#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:16:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179369 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/66/4326640.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_4326640
loop_
_publ_author_name
'Irene Bassanetti'
'Luciano Marchiò'
_publ_contact_author_address
;
Departimento di Chimica GIAF
Università di Parma
via Usberti 17/a, 43100, Parma, Italy
;
_publ_contact_author_email       marchio@unipr.it
_publ_contact_author_fax         '0039 0521 905557'
_publ_contact_author_name        'Dr. Luciano Marchiò'
_publ_contact_author_phone       '0039 0521 905419'
_publ_section_title
;
 Structural Variability in Ag(I) and Cu(I) Coordination Polymers with
 Thioether-Functionalized Bis(pyrazolyl)methane Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10786
_journal_page_last               10797
_journal_paper_doi               10.1021/ic201338w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C27 H38 Ag F3 N4 O3 S2, 2(C H2 Cl2)'
_chemical_formula_sum            'C29 H42 Ag Cl4 F3 N4 O3 S2'
_chemical_formula_weight         865.46
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 106.500(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.477(2)
_cell_length_b                   12.839(1)
_cell_length_c                   26.057(2)
_cell_measurement_reflns_used    5433
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.75
_cell_measurement_theta_min      1.63
_cell_volume                     7530.7(10)
_computing_cell_refinement       Saint
_computing_data_collection       Smart
_computing_data_reduction        Saint
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Sir2004
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Smart 1000 CCD'
_diffrn_measurement_method       'theta & omega scan'
_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  0.0581
_diffrn_reflns_av_sigmaI/netI    0.1296
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            21169
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.980
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.807
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_description       prism
_exptl_crystal_F_000             3536
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.694
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         7955
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1161
_refine_ls_R_factor_gt           0.0493
_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)+(0.0070P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                3991
_reflns_number_total             7955
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201338w_si_001_09.cif
_cod_data_source_block           dt21dh
_cod_database_code               4326640
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.229372(15) 0.24320(3) 0.274360(13) 0.03645(10) Uani 1 1 d . . .
S13 S 0.32207(5) -0.10024(8) 0.26694(4) 0.0313(3) Uani 1 1 d . . .
N12 N 0.24939(15) 0.0646(3) 0.36133(12) 0.0277(9) Uani 1 1 d . . .
N11 N 0.33979(15) 0.1010(2) 0.33751(12) 0.0251(8) Uani 1 1 d . A .
N21 N 0.32487(15) 0.1827(3) 0.30302(12) 0.0297(9) Uani 1 1 d . A .
C33 C 0.3399(2) -0.0193(3) 0.21954(16) 0.0290(11) Uani 1 1 d . . .
C11 C 0.3762(2) 0.2299(3) 0.30690(16) 0.0319(11) Uani 1 1 d . . .
C13 C 0.29473(17) 0.0249(3) 0.33984(15) 0.0242(10) Uani 1 1 d . . .
H13 H 0.3151 -0.0303 0.3642 0.029 Uiso 1 1 calc R . .
N22 N 0.21053(15) 0.1370(2) 0.33522(13) 0.0318(9) Uani 1 1 d . . .
C42 C 0.1226(2) 0.2320(4) 0.3447(2) 0.0702(18) Uani 1 1 d . . .
H42 H 0.1355 0.2861 0.3239 0.084 Uiso 1 1 calc R . .
C31 C 0.3988(2) 0.0976(3) 0.36105(16) 0.0282(11) Uani 1 1 d . . .
C32 C 0.2354(2) 0.0339(3) 0.40522(16) 0.0357(12) Uani 1 1 d . . .
C71 C 0.42651(19) 0.0187(3) 0.40156(16) 0.0354(11) Uani 1 1 d . A .
H71 H 0.4023 -0.0448 0.3944 0.042 Uiso 1 1 calc R . .
C73 C 0.3160(3) 0.0715(4) 0.13955(19) 0.0577(15) Uani 1 1 d . . .
H73 H 0.2879 0.0975 0.1096 0.069 Uiso 1 1 calc R . .
C12 C 0.1728(2) 0.1543(3) 0.36258(18) 0.0401(12) Uani 1 1 d . . .
C21 C 0.4226(2) 0.1807(3) 0.34239(17) 0.0406(12) Uani 1 1 d . A .
H21 H 0.4624 0.2002 0.3518 0.049 Uiso 1 1 calc R . .
C81 C 0.48940(19) -0.0079(3) 0.40001(18) 0.0545(14) Uani 1 1 d . . .
H81A H 0.4884 -0.0315 0.3648 0.082 Uiso 1 1 calc R A .
H81B H 0.5054 -0.0618 0.4256 0.082 Uiso 1 1 calc R . .
H81C H 0.5140 0.0530 0.4087 0.082 Uiso 1 1 calc R . .
C52 C 0.1076(3) 0.2827(5) 0.3886(2) 0.122(3) Uani 1 1 d . . .
H52A H 0.0926 0.2320 0.4086 0.183 Uiso 1 1 calc R . .
H52B H 0.0778 0.3347 0.3748 0.183 Uiso 1 1 calc R . .
H52C H 0.1424 0.3151 0.4116 0.183 Uiso 1 1 calc R . .
C22 C 0.1867(2) 0.0893(3) 0.40625(18) 0.0478(14) Uani 1 1 d . . .
H22 H 0.1663 0.0843 0.4320 0.057 Uiso 1 1 calc R . .
C72 C 0.2672(2) -0.0499(4) 0.44107(16) 0.0497(14) Uani 1 1 d . . .
H72 H 0.3055 -0.0616 0.4341 0.060 Uiso 1 1 calc R . .
C43 C 0.3998(2) 0.0013(3) 0.22680(18) 0.0426(13) Uani 1 1 d . . .
H43 H 0.4281 -0.0241 0.2568 0.051 Uiso 1 1 calc R . .
C53 C 0.4168(3) 0.0591(4) 0.1896(2) 0.0599(16) Uani 1 1 d . . .
H53 H 0.4566 0.0750 0.1945 0.072 Uiso 1 1 calc R . .
C82 C 0.2313(2) -0.1511(4) 0.4297(2) 0.083(2) Uani 1 1 d . . .
H82A H 0.1937 -0.1410 0.4368 0.125 Uiso 1 1 calc R . .
H82B H 0.2528 -0.2055 0.4524 0.125 Uiso 1 1 calc R . .
H82C H 0.2249 -0.1704 0.3929 0.125 Uiso 1 1 calc R . .
C63 C 0.3754(3) 0.0924(4) 0.1464(2) 0.0638(17) Uani 1 1 d . . .
H63 H 0.3867 0.1302 0.1204 0.077 Uiso 1 1 calc R . .
C83 C 0.2977(2) 0.0139(3) 0.17554(17) 0.0428(13) Uani 1 1 d . . .
H83 H 0.2578 -0.0021 0.1702 0.051 Uiso 1 1 calc R . .
C91 C 0.4270(2) 0.0592(3) 0.45475(17) 0.0577(15) Uani 1 1 d . . .
H91A H 0.4520 0.1198 0.4628 0.086 Uiso 1 1 calc R A .
H91B H 0.4421 0.0067 0.4814 0.086 Uiso 1 1 calc R . .
H91C H 0.3873 0.0775 0.4546 0.086 Uiso 1 1 calc R . .
S14 S 0.15796(6) 0.17912(10) 0.13971(5) 0.0440(4) Uani 1 1 d . . .
Cl3 Cl 0.55336(9) 0.39191(15) 0.41762(7) 0.1288(7) Uani 1 1 d . . .
C23 C 0.26655(17) -0.0262(3) 0.28717(14) 0.0274(11) Uani 1 1 d . . .
H23A H 0.2496 0.0263 0.2604 0.033 Uiso 1 1 calc R . .
H23B H 0.2349 -0.0721 0.2903 0.033 Uiso 1 1 calc R . .
C92 C 0.2781(3) -0.0153(4) 0.49675(19) 0.103(2) Uani 1 1 d . . .
H92A H 0.2969 0.0518 0.5011 0.154 Uiso 1 1 calc R . .
H92B H 0.3035 -0.0644 0.5203 0.154 Uiso 1 1 calc R . .
H92C H 0.2410 -0.0105 0.5053 0.154 Uiso 1 1 calc R . .
F34 F 0.06644(11) 0.2483(3) 0.16708(11) 0.0846(9) Uani 1 1 d . . .
F14 F 0.05231(12) 0.2420(3) 0.08562(11) 0.0834(9) Uani 1 1 d . . .
O24 O 0.17870(14) 0.1369(2) 0.19093(11) 0.0558(10) Uani 1 1 d . . .
O14 O 0.17712(14) 0.2837(2) 0.13554(12) 0.0522(10) Uani 1 1 d . . .
O34 O 0.16139(15) 0.1109(2) 0.09842(12) 0.0603(10) Uani 1 1 d . . .
F24 F 0.05134(13) 0.1031(2) 0.12637(14) 0.0978(12) Uani 1 1 d . . .
C14 C 0.0771(2) 0.1927(4) 0.1293(2) 0.0559(15) Uani 1 1 d . . .
Cl1 Cl 0.58386(8) 0.62390(14) 0.50942(7) 0.1050(6) Uani 1 1 d . . .
Cl4 Cl 0.59568(9) 0.21314(12) 0.48025(7) 0.1054(6) Uani 1 1 d . . .
Cl2 Cl 0.69732(9) 0.69936(14) 0.56957(9) 0.1355(8) Uani 1 1 d . . .
C1S C 0.6326(3) 0.6360(4) 0.5694(2) 0.098(2) Uani 1 1 d . . .
H1S1 H 0.6425 0.5671 0.5845 0.118 Uiso 1 1 calc R . .
H1S2 H 0.6138 0.6736 0.5925 0.118 Uiso 1 1 calc R . .
C2S C 0.5773(3) 0.3443(4) 0.4794(2) 0.083(2) Uani 1 1 d . . .
H2S1 H 0.5467 0.3534 0.4973 0.100 Uiso 1 1 calc R . .
H2S2 H 0.6120 0.3833 0.4992 0.100 Uiso 1 1 calc R . .
C62 C 0.0703(3) 0.1796(6) 0.3087(3) 0.157(4) Uani 1 1 d . . .
H62A H 0.0615 0.1178 0.3257 0.236 Uiso 1 1 calc R . .
H62B H 0.0787 0.1613 0.2758 0.236 Uiso 1 1 calc R . .
H62C H 0.0368 0.2258 0.3012 0.236 Uiso 1 1 calc R . .
C41A C 0.3785(9) 0.3145(14) 0.2693(10) 0.054(3) Uani 0.392(7) 1 d PD A 1
H41A H 0.3451 0.3083 0.2368 0.065 Uiso 0.392(7) 1 calc PR A 1
C51A C 0.3735(6) 0.4115(9) 0.2976(5) 0.054(3) Uani 0.392(7) 1 d PD A 1
H51A H 0.4071 0.4180 0.3286 0.082 Uiso 0.392(7) 1 calc PR A 1
H51B H 0.3377 0.4101 0.3084 0.082 Uiso 0.392(7) 1 calc PR A 1
H51C H 0.3724 0.4697 0.2742 0.082 Uiso 0.392(7) 1 calc PR A 1
C61A C 0.4377(5) 0.3195(9) 0.2547(5) 0.054(3) Uani 0.392(7) 1 d PD A 1
H61A H 0.4354 0.3728 0.2283 0.082 Uiso 0.392(7) 1 calc PR A 1
H61B H 0.4451 0.2535 0.2404 0.082 Uiso 0.392(7) 1 calc PR A 1
H61C H 0.4695 0.3351 0.2861 0.082 Uiso 0.392(7) 1 calc PR A 1
C41 C 0.3758(6) 0.3326(11) 0.2790(5) 0.051(2) Uani 0.608(7) 1 d PD A 2
H41 H 0.3417 0.3725 0.2830 0.061 Uiso 0.608(7) 1 calc PR A 2
C51 C 0.4315(4) 0.3992(6) 0.3014(3) 0.051(2) Uani 0.608(7) 1 d PD A 2
H51D H 0.4355 0.4154 0.3383 0.077 Uiso 0.608(7) 1 calc PR A 2
H51E H 0.4281 0.4626 0.2812 0.077 Uiso 0.608(7) 1 calc PR A 2
H51F H 0.4658 0.3613 0.2989 0.077 Uiso 0.608(7) 1 calc PR A 2
C61 C 0.3658(4) 0.3128(5) 0.2219(3) 0.051(2) Uani 0.608(7) 1 d PD A 2
H61D H 0.3998 0.2782 0.2164 0.077 Uiso 0.608(7) 1 calc PR A 2
H61E H 0.3596 0.3777 0.2029 0.077 Uiso 0.608(7) 1 calc PR A 2
H61F H 0.3314 0.2695 0.2090 0.077 Uiso 0.608(7) 1 calc PR 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'
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'
F F 0.0171 0.0103 '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'
O O 0.0106 0.0060 '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'
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
N22 Ag N21 86.24(12) . .
N22 Ag S13 130.25(9) . 4
N21 Ag S13 137.90(9) . 4
N22 Ag O24 98.05(11) . .
N21 Ag O24 105.82(10) . .
S13 Ag O24 90.71(7) 4 .
C33 S13 C23 103.30(18) . .
C33 S13 Ag 111.48(14) . 4_545
C23 S13 Ag 104.76(13) . 4_545
C32 N12 N22 109.9(3) . .
C32 N12 C13 128.4(4) . .
N22 N12 C13 121.5(3) . .
C31 N11 N21 111.3(3) . .
C31 N11 C13 128.7(3) . .
N21 N11 C13 119.5(3) . .
C11 N21 N11 104.1(3) . .
C11 N21 Ag 130.9(3) . .
N11 N21 Ag 121.4(3) . .
C83 C33 C43 121.7(4) . .
C83 C33 S13 121.2(4) . .
C43 C33 S13 116.9(3) . .
N21 C11 C21 111.9(4) . .
N21 C11 C41A 119.3(9) . .
C21 C11 C41A 128.1(9) . .
N21 C11 C41 118.9(6) . .
C21 C11 C41 128.8(6) . .
C41A C11 C41 13.9(7) . .
N12 C13 N11 114.1(3) . .
N12 C13 C23 109.3(3) . .
N11 C13 C23 113.2(3) . .
N12 C13 H13 106.6 . .
N11 C13 H13 106.6 . .
C23 C13 H13 106.6 . .
C12 N22 N12 108.1(3) . .
C12 N22 Ag 126.0(3) . .
N12 N22 Ag 122.7(2) . .
C52 C42 C62 111.2(5) . .
C52 C42 C12 113.4(4) . .
C62 C42 C12 109.2(5) . .
C52 C42 H42 107.6 . .
C62 C42 H42 107.6 . .
C12 C42 H42 107.6 . .
N11 C31 C21 106.6(4) . .
N11 C31 C71 122.4(4) . .
C21 C31 C71 130.9(4) . .
N12 C32 C22 106.1(4) . .
N12 C32 C72 123.5(4) . .
C22 C32 C72 130.3(4) . .
C31 C71 C91 108.3(4) . .
C31 C71 C81 111.6(4) . .
C91 C71 C81 110.7(4) . .
C31 C71 H71 108.8 . .
C91 C71 H71 108.8 . .
C81 C71 H71 108.8 . .
C83 C73 C63 121.6(5) . .
C83 C73 H73 119.2 . .
C63 C73 H73 119.2 . .
N22 C12 C22 108.1(4) . .
N22 C12 C42 122.3(4) . .
C22 C12 C42 129.6(4) . .
C31 C21 C11 106.0(4) . .
C31 C21 H21 127.0 . .
C11 C21 H21 127.0 . .
C71 C81 H81A 109.5 . .
C71 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C71 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
C42 C52 H52A 109.5 . .
C42 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C42 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C32 C22 C12 107.9(4) . .
C32 C22 H22 126.1 . .
C12 C22 H22 126.1 . .
C92 C72 C32 108.5(4) . .
C92 C72 C82 112.4(4) . .
C32 C72 C82 110.1(4) . .
C92 C72 H72 108.6 . .
C32 C72 H72 108.6 . .
C82 C72 H72 108.6 . .
C53 C43 C33 119.7(5) . .
C53 C43 H43 120.2 . .
C33 C43 H43 120.2 . .
C63 C53 C43 119.0(5) . .
C63 C53 H53 120.5 . .
C43 C53 H53 120.5 . .
C72 C82 H82A 109.5 . .
C72 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C72 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C53 C63 C73 120.9(5) . .
C53 C63 H63 119.6 . .
C73 C63 H63 119.6 . .
C33 C83 C73 117.1(5) . .
C33 C83 H83 121.4 . .
C73 C83 H83 121.4 . .
C71 C91 H91A 109.5 . .
C71 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C71 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
O24 S14 O34 114.2(2) . .
O24 S14 O14 114.0(2) . .
O34 S14 O14 116.0(2) . .
O24 S14 C14 104.0(2) . .
O34 S14 C14 103.1(2) . .
O14 S14 C14 103.4(2) . .
C13 C23 S13 109.3(3) . .
C13 C23 H23A 109.8 . .
S13 C23 H23A 109.8 . .
C13 C23 H23B 109.8 . .
S13 C23 H23B 109.8 . .
H23A C23 H23B 108.3 . .
C72 C92 H92A 109.5 . .
C72 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C72 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
S14 O24 Ag 123.93(18) . .
F14 C14 F24 107.4(5) . .
F14 C14 F34 105.4(5) . .
F24 C14 F34 110.3(5) . .
F14 C14 S14 111.3(4) . .
F24 C14 S14 111.6(4) . .
F34 C14 S14 110.6(4) . .
Cl1 C1S Cl2 114.7(3) . .
Cl1 C1S H1S1 108.6 . .
Cl2 C1S H1S1 108.6 . .
Cl1 C1S H1S2 108.6 . .
Cl2 C1S H1S2 108.6 . .
H1S1 C1S H1S2 107.6 . .
Cl3 C2S Cl4 112.5(3) . .
Cl3 C2S H2S1 109.1 . .
Cl4 C2S H2S1 109.1 . .
Cl3 C2S H2S2 109.1 . .
Cl4 C2S H2S2 109.1 . .
H2S1 C2S H2S2 107.8 . .
C42 C62 H62A 109.5 . .
C42 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C42 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C51A C41A C11 105.6(13) . .
C51A C41A C61A 107.1(12) . .
C11 C41A C61A 113.6(15) . .
C51A C41A H41A 110.1 . .
C11 C41A H41A 110.1 . .
C61A C41A H41A 110.1 . .
C61 C41 C11 108.5(8) . .
C61 C41 C51 111.0(8) . .
C11 C41 C51 114.6(10) . .
C61 C41 H41 107.5 . .
C11 C41 H41 107.5 . .
C51 C41 H41 107.5 . .
C41 C51 H51D 109.5 . .
C41 C51 H51E 109.5 . .
H51D C51 H51E 109.5 . .
C41 C51 H51F 109.5 . .
H51D C51 H51F 109.5 . .
H51E C51 H51F 109.5 . .
C41 C61 H61D 109.5 . .
C41 C61 H61E 109.5 . .
H61D C61 H61E 109.5 . .
C41 C61 H61F 109.5 . .
H61D C61 H61F 109.5 . .
H61E C61 H61F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag N22 2.229(3) .
Ag N21 2.288(3) .
Ag S13 2.4329(11) 4
Ag O24 2.556(3) .
S13 C33 1.754(4) .
S13 C23 1.808(4) .
S13 Ag 2.4329(11) 4_545
N12 C32 1.336(4) .
N12 N22 1.345(4) .
N12 C13 1.430(4) .
N11 C31 1.348(5) .
N11 N21 1.361(4) .
N11 C13 1.454(4) .
N21 C11 1.326(5) .
C33 C83 1.355(5) .
C33 C43 1.389(5) .
C11 C21 1.368(5) .
C11 C41A 1.47(2) .
C11 C41 1.505(15) .
C13 C23 1.495(5) .
C13 H13 0.9800 .
N22 C12 1.305(5) .
C42 C52 1.444(6) .
C42 C62 1.479(7) .
C42 C12 1.512(6) .
C42 H42 0.9800 .
C31 C21 1.356(5) .
C31 C71 1.475(5) .
C32 C22 1.353(5) .
C32 C72 1.481(5) .
C71 C91 1.477(5) .
C71 C81 1.527(5) .
C71 H71 0.9800 .
C73 C83 1.357(6) .
C73 C63 1.382(6) .
C73 H73 0.9300 .
C12 C22 1.374(5) .
C21 H21 0.9300 .
C81 H81A 0.9600 .
C81 H81B 0.9600 .
C81 H81C 0.9600 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C22 H22 0.9300 .
C72 C92 1.469(6) .
C72 C82 1.530(6) .
C72 H72 0.9800 .
C43 C53 1.367(6) .
C43 H43 0.9300 .
C53 C63 1.332(6) .
C53 H53 0.9300 .
C82 H82A 0.9600 .
C82 H82B 0.9600 .
C82 H82C 0.9600 .
C63 H63 0.9300 .
C83 H83 0.9300 .
C91 H91A 0.9600 .
C91 H91B 0.9600 .
C91 H91C 0.9600 .
S14 O24 1.394(3) .
S14 O34 1.407(3) .
S14 O14 1.431(3) .
S14 C14 1.849(5) .
Cl3 C2S 1.664(5) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C92 H92A 0.9600 .
C92 H92B 0.9600 .
C92 H92C 0.9600 .
F34 C14 1.296(5) .
F14 C14 1.287(5) .
F24 C14 1.292(5) .
Cl1 C1S 1.660(6) .
Cl4 C2S 1.736(5) .
Cl2 C1S 1.723(6) .
C1S H1S1 0.9700 .
C1S H1S2 0.9700 .
C2S H2S1 0.9700 .
C2S H2S2 0.9700 .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C41A C51A 1.468(14) .
C41A C61A 1.545(15) .
C41A H41A 0.9800 .
C51A H51A 0.9600 .
C51A H51B 0.9600 .
C51A H51C 0.9600 .
C61A H61A 0.9600 .
C61A H61B 0.9600 .
C61A H61C 0.9600 .
C41 C61 1.459(11) .
C41 C51 1.534(11) .
C41 H41 0.9800 .
C51 H51D 0.9600 .
C51 H51E 0.9600 .
C51 H51F 0.9600 .
C61 H61D 0.9600 .
C61 H61E 0.9600 .
C61 H61F 0.9600 .
