#------------------------------------------------------------------------------
#$Date: 2023-05-05 02:59:07 +0300 (Fri, 05 May 2023) $
#$Revision: 283013 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/13/7131332.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_7131332
loop_
_publ_author_name
'Joven-Sancho, Daniel'
'Demonti, Luca'
'Martín, Antonio'
'Saffon-Merceron, Nathalie'
'Nebra, Noel'
'Baya, Miguel'
'Menjón, Babil'
_publ_section_title
;
 Electrophilicity of neutral square-planar organosilver(III) compounds.
;
_journal_issue                   28
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4166
_journal_page_last               4168
_journal_paper_doi               10.1039/d3cc00493g
_journal_volume                  59
_journal_year                    2023
_chemical_formula_sum            'C21.25 H15.5 Ag Cl0.5 F9 P'
_chemical_formula_weight         598.40
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-12-16 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.1699(14)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.57973(19)
_cell_length_b                   9.58956(15)
_cell_length_c                   39.5558(6)
_cell_measurement_reflns_used    13913
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.3310
_cell_measurement_theta_min      3.0980
_cell_volume                     4385.73(12)
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.892
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            43926
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.892
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.337
_diffrn_reflns_theta_min         2.789
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.136
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent colourless'
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_description       prism
_exptl_crystal_F_000             2356
_exptl_crystal_size_max          0.470
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.431
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         9756
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0236P)²+3.2101P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0565
_refine_ls_wR_factor_ref         0.0597
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8589
_reflns_number_total             9756
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc00493g3.cif
_cod_data_source_block           4_AMT1207
_cod_depositor_comments
'Adding full bibliography for 7131328--7131334.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C21.25 H15.50 Ag Cl0.50 F9 P'
_cod_database_code               7131332
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.04805(2) 0.91430(2) 0.22960(2) 0.01264(5) Uani 1 1 d . . . . .
P1 P -0.11645(5) 0.98772(5) 0.19364(2) 0.01339(11) Uani 1 1 d . . . . .
F1 F -0.07063(11) 1.15104(13) 0.26165(3) 0.0244(3) Uani 1 1 d . . . . .
F2 F 0.10097(11) 1.11496(13) 0.28251(3) 0.0244(3) Uani 1 1 d . . . . .
F3 F -0.03832(11) 0.98075(14) 0.29663(3) 0.0248(3) Uani 1 1 d . . . . .
F4 F 0.20186(10) 0.69677(13) 0.25690(3) 0.0219(3) Uani 1 1 d . . . . .
F5 F 0.17754(11) 0.85337(14) 0.29421(3) 0.0261(3) Uani 1 1 d . . . . .
F6 F 0.28916(10) 0.89515(13) 0.25364(3) 0.0252(3) Uani 1 1 d . . . . .
F7 F 0.10364(11) 0.88513(13) 0.16003(3) 0.0218(3) Uani 1 1 d . . . . .
F8 F 0.21952(11) 0.76076(14) 0.19157(3) 0.0261(3) Uani 1 1 d . . . . .
F9 F 0.04706(11) 0.68691(13) 0.17950(3) 0.0254(3) Uani 1 1 d . . . . .
C1 C 0.00572(18) 1.0473(2) 0.26995(5) 0.0177(4) Uani 1 1 d . . . . .
C2 C 0.18794(18) 0.8362(2) 0.26057(5) 0.0165(4) Uani 1 1 d . . . . .
C3 C 0.10869(18) 0.8023(2) 0.18822(5) 0.0174(4) Uani 1 1 d . . . . .
C4 C -0.16772(18) 0.8610(2) 0.16201(5) 0.0158(4) Uani 1 1 d . . . . .
C5 C -0.13955(19) 0.8709(2) 0.12824(5) 0.0198(5) Uani 1 1 d . . . . .
H5 H -0.092340 0.945235 0.121159 0.024 Uiso 1 1 calc R U . . .
C6 C -0.1809(2) 0.7716(2) 0.10505(6) 0.0240(5) Uani 1 1 d . . . . .
H6 H -0.163184 0.779309 0.081961 0.029 Uiso 1 1 calc R U . . .
C7 C -0.2479(2) 0.6612(2) 0.11544(6) 0.0238(5) Uani 1 1 d . . . . .
H7 H -0.276686 0.594200 0.099401 0.029 Uiso 1 1 calc R U . . .
C8 C -0.27283(19) 0.6486(2) 0.14904(6) 0.0216(5) Uani 1 1 d . . . . .
H8 H -0.316832 0.571387 0.156159 0.026 Uiso 1 1 calc R U . . .
C9 C -0.23391(18) 0.7480(2) 0.17243(6) 0.0185(5) Uani 1 1 d . . . . .
H9 H -0.252057 0.739618 0.195472 0.022 Uiso 1 1 calc R U . . .
C10 C -0.24377(17) 1.0194(2) 0.21747(5) 0.0157(4) Uani 1 1 d . . . . .
C11 C -0.26008(19) 0.9370(2) 0.24588(6) 0.0201(5) Uani 1 1 d . . . . .
H11 H -0.203090 0.870303 0.252982 0.024 Uiso 1 1 calc R U . . .
C12 C -0.3589(2) 0.9516(2) 0.26382(6) 0.0242(5) Uani 1 1 d . . . . .
H12 H -0.369035 0.896534 0.283390 0.029 Uiso 1 1 calc R U . . .
C13 C -0.4431(2) 1.0474(2) 0.25300(6) 0.0250(5) Uani 1 1 d . . . . .
H13 H -0.511972 1.056069 0.264817 0.030 Uiso 1 1 calc R U . . .
C14 C -0.42665(19) 1.1301(2) 0.22501(6) 0.0236(5) Uani 1 1 d . . . . .
H14 H -0.484013 1.196250 0.217880 0.028 Uiso 1 1 calc R U . . .
C15 C -0.32716(18) 1.1173(2) 0.20725(6) 0.0191(5) Uani 1 1 d . . . . .
H15 H -0.316057 1.175185 0.188208 0.023 Uiso 1 1 calc R U . . .
C16 C -0.07885(18) 1.1466(2) 0.17196(5) 0.0150(4) Uani 1 1 d . . . . .
C17 C -0.15067(18) 1.2026(2) 0.14578(5) 0.0176(4) Uani 1 1 d . . . . .
H17 H -0.218744 1.154197 0.138092 0.021 Uiso 1 1 calc R U . . .
C18 C -0.12285(19) 1.3285(2) 0.13101(6) 0.0203(5) Uani 1 1 d . . . . .
H18 H -0.172249 1.366616 0.113392 0.024 Uiso 1 1 calc R U . . .
C19 C -0.02272(19) 1.3989(2) 0.14196(6) 0.0205(5) Uani 1 1 d . . . . .
H19 H -0.004401 1.485669 0.131996 0.025 Uiso 1 1 calc R U . . .
C20 C 0.05059(19) 1.3430(2) 0.16739(5) 0.0191(5) Uani 1 1 d . . . . .
H20 H 0.119824 1.390283 0.174481 0.023 Uiso 1 1 calc R U . . .
C21 C 0.02242(18) 1.2178(2) 0.18239(5) 0.0162(4) Uani 1 1 d . . . . .
H21 H 0.072334 1.180030 0.199925 0.019 Uiso 1 1 calc R U . . .
Ag2 Ag 0.03614(2) 0.74365(2) 0.46854(2) 0.01723(5) Uani 1 1 d . . . . .
P2 P 0.17022(5) 0.70960(6) 0.42414(2) 0.01619(12) Uani 1 1 d . . . . .
F10 F 0.14809(13) 0.80728(17) 0.53478(4) 0.0389(4) Uani 1 1 d . . . . .
F11 F 0.27451(12) 0.75587(16) 0.49964(4) 0.0333(3) Uani 1 1 d . . . . .
F12 F 0.17241(14) 0.59289(16) 0.52062(4) 0.0404(4) Uani 1 1 d . . . . .
F13 F -0.19403(12) 0.74428(17) 0.49697(4) 0.0393(4) Uani 1 1 d . . . . .
F14 F -0.08026(15) 0.90286(16) 0.51823(4) 0.0466(4) Uani 1 1 d . . . . .
F15 F -0.06048(13) 0.68729(17) 0.53358(4) 0.0395(4) Uani 1 1 d . . . . .
F16 F -0.18058(11) 0.67738(15) 0.42953(4) 0.0328(3) Uani 1 1 d . . . . .
F17 F -0.16339(12) 0.89699(15) 0.44119(4) 0.0332(3) Uani 1 1 d . . . . .
F18 F -0.07344(11) 0.80944(15) 0.40034(3) 0.0292(3) Uani 1 1 d . . . . .
C22 C 0.1654(2) 0.7236(3) 0.50818(6) 0.0263(5) Uani 1 1 d . . . . .
C23 C -0.0830(2) 0.7713(3) 0.50649(6) 0.0286(6) Uani 1 1 d . . . . .
C24 C -0.10251(19) 0.7831(2) 0.43263(6) 0.0229(5) Uani 1 1 d . . . . .
C25 C 0.19743(19) 0.8828(2) 0.40815(5) 0.0188(5) Uani 1 1 d . . . . .
C26 C 0.2592(2) 0.9745(3) 0.42981(6) 0.0294(6) Uani 1 1 d . . . . .
H26 H 0.289073 0.943323 0.451342 0.035 Uiso 1 1 calc R U . . .
C27 C 0.2768(3) 1.1112(3) 0.41985(7) 0.0358(6) Uani 1 1 d . . . . .
H27 H 0.319751 1.172812 0.434531 0.043 Uiso 1 1 calc R U . . .
C28 C 0.2327(2) 1.1583(3) 0.38897(6) 0.0288(6) Uani 1 1 d . . . . .
H28 H 0.245013 1.252174 0.382357 0.035 Uiso 1 1 calc R U . . .
C29 C 0.1705(2) 1.0684(3) 0.36758(6) 0.0290(6) Uani 1 1 d . . . . .
H29 H 0.139980 1.100815 0.346218 0.035 Uiso 1 1 calc R U . . .
C30 C 0.1521(2) 0.9313(2) 0.37706(6) 0.0233(5) Uani 1 1 d . . . . .
H30 H 0.108548 0.870528 0.362304 0.028 Uiso 1 1 calc R U . . .
C31 C 0.11419(19) 0.5983(2) 0.39012(6) 0.0187(5) Uani 1 1 d . . . . .
C32 C 0.0243(2) 0.5061(2) 0.39571(6) 0.0237(5) Uani 1 1 d . . . . .
H32 H -0.010838 0.505743 0.416856 0.028 Uiso 1 1 calc R U . . .
C33 C -0.0138(2) 0.4148(3) 0.37028(7) 0.0299(6) Uani 1 1 d . . . . .
H33 H -0.074615 0.351247 0.374145 0.036 Uiso 1 1 calc R U . . .
C34 C 0.0360(2) 0.4156(2) 0.33949(7) 0.0308(6) Uani 1 1 d . . . . .
H34 H 0.008349 0.354169 0.322036 0.037 Uiso 1 1 calc R U . . .
C35 C 0.1265(2) 0.5061(3) 0.33388(6) 0.0281(6) Uani 1 1 d . . . . .
H35 H 0.160934 0.506079 0.312632 0.034 Uiso 1 1 calc R U . . .
C36 C 0.1667(2) 0.5964(2) 0.35921(6) 0.0232(5) Uani 1 1 d . . . . .
H36 H 0.229885 0.656735 0.355551 0.028 Uiso 1 1 calc R U . . .
C37 C 0.30956(18) 0.6298(2) 0.43565(5) 0.0180(5) Uani 1 1 d . . . . .
C38 C 0.41415(19) 0.6893(3) 0.42753(6) 0.0251(5) Uani 1 1 d . . . . .
H38 H 0.414903 0.775164 0.415554 0.030 Uiso 1 1 calc R U . . .
C39 C 0.5174(2) 0.6226(3) 0.43702(6) 0.0312(6) Uani 1 1 d . . . . .
H39 H 0.588806 0.663762 0.431714 0.037 Uiso 1 1 calc R U . . .
C40 C 0.5172(2) 0.4973(3) 0.45405(6) 0.0313(6) Uani 1 1 d . . . . .
H40 H 0.588215 0.452703 0.460563 0.038 Uiso 1 1 calc R U . . .
C41 C 0.4127(2) 0.4361(3) 0.46172(6) 0.0296(6) Uani 1 1 d . . . . .
H41 H 0.412239 0.349317 0.473302 0.036 Uiso 1 1 calc R U . . .
C42 C 0.3097(2) 0.5020(2) 0.45241(6) 0.0255(5) Uani 1 1 d . . . . .
H42 H 0.238428 0.459819 0.457469 0.031 Uiso 1 1 calc R U . . .
Cl1 Cl -0.06093(11) 0.53162(14) 0.05255(3) 0.0370(3) Uani 0.5 1 d D . P . .
Cl2 Cl 0.0427(10) 0.5430(11) -0.0133(2) 0.068(4) Uani 0.3 1 d D . P A 1
C43 C -0.0480(13) 0.4518(14) 0.0132(3) 0.003(3) Uani 0.3 1 d D U P A 1
H43A H -0.125774 0.443506 0.001663 0.004 Uiso 0.3 1 calc R U P A 1
H43B H -0.017111 0.356335 0.016797 0.004 Uiso 0.3 1 calc R U P A 1
Cl2' Cl 0.0199(10) 0.4875(14) -0.0127(2) 0.076(3) Uani 0.2 1 d D . P A 2
C43' C -0.0877(11) 0.4443(17) 0.0147(3) 0.019(4) Uani 0.2 1 d D U P A 2
H43C H -0.164513 0.471207 0.004541 0.022 Uiso 0.2 1 calc R U P A 2
H43D H -0.087733 0.342434 0.018753 0.022 Uiso 0.2 1 calc R U P A 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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
C3 Ag1 C2 89.54(8) . . ?
C3 Ag1 C1 171.95(8) . . ?
C2 Ag1 C1 88.78(8) . . ?
C3 Ag1 P1 88.69(6) . . ?
C2 Ag1 P1 176.15(6) . . ?
C1 Ag1 P1 93.45(6) . . ?
C16 P1 C10 109.11(10) . . ?
C16 P1 C4 108.28(10) . . ?
C10 P1 C4 103.00(10) . . ?
C16 P1 Ag1 108.72(7) . . ?
C10 P1 Ag1 112.25(7) . . ?
C4 P1 Ag1 115.23(7) . . ?
F2 C1 F3 105.92(17) . . ?
F2 C1 F1 104.17(16) . . ?
F3 C1 F1 105.35(16) . . ?
F2 C1 Ag1 110.34(13) . . ?
F3 C1 Ag1 114.48(14) . . ?
F1 C1 Ag1 115.64(14) . . ?
F6 C2 F5 106.00(16) . . ?
F6 C2 F4 106.45(16) . . ?
F5 C2 F4 104.10(16) . . ?
F6 C2 Ag1 112.43(13) . . ?
F5 C2 Ag1 114.82(13) . . ?
F4 C2 Ag1 112.29(13) . . ?
F8 C3 F9 105.68(17) . . ?
F8 C3 F7 104.49(16) . . ?
F9 C3 F7 105.62(16) . . ?
F8 C3 Ag1 115.57(14) . . ?
F9 C3 Ag1 114.90(14) . . ?
F7 C3 Ag1 109.63(13) . . ?
C5 C4 C9 119.7(2) . . ?
C5 C4 P1 121.84(17) . . ?
C9 C4 P1 118.46(16) . . ?
C6 C5 C4 119.7(2) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C7 120.4(2) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C8 C7 C6 120.1(2) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 120.3(2) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C4 119.9(2) . . ?
C8 C9 H9 120.1 . . ?
C4 C9 H9 120.1 . . ?
C15 C10 C11 119.6(2) . . ?
C15 C10 P1 122.14(17) . . ?
C11 C10 P1 118.18(16) . . ?
C12 C11 C10 120.4(2) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 119.6(2) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 120.0(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.6(2) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C10 119.7(2) . . ?
C14 C15 H15 120.2 . . ?
C10 C15 H15 120.2 . . ?
C17 C16 C21 119.02(19) . . ?
C17 C16 P1 121.61(16) . . ?
C21 C16 P1 119.33(16) . . ?
C18 C17 C16 120.2(2) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 120.0(2) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 120.3(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 119.7(2) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C20 C21 C16 120.7(2) . . ?
C20 C21 H21 119.7 . . ?
C16 C21 H21 119.7 . . ?
C23 Ag2 C22 87.00(10) . . ?
C23 Ag2 C24 87.34(9) . . ?
C22 Ag2 C24 172.84(9) . . ?
C23 Ag2 P2 178.86(7) . . ?
C22 Ag2 P2 93.97(7) . . ?
C24 Ag2 P2 91.74(6) . . ?
C31 P2 C25 110.07(10) . . ?
C31 P2 C37 102.40(10) . . ?
C25 P2 C37 107.68(10) . . ?
C31 P2 Ag2 113.56(8) . . ?
C25 P2 Ag2 105.05(7) . . ?
C37 P2 Ag2 117.94(7) . . ?
F12 C22 F10 106.11(19) . . ?
F12 C22 F11 105.33(19) . . ?
F10 C22 F11 103.80(18) . . ?
F12 C22 Ag2 112.40(16) . . ?
F10 C22 Ag2 113.26(16) . . ?
F11 C22 Ag2 115.07(15) . . ?
F14 C23 F13 106.4(2) . . ?
F14 C23 F15 106.6(2) . . ?
F13 C23 F15 104.23(19) . . ?
F14 C23 Ag2 111.11(16) . . ?
F13 C23 Ag2 115.39(17) . . ?
F15 C23 Ag2 112.53(16) . . ?
F17 C24 F16 105.75(18) . . ?
F17 C24 F18 104.13(17) . . ?
F16 C24 F18 104.56(18) . . ?
F17 C24 Ag2 111.25(15) . . ?
F16 C24 Ag2 113.75(15) . . ?
F18 C24 Ag2 116.38(15) . . ?
C30 C25 C26 119.2(2) . . ?
C30 C25 P2 123.46(17) . . ?
C26 C25 P2 117.16(17) . . ?
C27 C26 C25 119.9(2) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.7(2) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C27 C28 C29 119.6(2) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C28 C29 C30 120.6(2) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 120.0(2) . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
C32 C31 C36 119.8(2) . . ?
C32 C31 P2 119.78(18) . . ?
C36 C31 P2 120.25(17) . . ?
C33 C32 C31 119.7(2) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C34 C33 C32 120.4(2) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 120.2(2) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 120.1(2) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C35 C36 C31 119.8(2) . . ?
C35 C36 H36 120.1 . . ?
C31 C36 H36 120.1 . . ?
C38 C37 C42 119.5(2) . . ?
C38 C37 P2 122.70(17) . . ?
C42 C37 P2 117.79(17) . . ?
C39 C38 C37 119.7(2) . . ?
C39 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C40 C39 C38 120.6(2) . . ?
C40 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C39 C40 C41 119.9(2) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 119.8(2) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C37 120.5(2) . . ?
C41 C42 H42 119.8 . . ?
C37 C42 H42 119.8 . . ?
Cl2' Cl1 C43' 35.1(8) 3_565 . ?
C43 Cl2 H43A 111.2(11) . 3_565 ?
C43 Cl2 H43B 112.0(11) . 3_565 ?
H43A Cl2 H43B 101.2 3_565 3_565 ?
Cl1 C43 Cl2 113.4(6) . . ?
Cl1 C43 H43A 108.9 . . ?
Cl2 C43 H43A 108.9 . . ?
Cl1 C43 H43B 108.9 . . ?
Cl2 C43 H43B 108.9 . . ?
H43A C43 H43B 107.7 . . ?
Cl1 Cl2' C43' 143.6(8) 3_565 . ?
Cl1 Cl2' H43A 93.2(6) 3_565 3_565 ?
Cl1 Cl2' H43B 90.8(6) 3_565 3_565 ?
C43' Cl2' H43B 106.9(10) . 3_565 ?
H43A Cl2' H43B 65.7 3_565 3_565 ?
Cl1 C43' Cl2' 108.9(6) . . ?
Cl1 C43' H43C 109.9 . . ?
Cl2' C43' H43C 109.9 . . ?
Cl1 C43' H43D 109.9 . . ?
Cl2' C43' H43D 109.9 . . ?
H43C C43' H43D 108.3 . . ?
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 C3 2.110(2) . ?
Ag1 C2 2.114(2) . ?
Ag1 C1 2.122(2) . ?
Ag1 P1 2.4181(5) . ?
P1 C16 1.813(2) . ?
P1 C10 1.819(2) . ?
P1 C4 1.820(2) . ?
F1 C1 1.359(2) . ?
F2 C1 1.350(2) . ?
F3 C1 1.357(2) . ?
F4 C2 1.355(2) . ?
F5 C2 1.353(2) . ?
F6 C2 1.343(2) . ?
F7 C3 1.367(2) . ?
F8 C3 1.343(2) . ?
F9 C3 1.351(2) . ?
C4 C5 1.395(3) . ?
C4 C9 1.402(3) . ?
C5 C6 1.389(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.381(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.387(3) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C15 1.391(3) . ?
C10 C11 1.396(3) . ?
C11 C12 1.387(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.389(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.384(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.399(3) . ?
C16 C21 1.399(3) . ?
C17 C18 1.387(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.387(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
Ag2 C23 2.111(2) . ?
Ag2 C22 2.116(2) . ?
Ag2 C24 2.118(2) . ?
Ag2 P2 2.4296(6) . ?
P2 C31 1.809(2) . ?
P2 C25 1.811(2) . ?
P2 C37 1.821(2) . ?
F10 C22 1.347(3) . ?
F11 C22 1.361(3) . ?
F12 C22 1.347(3) . ?
F13 C23 1.345(3) . ?
F14 C23 1.344(3) . ?
F15 C23 1.354(3) . ?
F16 C24 1.359(3) . ?
F17 C24 1.353(3) . ?
F18 C24 1.362(3) . ?
C25 C30 1.390(3) . ?
C25 C26 1.397(3) . ?
C26 C27 1.386(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.374(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.387(3) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.393(3) . ?
C31 C36 1.396(3) . ?
C32 C33 1.387(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.376(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.388(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.392(3) . ?
C37 C42 1.394(3) . ?
C38 C39 1.389(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.377(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.394(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.381(3) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
Cl1 Cl2' 1.681(8) 3_565 ?
Cl1 C43' 1.727(9) . ?
Cl1 C43 1.749(8) . ?
Cl2 C43 1.757(8) . ?
Cl2 H43A 1.05(2) 3_565 ?
Cl2 H43B 1.02(2) 3_565 ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
Cl2' C43' 1.747(9) . ?
C43' H43C 0.9900 . ?
C43' H43D 0.9900 . ?
