#------------------------------------------------------------------------------
#$Date: 2016-09-07 18:11:39 +0300 (Wed, 07 Sep 2016) $
#$Revision: 186261 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/66/4086642.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_4086642
loop_
_publ_author_name
'Morosaki, Tomohito'
'Suzuki, Tsubasa'
'Fujii, Takayoshi'
_publ_section_title
;
 Syntheses and Structural Characterization of Mono-, Di-, and Tetranuclear
 Silver Carbone Complexes
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              2715
_journal_paper_doi               10.1021/acs.organomet.6b00452
_journal_volume                  35
_journal_year                    2016
_chemical_compound_source        'acetone, diethyl ether'
_chemical_formula_sum            'C28 H23 Ag2 F6 N O6 S3 Se'
_chemical_formula_weight         974.35
_chemical_melting_point          433.0(10)
_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                 116.831(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.760(4)
_cell_length_b                   17.913(4)
_cell_length_c                   17.308(3)
_cell_measurement_reflns_used    22958
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.10
_cell_volume                     6573(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28904
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    2.566
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Higashi, T. (1995). Program for Absorption Correction.
 Rigaku Corporation, Tokyo, Japan
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3808
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.824
_refine_diff_density_min         -1.033
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       0.00037(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         7481
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0483
_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)+(0.0786P)²+2.6662P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1434
_reflns_number_gt                5122
_reflns_number_total             7481
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om6b00452_si_002.cif
_cod_data_source_block           3c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '432-434' was changed to '433.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4086637--4086642.cif.
;
_cod_original_cell_volume        6574(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4086642
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
S1 S 0.85279(7) 0.41586(9) 0.28890(9) 0.0505(4) Uani 1 1 d . . .
O1 O 0.7876(2) 0.4070(4) 0.2291(3) 0.0928(19) Uani 1 1 d . A .
O2 O 0.8938(2) 0.3607(3) 0.2820(3) 0.0627(12) Uani 1 1 d . . .
O3 O 0.8743(3) 0.4915(3) 0.2989(3) 0.0809(15) Uani 1 1 d . . .
C1 C 0.8531(4) 0.3962(4) 0.3920(4) 0.0649(18) Uani 1 1 d . . .
F1 F 0.8122(2) 0.4388(3) 0.4045(2) 0.0855(13) Uani 1 1 d . . .
F2 F 0.8372(4) 0.3254(3) 0.3953(4) 0.133(2) Uani 1 1 d . . .
F3 F 0.9083(2) 0.4083(4) 0.4564(3) 0.126(2) Uani 1 1 d . . .
S2A S 0.66962(19) 0.4861(2) -0.0227(2) 0.0562(12) Uani 0.461(6) 1 d P A 1
O4A O 0.6653(8) 0.4390(12) 0.0497(13) 0.081(6) Uani 0.461(6) 1 d P A 1
O5A O 0.6926(8) 0.5576(7) 0.0093(11) 0.112(6) Uani 0.461(6) 1 d P A 1
O6A O 0.6859(6) 0.4413(8) -0.0736(9) 0.072(3) Uani 0.461(6) 1 d P A 1
C2A C 0.5843(9) 0.5048(10) -0.0856(13) 0.078(5) Uani 0.461(6) 1 d P A 1
F4A F 0.5550(5) 0.5212(7) -0.0460(7) 0.101(4) Uani 0.461(6) 1 d P A 1
F5A F 0.5859(19) 0.5519(19) -0.136(2) 0.170(14) Uani 0.461(6) 1 d P A 1
F6A F 0.5551(4) 0.4414(6) -0.1305(7) 0.093(4) Uani 0.461(6) 1 d P A 1
S2B S 0.64369(17) 0.4466(2) -0.03006(19) 0.0512(11) Uani 0.539(6) 1 d P A 2
O4B O 0.6959(5) 0.4380(10) 0.0550(10) 0.062(3) Uani 0.539(6) 1 d P A 2
O5B O 0.6519(5) 0.4150(6) -0.1008(6) 0.062(3) Uani 0.539(6) 1 d P . 2
O6B O 0.5815(4) 0.4385(6) -0.0349(7) 0.078(3) Uani 0.539(6) 1 d P A 2
C2B C 0.6474(8) 0.5464(8) -0.0482(9) 0.076(4) Uani 0.539(6) 1 d P A 2
F4B F 0.6356(5) 0.5876(4) 0.0104(5) 0.091(3) Uani 0.539(6) 1 d P A 2
F5B F 0.7018(4) 0.5605(5) -0.0505(7) 0.074(3) Uani 0.539(6) 1 d P A 2
F6B F 0.5898(12) 0.5667(12) -0.1322(10) 0.086(5) Uani 0.539(6) 1 d P A 2
Ag1 Ag 0.787518(18) 0.20424(3) 0.07224(2) 0.04941(17) Uani 1 1 d . . .
Ag2 Ag 0.72974(2) 0.32710(3) 0.12052(3) 0.05123(16) Uani 1 1 d . . .
S2 S 0.86946(6) 0.29667(10) -0.00469(8) 0.0468(4) Uani 1 1 d . A .
N1 N 0.87274(19) 0.2369(3) 0.0627(3) 0.0483(12) Uani 1 1 d . . .
C2 C 0.9291(2) 0.2792(5) -0.0389(3) 0.0566(18) Uani 1 1 d . . .
C3 C 0.9314(2) 0.2378(4) 0.1474(3) 0.0557(17) Uani 1 1 d . A .
H3 H 0.9683 0.2437 0.1366 0.084 Uiso 1 1 calc R . .
H3A H 0.9349 0.1907 0.1781 0.084 Uiso 1 1 calc R . .
H3B H 0.9295 0.2795 0.1827 0.084 Uiso 1 1 calc R . .
C4 C 0.9516(3) 0.4089(4) 0.0907(4) 0.0605(18) Uani 1 1 d . A .
H4 H 0.9848 0.3796 0.0904 0.073 Uiso 1 1 calc R . .
C5 C 0.7965(2) 0.2896(4) -0.0919(3) 0.0451(14) Uani 1 1 d . . .
C6 C 0.8538(3) 0.4942(4) 0.0913(4) 0.0586(17) Uani 1 1 d . . .
H6 H 0.8207 0.5236 0.0920 0.070 Uiso 1 1 calc R . .
C7 C 0.9492(3) 0.3343(5) -0.0774(4) 0.071(2) Uani 1 1 d . A .
H7 H 0.9364 0.3847 -0.0784 0.086 Uiso 1 1 calc R . .
C8 C 0.9469(3) 0.2056(5) -0.0361(4) 0.072(2) Uani 1 1 d . A .
H8 H 0.9322 0.1685 -0.0104 0.086 Uiso 1 1 calc R . .
C9 C 0.8884(2) 0.3874(4) 0.0436(3) 0.0476(14) Uani 1 1 d . . .
C10 C 0.9881(4) 0.3147(7) -0.1141(5) 0.091(3) Uani 1 1 d . . .
H10 H 1.0017 0.3517 -0.1414 0.109 Uiso 1 1 calc R A .
C11 C 0.8402(3) 0.4293(4) 0.0441(4) 0.0536(16) Uani 1 1 d . A .
H11 H 0.7977 0.4135 0.0119 0.064 Uiso 1 1 calc R . .
C12 C 1.0071(3) 0.2423(8) -0.1114(5) 0.105(4) Uani 1 1 d . A .
H12 H 1.0340 0.2292 -0.1364 0.126 Uiso 1 1 calc R . .
C13 C 0.9166(4) 0.5166(4) 0.1385(4) 0.0638(18) Uani 1 1 d . A .
H13 H 0.9263 0.5615 0.1712 0.077 Uiso 1 1 calc R . .
C14 C 0.9638(3) 0.4745(4) 0.1376(4) 0.0648(19) Uani 1 1 d . . .
H14 H 1.0062 0.4905 0.1701 0.078 Uiso 1 1 calc R A .
C15 C 0.9871(4) 0.1873(6) -0.0719(5) 0.093(3) Uani 1 1 d . . .
H15 H 1.0010 0.1373 -0.0695 0.111 Uiso 1 1 calc R A .
Se1 Se 0.79524(2) 0.36051(4) -0.17615(3) 0.04578(18) Uani 1 1 d . A .
C16 C 0.8080(3) 0.3042(4) -0.2637(3) 0.0463(14) Uani 1 1 d . . .
C17 C 0.7948(4) 0.3434(4) -0.3394(4) 0.074(2) Uani 1 1 d . A .
H17 H 0.7795 0.3932 -0.3471 0.089 Uiso 1 1 calc R . .
C18 C 0.8047(4) 0.3074(5) -0.4033(4) 0.079(2) Uani 1 1 d . . .
H18 H 0.7953 0.3326 -0.4561 0.094 Uiso 1 1 calc R A .
C19 C 0.7056(3) 0.3771(3) -0.2431(3) 0.0450(14) Uani 1 1 d . . .
C20 C 0.6653(2) 0.3171(4) -0.2760(3) 0.0479(14) Uani 1 1 d . A .
H20 H 0.6803 0.2671 -0.2648 0.057 Uiso 1 1 calc R . .
C21 C 0.8278(3) 0.2361(5) -0.3913(4) 0.0608(18) Uani 1 1 d . A .
H21 H 0.8357 0.2126 -0.4347 0.073 Uiso 1 1 calc R . .
C22 C 0.8293(3) 0.2335(4) -0.2516(4) 0.0622(18) Uani 1 1 d . A .
H22 H 0.8374 0.2078 -0.1997 0.075 Uiso 1 1 calc R . .
C23 C 0.8396(4) 0.1983(5) -0.3161(4) 0.073(2) Uani 1 1 d . . .
H23 H 0.8547 0.1484 -0.3082 0.087 Uiso 1 1 calc R A .
C24 C 0.6869(3) 0.4501(4) -0.2591(4) 0.0662(19) Uani 1 1 d . A .
H24 H 0.7163 0.4900 -0.2359 0.079 Uiso 1 1 calc R . .
C25 C 0.6225(4) 0.4635(5) -0.3112(5) 0.084(3) Uani 1 1 d . . .
H25 H 0.6075 0.5133 -0.3242 0.101 Uiso 1 1 calc R A .
C26 C 0.6012(3) 0.3333(5) -0.3269(4) 0.0658(19) Uani 1 1 d . . .
H26 H 0.5716 0.2938 -0.3499 0.079 Uiso 1 1 calc R A .
C27 C 0.5815(3) 0.4054(5) -0.3433(5) 0.076(2) Uani 1 1 d . A .
H27 H 0.5379 0.4155 -0.3780 0.091 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'
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'
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'
Se Se -0.0929 2.2259 '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
O2 S1 O3 116.4(3) . .
O2 S1 O1 114.7(3) . .
O3 S1 O1 113.8(4) . .
O2 S1 C1 104.3(3) . .
O3 S1 C1 102.8(3) . .
O1 S1 C1 102.3(4) . .
S1 O1 Ag2 136.3(3) . .
F3 C1 F1 107.0(6) . .
F3 C1 F2 108.5(7) . .
F1 C1 F2 107.3(7) . .
F3 C1 S1 111.6(6) . .
F1 C1 S1 111.7(5) . .
F2 C1 S1 110.6(5) . .
O6A S2A O5A 128.0(12) . .
O6A S2A O4A 109.9(10) . .
O5A S2A O4A 109.5(12) . .
O6A S2A C2A 106.3(8) . .
O5A S2A C2A 101.3(9) . .
O4A S2A C2A 96.9(10) . .
S2A O4A Ag2 126.0(10) . .
F4A C2A F5A 116(2) . .
F4A C2A F6A 104.3(17) . .
F5A C2A F6A 110(2) . .
F4A C2A S2A 117.9(14) . .
F5A C2A S2A 100(2) . .
F6A C2A S2A 108.9(11) . .
O5B S2B O4B 116.2(7) . .
O5B S2B O6B 116.0(7) . .
O4B S2B O6B 115.7(8) . .
O5B S2B C2B 101.8(7) . .
O4B S2B C2B 101.2(9) . .
O6B S2B C2B 102.4(7) . .
S2B O4B Ag2 123.8(11) . .
S2B O5B Ag1 117.1(5) . 7_655
F5B C2B F4B 116.2(13) . .
F5B C2B F6B 113.0(14) . .
F4B C2B F6B 100.4(12) . .
F5B C2B S2B 108.2(10) . .
F4B C2B S2B 110.9(11) . .
F6B C2B S2B 107.8(12) . .
C5 Ag1 N1 161.2(2) 7_655 .
C5 Ag1 O5B 120.0(3) 7_655 7_655
N1 Ag1 O5B 76.9(3) . 7_655
C5 Ag1 Ag1 81.56(14) 7_655 7_655
N1 Ag1 Ag1 90.81(11) . 7_655
O5B Ag1 Ag1 138.0(2) 7_655 7_655
C5 Ag1 Ag2 48.01(17) 7_655 .
N1 Ag1 Ag2 113.14(14) . .
O5B Ag1 Ag2 153.5(2) 7_655 .
Ag1 Ag1 Ag2 68.08(2) 7_655 .
C5 Ag1 Ag2 118.32(12) 7_655 7_655
N1 Ag1 Ag2 69.98(11) . 7_655
O5B Ag1 Ag2 81.3(2) 7_655 7_655
Ag1 Ag1 Ag2 56.901(18) 7_655 7_655
Ag2 Ag1 Ag2 124.984(16) . 7_655
C5 Ag2 O4B 137.2(4) 7_655 .
C5 Ag2 O1 143.1(2) 7_655 .
O4B Ag2 O1 78.8(4) . .
C5 Ag2 O4A 127.9(5) 7_655 .
O4B Ag2 O4A 15.8(6) . .
O1 Ag2 O4A 84.7(5) . .
C5 Ag2 Ag1 48.04(14) 7_655 .
O4B Ag2 Ag1 129.1(4) . .
O1 Ag2 Ag1 121.85(12) . .
O4A Ag2 Ag1 137.2(5) . .
C5 Ag2 Ag1 72.99(13) 7_655 7_655
O4B Ag2 Ag1 77.4(4) . 7_655
O1 Ag2 Ag1 135.63(16) . 7_655
O4A Ag2 Ag1 82.4(5) . 7_655
Ag1 Ag2 Ag1 55.016(16) . 7_655
N1 S2 C5 107.3(3) . .
N1 S2 C9 111.0(3) . .
C5 S2 C9 114.8(3) . .
N1 S2 C2 110.3(3) . .
C5 S2 C2 109.4(2) . .
C9 S2 C2 104.1(3) . .
C3 N1 S2 115.7(4) . .
C3 N1 Ag1 114.5(3) . .
S2 N1 Ag1 120.3(2) . .
C8 C2 C7 122.0(6) . .
C8 C2 S2 115.5(6) . .
C7 C2 S2 121.8(6) . .
N1 C3 H3 109.5 . .
N1 C3 H3A 109.5 . .
H3 C3 H3A 109.5 . .
N1 C3 H3B 109.5 . .
H3 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C14 C4 C9 117.4(6) . .
C14 C4 H4 121.3 . .
C9 C4 H4 121.3 . .
S2 C5 Se1 106.4(3) . .
S2 C5 Ag2 110.1(3) . 7_655
Se1 C5 Ag2 123.9(2) . 7_655
S2 C5 Ag1 119.5(3) . 7_655
Se1 C5 Ag1 112.6(3) . 7_655
Ag2 C5 Ag1 84.0(2) 7_655 7_655
C11 C6 C13 119.6(6) . .
C11 C6 H6 120.2 . .
C13 C6 H6 120.2 . .
C10 C7 C2 119.0(9) . .
C10 C7 H7 120.5 . .
C2 C7 H7 120.5 . .
C2 C8 C15 118.0(8) . .
C2 C8 H8 121.0 . .
C15 C8 H8 121.0 . .
C11 C9 C4 121.6(6) . .
C11 C9 S2 117.7(5) . .
C4 C9 S2 119.9(5) . .
C12 C10 C7 120.2(9) . .
C12 C10 H10 119.9 . .
C7 C10 H10 119.9 . .
C9 C11 C6 119.6(6) . .
C9 C11 H11 120.2 . .
C6 C11 H11 120.2 . .
C10 C12 C15 120.4(8) . .
C10 C12 H12 119.8 . .
C15 C12 H12 119.8 . .
C14 C13 C6 120.2(7) . .
C14 C13 H13 119.9 . .
C6 C13 H13 119.9 . .
C13 C14 C4 121.6(6) . .
C13 C14 H14 119.2 . .
C4 C14 H14 119.2 . .
C8 C15 C12 120.3(9) . .
C8 C15 H15 119.8 . .
C12 C15 H15 119.8 . .
C5 Se1 C19 101.1(2) . .
C5 Se1 C16 107.0(3) . .
C19 Se1 C16 97.4(2) . .
C22 C16 C17 122.0(6) . .
C22 C16 Se1 123.0(4) . .
C17 C16 Se1 114.9(5) . .
C18 C17 C16 117.9(7) . .
C18 C17 H17 121.0 . .
C16 C17 H17 121.0 . .
C21 C18 C17 120.8(6) . .
C21 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C24 C19 C20 124.1(5) . .
C24 C19 Se1 115.9(5) . .
C20 C19 Se1 119.9(4) . .
C19 C20 C26 116.8(6) . .
C19 C20 H20 121.6 . .
C26 C20 H20 121.6 . .
C18 C21 C23 119.9(6) . .
C18 C21 H21 120.1 . .
C23 C21 H21 120.1 . .
C16 C22 C23 119.4(6) . .
C16 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C21 C23 C22 119.9(7) . .
C21 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C19 C24 C25 116.9(7) . .
C19 C24 H24 121.5 . .
C25 C24 H24 121.5 . .
C27 C25 C24 120.4(7) . .
C27 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C27 C26 C20 120.2(7) . .
C27 C26 H26 119.9 . .
C20 C26 H26 119.9 . .
C26 C27 C25 121.6(7) . .
C26 C27 H27 119.2 . .
C25 C27 H27 119.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 O2 1.430(5) .
S1 O3 1.431(5) .
S1 O1 1.431(4) .
S1 C1 1.814(7) .
O1 Ag2 2.267(5) .
C1 F3 1.299(8) .
C1 F1 1.329(8) .
C1 F2 1.332(9) .
S2A O6A 1.372(13) .
S2A O5A 1.405(13) .
S2A O4A 1.55(2) .
S2A C2A 1.847(19) .
O4A Ag2 2.484(17) .
C2A F4A 1.22(2) .
C2A F5A 1.22(3) .
C2A F6A 1.37(2) .
S2B O5B 1.441(10) .
S2B O4B 1.443(14) .
S2B O6B 1.448(10) .
S2B C2B 1.824(15) .
O4B Ag2 2.248(17) .
O5B Ag1 2.496(10) 7_655
C2B F5B 1.336(19) .
C2B F4B 1.380(18) .
C2B F6B 1.52(3) .
Ag1 C5 2.175(5) 7_655
Ag1 N1 2.184(5) .
Ag1 O5B 2.496(10) 7_655
Ag1 Ag1 2.8451(9) 7_655
Ag1 Ag2 2.9090(8) .
Ag1 Ag2 3.2215(8) 7_655
Ag2 C5 2.174(6) 7_655
Ag2 Ag1 3.2215(8) 7_655
S2 N1 1.560(5) .
S2 C5 1.714(5) .
S2 C9 1.790(6) .
S2 C2 1.793(6) .
N1 C3 1.499(6) .
C2 C8 1.378(11) .
C2 C7 1.391(10) .
C3 H3 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C4 C14 1.384(9) .
C4 C9 1.401(8) .
C4 H4 0.9500 .
C5 Se1 1.923(6) .
C5 Ag2 2.174(6) 7_655
C5 Ag1 2.175(5) 7_655
C6 C11 1.373(9) .
C6 C13 1.400(9) .
C6 H6 0.9500 .
C7 C10 1.384(10) .
C7 H7 0.9500 .
C8 C15 1.392(10) .
C8 H8 0.9500 .
C9 C11 1.373(8) .
C10 C12 1.367(14) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C15 1.398(14) .
C12 H12 0.9500 .
C13 C14 1.355(10) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 H15 0.9500 .
Se1 C19 1.933(5) .
Se1 C16 1.954(6) .
C16 C22 1.345(9) .
C16 C17 1.391(8) .
C17 C18 1.390(10) .
C17 H17 0.9500 .
C18 C21 1.368(10) .
C18 H18 0.9500 .
C19 C24 1.369(9) .
C19 C20 1.381(8) .
C20 C26 1.403(8) .
C20 H20 0.9500 .
C21 C23 1.379(9) .
C21 H21 0.9500 .
C22 C23 1.395(9) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C25 1.403(10) .
C24 H24 0.9500 .
C25 C27 1.361(11) .
C25 H25 0.9500 .
C26 C27 1.360(11) .
C26 H26 0.9500 .
C27 H27 0.9500 .
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
_geom_torsion_site_symmetry_4
O2 S1 O1 Ag2 -1.4(7) . .
O3 S1 O1 Ag2 136.2(5) . .
C1 S1 O1 Ag2 -113.7(6) . .
O2 S1 C1 F3 66.2(6) . .
O3 S1 C1 F3 -55.8(6) . .
O1 S1 C1 F3 -174.0(6) . .
O2 S1 C1 F1 -174.1(5) . .
O3 S1 C1 F1 63.9(6) . .
O1 S1 C1 F1 -54.3(6) . .
O2 S1 C1 F2 -54.7(6) . .
O3 S1 C1 F2 -176.6(6) . .
O1 S1 C1 F2 65.2(6) . .
O6A S2A O4A Ag2 32.0(15) . .
O5A S2A O4A Ag2 -113.3(14) . .
C2A S2A O4A Ag2 142.1(12) . .
O6A S2A C2A F4A 155.9(15) . .
O5A S2A C2A F4A -68.6(19) . .
O4A S2A C2A F4A 42.9(18) . .
O6A S2A C2A F5A -78(2) . .
O5A S2A C2A F5A 58(2) . .
O4A S2A C2A F5A 169(2) . .
O6A S2A C2A F6A 37.4(16) . .
O5A S2A C2A F6A 172.9(15) . .
O4A S2A C2A F6A -75.6(16) . .
O5B S2B O4B Ag2 -64.7(12) . .
O6B S2B O4B Ag2 76.3(11) . .
C2B S2B O4B Ag2 -173.9(9) . .
O4B S2B O5B Ag1 35.9(11) . 7_655
O6B S2B O5B Ag1 -105.1(7) . 7_655
C2B S2B O5B Ag1 144.7(7) . 7_655
O5B S2B C2B F5B -56.0(11) . .
O4B S2B C2B F5B 64.0(12) . .
O6B S2B C2B F5B -176.2(10) . .
O5B S2B C2B F4B 175.5(10) . .
O4B S2B C2B F4B -64.4(13) . .
O6B S2B C2B F4B 55.3(12) . .
O5B S2B C2B F6B 66.5(12) . .
O4B S2B C2B F6B -173.5(12) . .
O6B S2B C2B F6B -53.7(12) . .
S2B O4B Ag2 C5 -1.1(14) . 7_655
S2B O4B Ag2 O1 -171.9(10) . .
S2B O4B Ag2 O4A -61(3) . .
S2B O4B Ag2 Ag1 65.9(10) . .
S2B O4B Ag2 Ag1 45.8(9) . 7_655
S1 O1 Ag2 C5 60.9(7) . 7_655
S1 O1 Ag2 O4B -129.5(7) . .
S1 O1 Ag2 O4A -144.3(8) . .
S1 O1 Ag2 Ag1 -0.1(7) . .
S1 O1 Ag2 Ag1 -70.9(7) . 7_655
S2A O4A Ag2 C5 -98.6(13) . 7_655
S2A O4A Ag2 O4B 33(2) . .
S2A O4A Ag2 O1 100.3(13) . .
S2A O4A Ag2 Ag1 -32.6(18) . .
S2A O4A Ag2 Ag1 -37.2(13) . 7_655
N1 Ag1 Ag2 C5 179.6(2) . 7_655
O5B Ag1 Ag2 C5 -72.7(6) 7_655 7_655
Ag1 Ag1 Ag2 C5 98.58(16) 7_655 7_655
Ag2 Ag1 Ag2 C5 98.58(16) 7_655 7_655
C5 Ag1 Ag2 O4B -122.8(5) 7_655 .
N1 Ag1 Ag2 O4B 56.9(5) . .
O5B Ag1 Ag2 O4B 164.5(8) 7_655 .
Ag1 Ag1 Ag2 O4B -24.2(5) 7_655 .
Ag2 Ag1 Ag2 O4B -24.2(5) 7_655 .
C5 Ag1 Ag2 O1 135.1(3) 7_655 .
N1 Ag1 Ag2 O1 -45.3(2) . .
O5B Ag1 Ag2 O1 62.4(6) 7_655 .
Ag1 Ag1 Ag2 O1 -126.3(2) 7_655 .
Ag2 Ag1 Ag2 O1 -126.3(2) 7_655 .
C5 Ag1 Ag2 O4A -104.1(7) 7_655 .
N1 Ag1 Ag2 O4A 75.5(7) . .
O5B Ag1 Ag2 O4A -176.8(10) 7_655 .
Ag1 Ag1 Ag2 O4A -5.5(7) 7_655 .
Ag2 Ag1 Ag2 O4A -5.5(7) 7_655 .
C5 Ag1 Ag2 Ag1 -98.58(16) 7_655 7_655
N1 Ag1 Ag2 Ag1 81.06(11) . 7_655
O5B Ag1 Ag2 Ag1 -171.3(6) 7_655 7_655
Ag2 Ag1 Ag2 Ag1 0.0 7_655 7_655
C5 S2 N1 C3 -175.5(4) . .
C9 S2 N1 C3 -49.3(5) . .
C2 S2 N1 C3 65.5(5) . .
C5 S2 N1 Ag1 -30.9(4) . .
C9 S2 N1 Ag1 95.3(3) . .
C2 S2 N1 Ag1 -150.0(3) . .
C5 Ag1 N1 C3 83.9(6) 7_655 .
O5B Ag1 N1 C3 -71.0(5) 7_655 .
Ag1 Ag1 N1 C3 149.5(4) 7_655 .
Ag2 Ag1 N1 C3 83.1(4) . .
Ag2 Ag1 N1 C3 -156.4(4) 7_655 .
C5 Ag1 N1 S2 -61.1(6) 7_655 .
O5B Ag1 N1 S2 144.0(4) 7_655 .
Ag1 Ag1 N1 S2 4.5(3) 7_655 .
Ag2 Ag1 N1 S2 -61.9(3) . .
Ag2 Ag1 N1 S2 58.6(3) 7_655 .
N1 S2 C2 C8 28.5(5) . .
C5 S2 C2 C8 -89.3(5) . .
C9 S2 C2 C8 147.5(4) . .
N1 S2 C2 C7 -160.4(4) . .
C5 S2 C2 C7 81.8(5) . .
C9 S2 C2 C7 -41.3(5) . .
N1 S2 C5 Se1 -177.3(3) . .
C9 S2 C5 Se1 58.8(3) . .
C2 S2 C5 Se1 -57.6(4) . .
N1 S2 C5 Ag2 -40.6(3) . 7_655
C9 S2 C5 Ag2 -164.5(2) . 7_655
C2 S2 C5 Ag2 79.0(4) . 7_655
N1 S2 C5 Ag1 53.9(4) . 7_655
C9 S2 C5 Ag1 -70.0(4) . 7_655
C2 S2 C5 Ag1 173.5(4) . 7_655
C8 C2 C7 C10 0.2(9) . .
S2 C2 C7 C10 -170.3(5) . .
C7 C2 C8 C15 1.0(9) . .
S2 C2 C8 C15 172.1(5) . .
C14 C4 C9 C11 -0.4(9) . .
C14 C4 C9 S2 -170.1(5) . .
N1 S2 C9 C11 -87.5(5) . .
C5 S2 C9 C11 34.4(5) . .
C2 S2 C9 C11 153.8(5) . .
N1 S2 C9 C4 82.6(5) . .
C5 S2 C9 C4 -155.5(5) . .
C2 S2 C9 C4 -36.0(5) . .
C2 C7 C10 C12 -1.0(11) . .
C4 C9 C11 C6 0.4(9) . .
S2 C9 C11 C6 170.4(5) . .
C13 C6 C11 C9 -0.2(9) . .
C7 C10 C12 C15 0.4(12) . .
C11 C6 C13 C14 -0.1(10) . .
C6 C13 C14 C4 0.1(10) . .
C9 C4 C14 C13 0.1(10) . .
C2 C8 C15 C12 -1.6(11) . .
C10 C12 C15 C8 0.9(12) . .
S2 C5 Se1 C19 -156.7(3) . .
Ag2 C5 Se1 C19 74.2(3) 7_655 .
Ag1 C5 Se1 C19 -23.9(3) 7_655 .
S2 C5 Se1 C16 101.9(3) . .
Ag2 C5 Se1 C16 -27.1(4) 7_655 .
Ag1 C5 Se1 C16 -125.3(3) 7_655 .
C5 Se1 C16 C22 -15.1(6) . .
C19 Se1 C16 C22 -119.1(5) . .
C5 Se1 C16 C17 166.5(5) . .
C19 Se1 C16 C17 62.5(5) . .
C22 C16 C17 C18 -0.4(11) . .
Se1 C16 C17 C18 178.1(6) . .
C16 C17 C18 C21 -1.2(12) . .
C5 Se1 C19 C24 132.2(5) . .
C16 Se1 C19 C24 -118.9(5) . .
C5 Se1 C19 C20 -51.7(5) . .
C16 Se1 C19 C20 57.3(5) . .
C24 C19 C20 C26 -1.8(9) . .
Se1 C19 C20 C26 -177.6(4) . .
C17 C18 C21 C23 2.1(12) . .
C17 C16 C22 C23 1.0(10) . .
Se1 C16 C22 C23 -177.3(5) . .
C18 C21 C23 C22 -1.5(11) . .
C16 C22 C23 C21 0.0(11) . .
C20 C19 C24 C25 0.9(10) . .
Se1 C19 C24 C25 176.9(6) . .
C19 C24 C25 C27 0.3(12) . .
C19 C20 C26 C27 1.4(10) . .
C20 C26 C27 C25 -0.3(12) . .
C24 C25 C27 C26 -0.6(13) . .
