 O3B . 2.672(11) y
Ag1 P2 . 2.3554(15) y
Ag2 O1 3_666 2.451(3) y
Ag2 O2 . 2.280(3) y
Ag2 O5 3_666 2.619(8) y
Ag2 O3B 3_666 2.795(10) y
Ag2 P3 . 2.3676(16) y
Ag1 Ag2 . 3.2692(14) ?
P1 O1 . 1.509(3) ?
P1 O2 . 1.513(3) ?
P1 C7 . 1.794(4) ?
P1 C1 . 1.796(5) ?
P2 C32A . 1.779(7) ?
P2 C13 . 1.816(5) ?
P2 C19 . 1.836(4) ?
P2 C32 . 1.851(6) ?
P3 C26 . 1.815(5) ?
P3 C20 . 1.827(5) ?
P3 C19 . 1.831(5) ?
C1 C2 . 1.389(7) ?
C1 C6 . 1.402(7) ?
C2 C3 . 1.409(9) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.366(12) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.337(12) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.370(9) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C12 . 1.371(7) ?
C7 C8 . 1.373(7) ?
C8 C9 . 1.415(9) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.350(11) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.332(10) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.379(7) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 C18 . 1.376(7) ?
C13 C14 . 1.399(8) ?
C14 C15 . 1.372(9) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.340(12) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.359(12) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.401(9) ?
C17 H17A . 0.9300 ?
C18 H18A . 0.9300 ?
C19 H19A . 0.9700 ?
C19 H19B . 0.9700 ?
C20 C21 . 1.372(8) ?
C20 C25 . 1.385(8) ?
C21 C22 . 1.390(9) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.353(13) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.353(13) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.386(9) ?
C24 H24A . 0.9300 ?
C25 H25A . 0.9300 ?
C26 C27 . 1.360(8) ?
C26 C31 . 1.371(5) ?
C27 C28 . 1.396(9) ?
C27 H27A . 0.9300 ?
C28 C29 . 1.333(11) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.324(10) ?
C29 H29A . 0.9300 ?
C30 C31 . 1.387(8) ?
C30 H30A . 0.9300 ?
C31 H31A . 0.9300 ?
C32 C33 . 1.3900 ?
C32 C37 . 1.3900 ?
C33 C34 . 1.3900 ?
C33 H33A . 0.9300 ?
C34 C35 . 1.3900 ?
C34 H34A . 0.9300 ?
C35 C36 . 1.3900 ?
C35 H35A . 0.9300 ?
C36 C37 . 1.3900 ?
C36 H36A . 0.9300 ?
C37 H37A . 0.9300 ?
C32A C33A . 1.3900 ?
C32A C37A . 1.3900 ?
C33A C34A . 1.3900 ?
C33A H33B . 0.9300 ?
C34A C35A . 1.3900 ?
C34A H34B . 0.9300 ?
C35A C36A . 1.3900 ?
C35A H35B . 0.9300 ?
C36A C37A . 1.3900 ?
C36A H36B . 0.9300 ?
C37A H37B . 0.9300 ?
S3 O3 . 1.412(8) ?
S3 O4 . 1.415(6) ?
S3 O5 . 1.446(7) ?
S3 C38 . 1.702(10) ?
F1 C38 . 1.399(8) ?
F2 C38 . 1.402(8) ?
F3 C38 . 1.405(8) ?
S3B O3B . 1.416(9) ?
S3B O4B . 1.434(8) ?
S3B O5B . 1.439(8) ?
S3B C38B . 1.696(12) ?
F1B C38B . 1.403(8) ?
F2B C38B . 1.384(8) ?
F3B C38B . 1.396(8) ?
N1 C39 . 1.141(11) ?
C39 C40A . 1.39(2) ?
C39 C40B . 1.413(19) ?
C40A H40A . 0.9600 ?
C40A H40B . 0.9600 ?
C40A H40C . 0.9600 ?
C40B H40D . 0.9600 ?
C40B H40E . 0.9600 ?
C40B H40F . 0.9600 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O1 Ag1 Ag2 O2 . . 0.50(10)
P2 Ag1 Ag2 O2 . . -148.59(8)
O2 Ag1 Ag2 O2 3_666 . 83.53(11)
O3 Ag1 Ag2 O2 . . 38.0(13)
O1 Ag1 Ag2 P3 . . 150.92(8)
P2 Ag1 Ag2 P3 . . 1.83(4)
O2 Ag1 Ag2 P3 3_666 . -126.06(8)
O3 Ag1 Ag2 P3 . . -171.6(13)
O1 Ag1 Ag2 O1 . 3_666 -82.88(11)
P2 Ag1 Ag2 O1 . 3_666 128.03(8)
O2 Ag1 Ag2 O1 3_666 3_666 0.14(10)
O3 Ag1 Ag2 O1 . 3_666 -45.4(13)
O1 Ag1 P2 C32A . . 27.5(5)
O2 Ag1 P2 C32A 3_666 . 178.4(5)
O3 Ag1 P2 C32A . . -84.0(5)
Ag2 Ag1 P2 C32A . . 97.3(5)
O1 Ag1 P2 C13 . . 148.0(2)
O2 Ag1 P2 C13 3_666 . -61.1(2)
O3 Ag1 P2 C13 . . 36.6(3)
Ag2 Ag1 P2 C13 . . -142.17(16)
O1 Ag1 P2 C19 . . -94.3(2)
O2 Ag1 P2 C19 3_666 . 56.58(19)
O3 Ag1 P2 C19 . . 154.2(3)
Ag2 Ag1 P2 C19 . . -24.53(16)
O1 Ag1 P2 C32 . . 29.8(4)
O2 Ag1 P2 C32 3_666 . -179.4(3)
O3 Ag1 P2 C32 . . -81.7(4)
Ag2 Ag1 P2 C32 . . 99.5(3)
O2 Ag2 P3 C26 . . -30.1(3)
O1 Ag2 P3 C26 3_666 . -176.92(19)
Ag1 Ag2 P3 C26 . . -100.90(18)
O2 Ag2 P3 C20 . . -152.0(2)
O1 Ag2 P3 C20 3_666 . 61.20(19)
Ag1 Ag2 P3 C20 . . 137.22(17)
O2 Ag2 P3 C19 . . 91.3(2)
O1 Ag2 P3 C19 3_666 . -55.48(19)
Ag1 Ag2 P3 C19 . . 20.54(16)
O2 P1 O1 Ag1 . . 51.1(2)
C7 P1 O1 Ag1 . . -75.0(2)
C1 P1 O1 Ag1 . . 174.54(18)
O2 P1 O1 Ag2 . 3_666 -64.2(2)
C7 P1 O1 Ag2 . 3_666 169.74(19)
C1 P1 O1 Ag2 . 3_666 59.3(2)
P2 Ag1 O1 P1 . . 46.6(3)
O2 Ag1 O1 P1 3_666 . -110.4(2)
O3 Ag1 O1 P1 . . 162.0(3)
Ag2 Ag1 O1 P1 . . -24.58(17)
P2 Ag1 O1 Ag2 . 3_666 173.13(7)
O2 Ag1 O1 Ag2 3_666 3_666 16.11(11)
O3 Ag1 O1 Ag2 . 3_666 -71.5(3)
Ag2 Ag1 O1 Ag2 . 3_666 101.93(9)
O1 P1 O2 Ag2 . . -50.8(3)
C7 P1 O2 Ag2 . . 75.9(2)
C1 P1 O2 Ag2 . . -173.76(18)
O1 P1 O2 Ag1 . 3_666 60.5(2)
C7 P1 O2 Ag1 . 3_666 -172.76(17)
C1 P1 O2 Ag1 . 3_666 -62.5(2)
P3 Ag2 O2 P1 . . -49.5(3)
O1 Ag2 O2 P1 3_666 . 103.7(2)
Ag1 Ag2 O2 P1 . . 23.58(18)
P3 Ag2 O2 Ag1 . 3_666 -169.22(8)
O1 Ag2 O2 Ag1 3_666 3_666 -16.06(11)
Ag1 Ag2 O2 Ag1 . 3_666 -96.17(10)
O1 P1 C1 C2 . . -155.7(4)
O2 P1 C1 C2 . . -27.2(4)
C7 P1 C1 C2 . . 88.0(4)
O1 P1 C1 C6 . . 30.2(4)
O2 P1 C1 C6 . . 158.7(3)
C7 P1 C1 C6 . . -86.1(4)
C6 C1 C2 C3 . . 1.8(7)
P1 C1 C2 C3 . . -172.3(4)
C1 C2 C3 C4 . . 0.0(9)
C2 C3 C4 C5 . . -2.0(11)
C3 C4 C5 C6 . . 2.4(11)
C4 C5 C6 C1 . . -0.7(10)
C2 C1 C6 C5 . . -1.5(7)
P1 C1 C6 C5 . . 172.7(4)
O1 P1 C7 C12 . . 156.6(4)
O2 P1 C7 C12 . . 26.0(5)
C1 P1 C7 C12 . . -89.0(5)
O1 P1 C7 C8 . . -31.7(5)
O2 P1 C7 C8 . . -162.2(5)
C1 P1 C7 C8 . . 82.7(5)
C12 C7 C8 C9 . . -0.1(11)
P1 C7 C8 C9 . . -172.0(7)
C7 C8 C9 C10 . . -3.4(14)
C8 C9 C10 C11 . . 4.4(16)
C9 C10 C11 C12 . . -1.8(14)
C8 C7 C12 C11 . . 2.6(9)
P1 C7 C12 C11 . . 174.4(5)
C10 C11 C12 C7 . . -1.7(11)
C32A P2 C13 C18 . . -75.7(6)
C19 P2 C13 C18 . . 32.6(5)
C32 P2 C13 C18 . . -79.1(5)
Ag1 P2 C13 C18 . . 158.1(4)
C32A P2 C13 C14 . . 103.2(5)
C19 P2 C13 C14 . . -148.5(4)
C32 P2 C13 C14 . . 99.8(5)
Ag1 P2 C13 C14 . . -23.1(5)
C18 C13 C14 C15 . . 0.3(9)
P2 C13 C14 C15 . . -178.7(5)
C13 C14 C15 C16 . . -0.5(11)
C14 C15 C16 C17 . . -0.2(12)
C15 C16 C17 C18 . . 1.0(12)
C14 C13 C18 C17 . . 0.6(9)
P2 C13 C18 C17 . . 179.4(5)
C16 C17 C18 C13 . . -1.2(10)
C26 P3 C19 P2 . . 82.8(3)
C20 P3 C19 P2 . . -168.3(2)
Ag2 P3 C19 P2 . . -45.0(3)
C32A P2 C19 P3 . . -79.4(5)
C13 P2 C19 P3 . . 171.6(2)
C32 P2 C19 P3 . . -78.7(4)
Ag1 P2 C19 P3 . . 48.2(3)
C26 P3 C20 C21 . . 74.9(5)
C19 P3 C20 C21 . . -33.6(5)
Ag2 P3 C20 C21 . . -157.1(4)
C26 P3 C20 C25 . . -104.5(4)
C19 P3 C20 C25 . . 147.0(4)
Ag2 P3 C20 C25 . . 23.5(4)
C25 C20 C21 C22 . . 0.0(9)
P3 C20 C21 C22 . . -179.4(5)
C20 C21 C22 C23 . . -0.7(12)
C21 C22 C23 C24 . . 1.2(13)
C22 C23 C24 C25 . . -0.9(13)
C21 C20 C25 C24 . . 0.2(9)
P3 C20 C25 C24 . . 179.6(5)
C23 C24 C25 C20 . . 0.3(11)
C20 P3 C26 C27 . . -49.7(7)
C19 P3 C26 C27 . . 57.2(7)
Ag2 P3 C26 C27 . . -176.3(6)
C20 P3 C26 C31 . . 131.9(5)
C19 P3 C26 C31 . . -121.2(5)
Ag2 P3 C26 C31 . . 5.3(5)
C31 C26 C27 C28 . . 0.7(13)
P3 C26 C27 C28 . . -177.8(8)
C26 C27 C28 C29 . . 1.0(16)
C27 C28 C29 C30 . . -2.3(15)
C28 C29 C30 C31 . . 2.0(14)
C27 C26 C31 C30 . . -1.0(11)
P3 C26 C31 C30 . . 177.5(6)
C29 C30 C31 C26 . . -0.3(13)
C32A P2 C32 C33 . . 103(10)
C13 P2 C32 C33 . . -161.2(5)
C19 P2 C32 C33 . . 90.7(5)
Ag1 P2 C32 C33 . . -38.2(6)
C32A P2 C32 C37 . . -71(10)
C13 P2 C32 C37 . . 24.8(6)
C19 P2 C32 C37 . . -83.3(6)
Ag1 P2 C32 C37 . . 147.9(5)
C37 C32 C33 C34 . . 0.0
P2 C32 C33 C34 . . -174.0(7)
C32 C33 C34 C35 . . 0.0
C33 C34 C35 C36 . . 0.0
C34 C35 C36 C37 . . 0.0
C35 C36 C37 C32 . . 0.0
C33 C32 C37 C36 . . 0.0
P2 C32 C37 C36 . . 174.0(7)
C13 P2 C32A C33A . . -111.7(6)
C19 P2 C32A C33A . . 141.2(6)
C32 P2 C32A C33A . . -27(10)
Ag1 P2 C32A C33A . . 13.1(7)
C13 P2 C32A C37A . . 72.7(8)
C19 P2 C32A C37A . . -34.4(9)
C32 P2 C32A C37A . . 157(11)
Ag1 P2 C32A C37A . . -162.5(7)
C37A C32A C33A C34A . . 0.0
P2 C32A C33A C34A . . -175.9(9)
C32A C33A C34A C35A . . 0.0
C33A C34A C35A C36A . . 0.0
C34A C35A C36A C37A . . 0.0
C35A C36A C37A C32A . . 0.0
C33A C32A C37A C36A . . 0.0
P2 C32A C37A C36A . . 175.4(10)
O4 S3 O3 Ag1 . . 155.6(8)
O5 S3 O3 Ag1 . . 20.7(12)
C38 S3 O3 Ag1 . . -90.1(10)
O1 Ag1 O3 S3 . . 28.5(10)
P2 Ag1 O3 S3 . . 178.2(10)
O2 Ag1 O3 S3 3_666 . -53.9(10)
Ag2 Ag1 O3 S3 . . -9(2)
O3 S3 C38 F1 . . -130.0(11)
O4 S3 C38 F1 . . -8.5(13)
O5 S3 C38 F1 . . 121.2(10)
O3 S3 C38 F2 . . -13.5(10)
O4 S3 C38 F2 . . 107.9(10)
O5 S3 C38 F2 . . -122.3(9)
O3 S3 C38 F3 . . 105.2(10)
O4 S3 C38 F3 . . -133.3(10)
O5 S3 C38 F3 . . -3.6(11)
O3B S3B C38B F2B . . 107.0(12)
O4B S3B C38B F2B . . -107.8(12)
O5B S3B C38B F2B . . -5.3(11)
O3B S3B C38B F3B . . -25.1(16)
O4B S3B C38B F3B . . 120.1(15)
O5B S3B C38B F3B . . -137.5(13)
O3B S3B C38B F1B . . -120.1(13)
O4B S3B C38B F1B . . 25.1(14)
O5B S3B C38B F1B . . 127.6(11)
