#------------------------------------------------------------------------------
#$Date: 2025-08-21 01:27:06 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301840 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/14/4341445.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_4341445
loop_
_publ_author_name
'Gardinier, James R.'
'Hewage, Jeewantha S.'
'Lindeman, Sergey V.'
_publ_section_title
;
 Isomer Dependence in the Assembly and Lability of Silver(I)
 Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-,
 and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              141106150122003
_journal_paper_doi               10.1021/ic5019357
_journal_year                    2014
_chemical_formula_moiety         'C54 H50 Ag2 N8 P2, 2(C F3 O3 S), 2(C2 H3 N)'
_chemical_formula_sum            'C60 H56 Ag2 F6 N10 O6 P2 S2'
_chemical_formula_weight         1468.95
_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'
_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     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-01-29
_audit_creation_method
;
Olex2 1.2
(compiled 2013.11.15 svn.r2834 for OlexSys, GUI svn.r4720)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 109.318(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.8539(2)
_cell_length_b                   15.5905(3)
_cell_length_c                   17.6390(4)
_cell_measurement_reflns_used    14148
_cell_measurement_temperature    100.05(10)
_cell_measurement_theta_max      29.1650
_cell_measurement_theta_min      3.5880
_cell_volume                     3076.29(11)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_diffrn_ambient_temperature      100.05(10)
_diffrn_detector_area_resol_mean 10.3756
_diffrn_measured_fraction_theta_full 0.9983
_diffrn_measured_fraction_theta_max 0.8987
_diffrn_measurement_details
;
  1 omega  -67.00   44.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       11.3572  -77.0000 -180.0000 111

  2 omega   36.00   61.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       11.3572  178.0000   30.0000 25

  3 omega  -11.00   38.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       11.3572  -37.0000 -150.0000 49

  4 omega   28.00   55.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.7478   57.0000 -150.0000 27

  5 omega  -32.00   -6.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.7478   57.0000 -150.0000 26

  6 omega    1.00   27.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.7478  -99.0000 -120.0000 26

  7 omega  -18.00   45.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       11.3572   57.0000 -120.0000 63

  8 omega   35.00  101.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       11.3572  178.0000  120.0000 66
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0233212000
_diffrn_orient_matrix_UB_12      0.0382706000
_diffrn_orient_matrix_UB_13      0.0211286000
_diffrn_orient_matrix_UB_21      -0.0322989000
_diffrn_orient_matrix_UB_22      0.0245226000
_diffrn_orient_matrix_UB_23      -0.0341753000
_diffrn_orient_matrix_UB_31      -0.0493094000
_diffrn_orient_matrix_UB_32      0.0020240000
_diffrn_orient_matrix_UB_33      0.0142302000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            31390
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         29.49
_diffrn_reflns_theta_min         2.77
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.834
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.911
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.1497
_exptl_crystal_size_mid          0.1098
_exptl_crystal_size_min          0.0902
_refine_diff_density_max         0.530
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         7707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0330
_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)+(0.0302P)²+2.6929P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0777
_reflns_number_gt                6415
_reflns_number_total             7707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5019357_si_002.cif
_cod_data_source_block           2_CH3CN_AgmL
_cod_original_cell_volume        3076.30(11)
_cod_database_code               4341445
#BEGIN Tags that were not found in dictionaries:
_chemical_oxdiff_formula         'Ag C27 H25 N4 P C2 H3 N S O3 C F3'
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H11(0.026) H12(0.029) H13(0.026) H21(0.03) H22(0.037) H23(0.032)
 H7(0.021) H2(0.02) H6(0.023) H5(0.026) H4(0.025) H42(0.026) H43(0.028)
 H45(0.029) H46(0.024) H47a(0.054) H47b(0.054) H47c(0.054) H32(0.027)
 H33(0.029) H35(0.028) H36(0.025) H37a(0.05) H37b(0.05) H37c(0.05) H2sa(0.07)
 H2sb(0.07) H2sc(0.07)
 Fixed X: H11(0.5141) H12(0.6968) H13(0.708) H21(0.1501) H22(0.2195)
 H23(0.4424) H7(0.5957) H2(0.6617) H6(0.6525) H5(0.5485) H4(0.4952) H42(0.6106)
 H43(0.6208) H45(0.9322) H46(0.9211) H47a(0.7042) H47b(0.8252) H47c(0.8305)
 H32(0.9404) H33(1.1296) H35(1.0835) H36(0.8958) H37a(1.2951) H37b(1.2337)
 H37c(1.2834) H2sa(0.8287) H2sb(0.9625) H2sc(0.9077)
 Fixed Y: H11(0.2213) H12(0.1801) H13(0.283) H21(0.4517) H22(0.4569)
 H23(0.433) H7(0.4159) H2(0.4234) H6(0.679) H5(0.7008) H4(0.5837) H42(0.4033)
 H43(0.2548) H45(0.2542) H46(0.4022) H47a(0.1191) H47b(0.1181) H47c(0.1287)
 H32(0.5874) H33(0.6461) H35(0.635) H36(0.5739) H37a(0.6551) H37b(0.7474)
 H37c(0.6994) H2sa(0.5042) H2sb(0.5388) H2sc(0.474)
 Fixed Z: H11(0.5747) H12(0.6895) H13(0.8014) H21(0.6893) H22(0.8399)
 H23(0.8851) H7(0.8153) H2(0.6559) H6(0.6115) H5(0.7018) H4(0.7658) H42(0.4552)
 H43(0.446) H45(0.6313) H46(0.6432) H47a(0.5081) H47b(0.5834) H47c(0.4945)
 H32(0.5032) H33(0.5633) H35(0.78) H36(0.7205) H37a(0.7583) H37b(0.7369)
 H37c(0.6742) H2sa(0.8432) H2sb(0.8825) H2sc(0.9315)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.659377(14) 0.594732(11) 0.427156(10) 0.02174(6) Uani 1 1 d .
P1 P 0.74929(5) 0.53380(3) 0.55445(3) 0.01619(11) Uani 1 1 d .
N11 N 0.48739(15) 0.31659(12) 0.64492(11) 0.0194(4) Uani 1 1 d .
N12 N 0.55351(15) 0.33470(11) 0.72248(10) 0.0183(4) Uani 1 1 d .
N21 N 0.32164(16) 0.43210(13) 0.69652(11) 0.0223(4) Uani 1 1 d .
N22 N 0.41862(16) 0.42407(12) 0.76399(11) 0.0202(4) Uani 1 1 d .
C1 C 0.66819(17) 0.54901(13) 0.62564(12) 0.0170(4) Uani 1 1 d .
C2 C 0.63718(17) 0.47962(13) 0.66438(12) 0.0167(4) Uani 1 1 d .
H2 H 0.6617 0.4234 0.6559 0.020 Uiso 1 1 calc R
C3 C 0.57040(17) 0.49180(14) 0.71553(12) 0.0175(4) Uani 1 1 d .
C4 C 0.53857(19) 0.57463(14) 0.72988(13) 0.0208(5) Uani 1 1 d .
H4 H 0.4952 0.5837 0.7658 0.025 Uiso 1 1 calc R
C5 C 0.57013(19) 0.64441(14) 0.69167(13) 0.0219(5) Uani 1 1 d .
H5 H 0.5485 0.7008 0.7018 0.026 Uiso 1 1 calc R
C6 C 0.63321(18) 0.63154(14) 0.63871(13) 0.0193(4) Uani 1 1 d .
H6 H 0.6525 0.6790 0.6115 0.023 Uiso 1 1 calc R
C7 C 0.53830(18) 0.41578(13) 0.75909(13) 0.0176(4) Uani 1 1 d .
H7 H 0.5957 0.4159 0.8153 0.021 Uiso 1 1 calc R
C11 C 0.54128(19) 0.24937(14) 0.62527(14) 0.0216(5) Uani 1 1 d .
H11 H 0.5141 0.2213 0.5747 0.026 Uiso 1 1 calc R
C12 C 0.6430(2) 0.22550(15) 0.68876(14) 0.0238(5) Uani 1 1 d .
H12 H 0.6968 0.1801 0.6895 0.029 Uiso 1 1 calc R
C13 C 0.64853(19) 0.28168(14) 0.74971(14) 0.0218(5) Uani 1 1 d .
H13 H 0.7080 0.2830 0.8014 0.026 Uiso 1 1 calc R
C21 C 0.2307(2) 0.44507(15) 0.72315(14) 0.0247(5) Uani 1 1 d .
H21 H 0.1501 0.4517 0.6893 0.030 Uiso 1 1 calc R
C22 C 0.2676(2) 0.44787(17) 0.80693(15) 0.0305(5) Uani 1 1 d .
H22 H 0.2195 0.4569 0.8399 0.037 Uiso 1 1 calc R
C23 C 0.3892(2) 0.43456(16) 0.83126(14) 0.0268(5) Uani 1 1 d .
H23 H 0.4424 0.4330 0.8851 0.032 Uiso 1 1 calc R
C31 C 0.89812(18) 0.57534(13) 0.60552(12) 0.0159(4) Uani 1 1 d .
C32 C 0.9691(2) 0.59704(14) 0.55957(13) 0.0224(5) Uani 1 1 d .
H32 H 0.9404 0.5874 0.5032 0.027 Uiso 1 1 calc R
C33 C 1.08145(19) 0.63271(15) 0.59533(14) 0.0244(5) Uani 1 1 d .
H33 H 1.1296 0.6461 0.5633 0.029 Uiso 1 1 calc R
C34 C 1.12443(19) 0.64908(14) 0.67720(14) 0.0219(5) Uani 1 1 d .
C35 C 1.05438(19) 0.62582(15) 0.72355(13) 0.0233(5) Uani 1 1 d .
H35 H 1.0835 0.6350 0.7800 0.028 Uiso 1 1 calc R
C36 C 0.94264(19) 0.58944(14) 0.68810(13) 0.0209(4) Uani 1 1 d .
H36 H 0.8958 0.5739 0.7205 0.025 Uiso 1 1 calc R
C37 C 1.2447(2) 0.69150(18) 0.71499(16) 0.0333(6) Uani 1 1 d .
H37a H 1.2951 0.6551 0.7583 0.050 Uiso 1 1 calc R
H37b H 1.2337 0.7474 0.7369 0.050 Uiso 1 1 calc R
H37c H 1.2834 0.6994 0.6742 0.050 Uiso 1 1 calc R
C41 C 0.76486(19) 0.41787(13) 0.55003(13) 0.0180(4) Uani 1 1 d .
C42 C 0.6759(2) 0.37311(15) 0.49140(13) 0.0213(4) Uani 1 1 d .
H42 H 0.6106 0.4033 0.4552 0.026 Uiso 1 1 calc R
C43 C 0.6825(2) 0.28462(15) 0.48575(14) 0.0236(5) Uani 1 1 d .
H43 H 0.6208 0.2548 0.4460 0.028 Uiso 1 1 calc R
C44 C 0.7779(2) 0.23894(14) 0.53727(14) 0.0241(5) Uani 1 1 d .
C45 C 0.8663(2) 0.28442(15) 0.59559(14) 0.0240(5) Uani 1 1 d .
H45 H 0.9322 0.2542 0.6313 0.029 Uiso 1 1 calc R
C46 C 0.86037(19) 0.37261(14) 0.60266(13) 0.0200(4) Uani 1 1 d .
H46 H 0.9211 0.4022 0.6432 0.024 Uiso 1 1 calc R
C47 C 0.7851(3) 0.14279(16) 0.53020(17) 0.0359(6) Uani 1 1 d .
H47a H 0.7042 0.1191 0.5081 0.054 Uiso 1 1 calc R
H47b H 0.8252 0.1181 0.5834 0.054 Uiso 1 1 calc R
H47c H 0.8305 0.1287 0.4945 0.054 Uiso 1 1 calc R
S1 S 0.75043(5) 0.87298(4) 0.50423(4) 0.02785(13) Uani 1 1 d .
F1 F 0.95283(15) 0.79591(11) 0.52072(11) 0.0531(5) Uani 1 1 d .
F2 F 0.80779(17) 0.75578(11) 0.41655(11) 0.0511(4) Uani 1 1 d .
F3 F 0.89287(16) 0.87817(11) 0.41798(11) 0.0491(4) Uani 1 1 d .
O1 O 0.82339(16) 0.93708(12) 0.55732(11) 0.0368(4) Uani 1 1 d .
O2 O 0.65950(15) 0.90688(12) 0.43495(11) 0.0373(4) Uani 1 1 d .
O3 O 0.71318(18) 0.80365(14) 0.54426(12) 0.0461(5) Uani 1 1 d .
C10 C 0.8560(2) 0.82308(17) 0.46268(16) 0.0341(6) Uani 1 1 d .
N1s N 0.9880(3) 0.36093(18) 0.81632(19) 0.0610(8) Uani 1 1 d .
C1s C 0.9535(3) 0.41720(19) 0.84403(19) 0.0418(7) Uani 1 1 d .
C2s C 0.9095(3) 0.4894(2) 0.87805(19) 0.0469(7) Uani 1 1 d .
H2sa H 0.8287 0.5042 0.8432 0.070 Uiso 1 1 calc R
H2sb H 0.9625 0.5388 0.8825 0.070 Uiso 1 1 calc R
H2sc H 0.9077 0.4740 0.9315 0.070 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'
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'
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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 15 -17 0.0386 0.0000 15.0000 -17.0000 0.2149 0.9488 -0.2116
0 -15 17 0.0516 -0.0000 -15.0000 17.0000 -0.2149 -0.9488 0.2116
-16 1 16 0.0492 -16.0000 1.0000 16.0000 0.0032 -0.0055 1.0187
16 -1 -16 0.0412 16.0000 -1.0000 -16.0000 -0.0032 0.0055 -1.0187
0 -17 -15 0.0489 0.0000 -17.0000 -15.0000 -0.9675 0.0957 -0.2479
0 17 15 0.0609 -0.0000 17.0000 15.0000 0.9675 -0.0957 0.2479
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
N11 Ag1 P1 144.04(5) 3_666 .
N11 Ag1 N21 82.90(7) 3_666 3_666
N21 Ag1 P1 132.63(5) 3_666 .
C1 P1 Ag1 115.38(7) . .
C31 P1 Ag1 112.96(7) . .
C31 P1 C1 104.95(9) . .
C31 P1 C41 106.25(10) . .
C41 P1 Ag1 112.43(7) . .
C41 P1 C1 103.97(10) . .
N12 N11 Ag1 121.26(13) . 3_666
C11 N11 Ag1 133.04(15) . 3_666
C11 N11 N12 104.97(17) . .
N11 N12 C7 120.68(17) . .
C13 N12 N11 111.42(18) . .
C13 N12 C7 125.73(18) . .
N22 N21 Ag1 119.52(13) . 3_666
C21 N21 Ag1 135.10(15) . 3_666
C21 N21 N22 104.79(18) . .
N21 N22 C7 120.99(17) . .
C23 N22 N21 111.58(18) . .
C23 N22 C7 127.02(19) . .
C2 C1 P1 121.29(16) . .
C2 C1 C6 119.65(19) . .
C6 C1 P1 119.02(16) . .
C1 C2 H2 119.7 . .
C1 C2 C3 120.63(19) . .
C3 C2 H2 119.7 . .
C2 C3 C7 120.55(19) . .
C4 C3 C2 119.3(2) . .
C4 C3 C7 120.05(18) . .
C3 C4 H4 119.9 . .
C3 C4 C5 120.2(2) . .
C5 C4 H4 119.9 . .
C4 C5 H5 119.9 . .
C6 C5 C4 120.1(2) . .
C6 C5 H5 119.9 . .
C1 C6 H6 120.0 . .
C5 C6 C1 120.0(2) . .
C5 C6 H6 120.0 . .
N12 C7 C3 111.23(17) . .
N12 C7 H7 107.3 . .
N22 C7 N12 111.66(17) . .
N22 C7 C3 111.78(17) . .
N22 C7 H7 107.3 . .
C3 C7 H7 107.3 . .
N11 C11 H11 124.4 . .
N11 C11 C12 111.2(2) . .
C12 C11 H11 124.4 . .
C11 C12 H12 127.4 . .
C13 C12 C11 105.3(2) . .
C13 C12 H12 127.4 . .
N12 C13 C12 107.1(2) . .
N12 C13 H13 126.5 . .
C12 C13 H13 126.5 . .
N21 C21 H21 124.1 . .
N21 C21 C22 111.9(2) . .
C22 C21 H21 124.1 . .
C21 C22 H22 127.6 . .
C23 C22 C21 104.8(2) . .
C23 C22 H22 127.6 . .
N22 C23 C22 107.0(2) . .
N22 C23 H23 126.5 . .
C22 C23 H23 126.5 . .
C32 C31 P1 118.31(16) . .
C32 C31 C36 118.59(19) . .
C36 C31 P1 123.05(16) . .
C31 C32 H32 119.7 . .
C33 C32 C31 120.5(2) . .
C33 C32 H32 119.7 . .
C32 C33 H33 119.5 . .
C34 C33 C32 120.9(2) . .
C34 C33 H33 119.5 . .
C33 C34 C35 118.6(2) . .
C33 C34 C37 120.5(2) . .
C35 C34 C37 120.9(2) . .
C34 C35 H35 119.7 . .
C36 C35 C34 120.6(2) . .
C36 C35 H35 119.7 . .
C31 C36 H36 119.6 . .
C35 C36 C31 120.8(2) . .
C35 C36 H36 119.6 . .
C34 C37 H37a 109.5 . .
C34 C37 H37b 109.5 . .
C34 C37 H37c 109.5 . .
H37a C37 H37b 109.5 . .
H37a C37 H37c 109.5 . .
H37b C37 H37c 109.5 . .
C42 C41 P1 117.76(16) . .
C46 C41 P1 123.02(16) . .
C46 C41 C42 119.2(2) . .
C41 C42 H42 119.9 . .
C43 C42 C41 120.3(2) . .
C43 C42 H42 119.9 . .
C42 C43 H43 119.5 . .
C42 C43 C44 121.0(2) . .
C44 C43 H43 119.5 . .
C43 C44 C45 118.2(2) . .
C43 C44 C47 120.7(2) . .
C45 C44 C47 121.1(2) . .
C44 C45 H45 119.2 . .
C46 C45 C44 121.5(2) . .
C46 C45 H45 119.2 . .
C41 C46 H46 120.1 . .
C45 C46 C41 119.8(2) . .
C45 C46 H46 120.1 . .
C44 C47 H47a 109.5 . .
C44 C47 H47b 109.5 . .
C44 C47 H47c 109.5 . .
H47a C47 H47b 109.5 . .
H47a C47 H47c 109.5 . .
H47b C47 H47c 109.5 . .
O1 S1 C10 102.28(12) . .
O2 S1 O1 114.62(11) . .
O2 S1 O3 115.37(12) . .
O2 S1 C10 103.72(12) . .
O3 S1 O1 114.63(12) . .
O3 S1 C10 103.89(12) . .
F1 C10 S1 111.06(19) . .
F1 C10 F2 107.8(2) . .
F1 C10 F3 107.0(2) . .
F2 C10 S1 111.61(18) . .
F3 C10 S1 111.47(18) . .
F3 C10 F2 107.7(2) . .
N1s C1s C2s 179.1(3) . .
C1s C2s H2sa 109.5 . .
C1s C2s H2sb 109.5 . .
C1s C2s H2sc 109.5 . .
H2sa C2s H2sb 109.5 . .
H2sa C2s H2sc 109.5 . .
H2sb C2s H2sc 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 P1 2.3445(6) .
Ag1 N11 2.2564(18) 3_666
Ag1 N21 2.3043(19) 3_666
P1 C1 1.832(2) .
P1 C31 1.814(2) .
P1 C41 1.821(2) .
N11 Ag1 2.2564(18) 3_666
N11 N12 1.362(2) .
N11 C11 1.331(3) .
N12 C7 1.458(3) .
N12 C13 1.351(3) .
N21 Ag1 2.3044(19) 3_666
N21 N22 1.360(3) .
N21 C21 1.327(3) .
N22 C7 1.455(3) .
N22 C23 1.353(3) .
C1 C6 1.394(3) .
C2 C1 1.392(3) .
C2 H2 0.9500 .
C3 C2 1.396(3) .
C3 C4 1.392(3) .
C4 H4 0.9500 .
C5 C4 1.394(3) .
C5 H5 0.9500 .
C6 C5 1.391(3) .
C6 H6 0.9500 .
C7 C3 1.528(3) .
C7 H7 1.0000 .
C11 H11 0.9500 .
C11 C12 1.397(3) .
C12 H12 0.9500 .
C12 C13 1.371(3) .
C13 H13 0.9500 .
C21 H21 0.9500 .
C21 C22 1.396(3) .
C22 H22 0.9500 .
C22 C23 1.377(3) .
C23 H23 0.9500 .
C31 C32 1.389(3) .
C31 C36 1.393(3) .
C32 H32 0.9500 .
C32 C33 1.388(3) .
C33 H33 0.9500 .
C33 C34 1.387(3) .
C34 C35 1.392(3) .
C34 C37 1.512(3) .
C35 H35 0.9500 .
C35 C36 1.385(3) .
C36 H36 0.9500 .
C37 H37a 0.9800 .
C37 H37b 0.9800 .
C37 H37c 0.9800 .
C41 C42 1.395(3) .
C41 C46 1.395(3) .
C42 H42 0.9500 .
C42 C43 1.387(3) .
C43 H43 0.9500 .
C43 C44 1.390(3) .
C44 C45 1.395(3) .
C44 C47 1.509(3) .
C45 H45 0.9500 .
C45 C46 1.385(3) .
C46 H46 0.9500 .
C47 H47a 0.9800 .
C47 H47b 0.9800 .
C47 H47c 0.9800 .
S1 O1 1.4450(19) .
S1 O2 1.4363(18) .
S1 O3 1.4380(19) .
S1 C10 1.821(3) .
F1 C10 1.329(3) .
F2 C10 1.335(3) .
F3 C10 1.334(3) .
N1s C1s 1.144(4) .
C1s C2s 1.451(5) .
C2s H2sa 0.9800 .
C2s H2sb 0.9800 .
C2s H2sc 0.9800 .
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
_geom_torsion_site_symmetry_1
Ag1 P1 C1 C2 125.84(15) .
Ag1 P1 C1 C6 -51.73(18) .
Ag1 P1 C31 C32 -34.10(19) .
Ag1 P1 C31 C36 143.42(16) .
Ag1 P1 C41 C42 -34.09(18) .
Ag1 P1 C41 C46 146.48(16) .
Ag1 N11 N12 C7 -5.4(2) 3_666
Ag1 N11 N12 C13 -169.56(14) 3_666
Ag1 N11 C11 C12 168.49(15) 3_666
Ag1 N21 N22 C7 12.4(3) 3_666
Ag1 N21 N22 C23 -174.44(15) 3_666
Ag1 N21 C21 C22 172.35(17) 3_666
P1 C1 C6 C5 179.12(16) .
P1 C31 C32 C33 177.06(18) .
P1 C31 C36 C35 -176.31(17) .
P1 C41 C42 C43 -179.35(17) .
P1 C41 C46 C45 -179.91(17) .
N11 Ag1 P1 C1 10.50(11) 3_666
N11 Ag1 P1 C31 -110.24(11) 3_666
N11 Ag1 P1 C41 129.51(11) 3_666
N11 N12 C7 N22 63.3(2) .
N11 N12 C7 C3 -62.3(2) .
N11 N12 C13 C12 -1.6(2) .
N11 C11 C12 C13 0.6(3) .
N12 N11 C11 C12 -1.5(2) .
N12 C7 C3 C2 -16.9(3) .
N12 C7 C3 C4 166.52(18) .
N21 Ag1 P1 C1 -158.85(10) 3_666
N21 Ag1 P1 C31 80.41(10) 3_666
N21 Ag1 P1 C41 -39.84(10) 3_666
N21 N22 C7 N12 -67.5(2) .
N21 N22 C7 C3 57.9(3) .
N21 N22 C23 C22 1.5(3) .
N21 C21 C22 C23 -0.7(3) .
N22 N21 C21 C22 1.6(3) .
N22 C7 C3 C2 -142.46(19) .
N22 C7 C3 C4 40.9(3) .
C1 P1 C31 C32 -160.61(17) .
C1 P1 C31 C36 16.9(2) .
C1 P1 C41 C42 91.40(18) .
C1 P1 C41 C46 -88.03(19) .
C1 C6 C5 C4 -2.0(3) .
C2 C1 C6 C5 1.5(3) .
C2 C3 C4 C5 1.9(3) .
C3 C2 C1 P1 -176.91(15) .
C3 C2 C1 C6 0.6(3) .
C4 C3 C2 C1 -2.3(3) .
C6 C5 C4 C3 0.3(3) .
C7 N12 C13 C12 -164.78(19) .
C7 N22 C23 C22 174.2(2) .
C7 C3 C2 C1 -178.95(18) .
C7 C3 C4 C5 178.50(19) .
C11 N11 N12 C7 166.07(18) .
C11 N11 N12 C13 1.9(2) .
C11 C12 C13 N12 0.6(2) .
C13 N12 C7 N22 -134.9(2) .
C13 N12 C7 C3 99.5(2) .
C21 N21 N22 C7 -175.08(19) .
C21 N21 N22 C23 -1.9(3) .
C21 C22 C23 N22 -0.5(3) .
C23 N22 C7 N12 120.5(2) .
C23 N22 C7 C3 -114.2(2) .
C31 P1 C1 C2 -109.16(17) .
C31 P1 C1 C6 73.27(18) .
C31 P1 C41 C42 -158.14(16) .
C31 P1 C41 C46 22.4(2) .
C31 C32 C33 C34 -1.3(4) .
C32 C31 C36 C35 1.2(3) .
C32 C33 C34 C35 2.5(3) .
C32 C33 C34 C37 -177.3(2) .
C33 C34 C35 C36 -1.9(3) .
C34 C35 C36 C31 0.0(3) .
C36 C31 C32 C33 -0.6(3) .
C37 C34 C35 C36 178.0(2) .
C41 P1 C1 C2 2.25(19) .
C41 P1 C1 C6 -175.32(16) .
C41 P1 C31 C32 89.62(18) .
C41 P1 C31 C36 -92.85(19) .
C41 C42 C43 C44 -0.8(3) .
C42 C41 C46 C45 0.7(3) .
C42 C43 C44 C45 0.8(3) .
C42 C43 C44 C47 -179.4(2) .
C43 C44 C45 C46 0.0(3) .
C44 C45 C46 C41 -0.7(3) .
C46 C41 C42 C43 0.1(3) .
C47 C44 C45 C46 -179.9(2) .
O1 S1 C10 F1 54.1(2) .
O1 S1 C10 F2 174.44(18) .
O1 S1 C10 F3 -65.1(2) .
O2 S1 C10 F1 173.61(18) .
O2 S1 C10 F2 -66.1(2) .
O2 S1 C10 F3 54.4(2) .
O3 S1 C10 F1 -65.4(2) .
O3 S1 C10 F2 54.9(2) .
O3 S1 C10 F3 175.36(18) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168338222
