#------------------------------------------------------------------------------
#$Date: 2019-11-24 09:52:38 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237538 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/72/7237266.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_7237266
loop_
_publ_author_name
'Wang, Xin Rui'
'Du, Jing'
'Huang, Zhuo'
'Liu, Kun'
'Liu, Yuan Yuan'
'Huo, Jian Zhong'
'Liu, Zhong Yi'
'Dong, Xiao Yu'
'Chen, Li Li'
'Ding, Bin'
_publ_section_title
;
 Anion directing self-assembly of 2D and 3D water-stable silver(i) cation
 metal organic frameworks and their applications in real-time
 discriminating cysteine and DNA detection
;
_journal_issue                   28
_journal_name_full               'Journal of Materials Chemistry B'
_journal_page_first              4569
_journal_paper_doi               10.1039/C8TB01032C
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C30 H30 Ag3 F9 N12 O10 S3'
_chemical_formula_weight         1309.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-04-18 deposited with the CCDC.
2018-06-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.4640(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.2784(12)
_cell_length_b                   11.6978(7)
_cell_length_c                   20.6670(12)
_cell_measurement_reflns_used    7670
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.11
_cell_measurement_theta_min      2.35
_cell_volume                     4426.2(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15893
_diffrn_reflns_point_group_measured_fraction_full 0.694
_diffrn_reflns_point_group_measured_fraction_max 0.660
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.218
_diffrn_reflns_theta_min         2.066
_exptl_absorpt_coefficient_mu    1.560
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_meas      ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2576
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.190
_exptl_transmission_factor_max   0.756
_exptl_transmission_factor_min   0.725
_refine_diff_density_max         0.807
_refine_diff_density_min         -0.937
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details
; 
 Flack x determined using 1540 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   0.009(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         7207
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0266
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[σ²(Fo²)+(0.0290P)²+3.1235P] 
 where P=(Fo²+2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0596
_reflns_Friedel_coverage         0.324
_reflns_Friedel_fraction_full    0.388
_reflns_Friedel_fraction_max     0.323
_reflns_number_gt                6735
_reflns_number_total             7207
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8tb01032c2.cif
_cod_data_source_block           n150709a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'NONE' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7237266
_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. 
;
_shelx_estimated_absorpt_t_min   0.725
_shelx_estimated_absorpt_t_max   0.756
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_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'
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
Ag1 Ag -0.01572(2) 0.35824(3) 0.13017(2) 0.01884(9) Uani 1 1 d . .
Ag2 Ag 0.31954(2) 0.48743(3) 0.29374(2) 0.01962(9) Uani 1 1 d . .
Ag3 Ag 0.67465(2) 0.38282(3) 0.46799(2) 0.02158(9) Uani 1 1 d . .
S1 S 0.11753(6) 0.29882(11) 0.38345(7) 0.0190(2) Uani 1 1 d . .
S2 S 0.46895(6) 0.38266(10) 0.06919(6) 0.0149(2) Uani 1 1 d . .
S3 S 0.28796(7) 0.18483(12) 0.21759(7) 0.0258(3) Uani 1 1 d . .
O1 O -0.0278(2) 0.5121(3) 0.2220(2) 0.0283(8) Uani 1 1 d . .
O2 O 0.19200(19) 0.3377(3) 0.4205(2) 0.0271(9) Uani 1 1 d . .
O3 O 0.10908(19) 0.1930(3) 0.34493(18) 0.0233(8) Uani 1 1 d . .
O4 O 0.06497(19) 0.3862(3) 0.3443(2) 0.0271(9) Uani 1 1 d . .
O5 O 0.5338(2) 0.3172(4) 0.0872(2) 0.0318(10) Uani 1 1 d . .
O6 O 0.4742(2) 0.4703(3) 0.12038(18) 0.0243(8) Uani 1 1 d . .
O7 O 0.43157(18) 0.4183(3) -0.00453(18) 0.0212(8) Uani 1 1 d . .
O8 O 0.3535(3) 0.1243(5) 0.2298(3) 0.0627(16) Uani 1 1 d . .
O9 O 0.2898(2) 0.2493(4) 0.2776(2) 0.0386(10) Uani 1 1 d . .
O10 O 0.2524(2) 0.2409(4) 0.1499(2) 0.0384(10) Uani 1 1 d . .
F1 F 0.13457(18) 0.1811(3) 0.49710(17) 0.0309(8) Uani 1 1 d . .
F2 F 0.02347(17) 0.2263(3) 0.42882(18) 0.0326(8) Uani 1 1 d . .
F3 F 0.0980(2) 0.3537(3) 0.49640(19) 0.0355(8) Uani 1 1 d . .
F4 F 0.4306(2) 0.2486(3) 0.14723(19) 0.0531(11) Uani 1 1 d . .
F5 F 0.3988(3) 0.1883(3) 0.0397(2) 0.0608(13) Uani 1 1 d . .
F6 F 0.3404(2) 0.3264(4) 0.0594(2) 0.0588(12) Uani 1 1 d . .
F7 F 0.2519(3) 0.0033(4) 0.2684(3) 0.0859(19) Uani 1 1 d . .
F8 F 0.2129(4) 0.0036(4) 0.1532(3) 0.0872(19) Uani 1 1 d . .
F9 F 0.1605(2) 0.1100(4) 0.2028(2) 0.0565(12) Uani 1 1 d . .
N1 N -0.1343(2) 0.3935(3) 0.0536(2) 0.0181(9) Uani 1 1 d . .
N2 N -0.1717(2) 0.3532(3) -0.0149(2) 0.0160(8) Uani 1 1 d . .
N3 N -0.2408(2) 0.4842(3) -0.0011(2) 0.0171(8) Uani 1 1 d . .
N4 N 0.1527(2) 0.2952(4) 0.0012(2) 0.0229(9) Uani 1 1 d . .
H4A H 0.1650 0.3380 -0.0269 0.027 Uiso 1 1 calc R U
H4B H 0.1860 0.2535 0.0349 0.027 Uiso 1 1 calc R U
N5 N 0.2023(2) 0.5011(3) 0.2129(2) 0.0173(8) Uani 1 1 d . .
N6 N 0.1628(2) 0.5922(3) 0.1745(2) 0.0138(8) Uani 1 1 d . .
N7 N 0.0851(2) 0.4538(3) 0.1522(2) 0.0161(8) Uani 1 1 d . .
N8 N 0.4833(2) 0.6923(3) 0.1949(2) 0.0161(8) Uani 1 1 d . .
H8A H 0.5194 0.7273 0.2301 0.019 Uiso 1 1 calc R U
H8B H 0.4912 0.6574 0.1612 0.019 Uiso 1 1 calc R U
N9 N 0.5558(2) 0.4423(3) 0.3858(2) 0.0157(8) Uani 1 1 d . .
N10 N 0.5371(2) 0.4298(3) 0.3140(2) 0.0149(8) Uani 1 1 d . .
N11 N 0.4348(2) 0.4624(3) 0.3217(2) 0.0160(8) Uani 1 1 d . .
N12 N 0.7793(2) 0.0264(3) 0.3904(2) 0.0165(8) Uani 1 1 d . .
H12A H 0.8271 0.0353 0.4113 0.020 Uiso 1 1 calc R U
H12B H 0.7603 -0.0427 0.3825 0.020 Uiso 1 1 calc R U
C1 C -0.1777(2) 0.4712(4) 0.0596(3) 0.0165(10) Uani 1 1 d . .
H1 H -0.1664 0.5143 0.1020 0.020 Uiso 1 1 calc R U
C2 C -0.2352(3) 0.4079(4) -0.0457(3) 0.0188(10) Uani 1 1 d . .
H2 H -0.2714 0.3941 -0.0930 0.023 Uiso 1 1 calc R U
C3 C -0.1448(3) 0.2579(4) -0.0434(3) 0.0200(10) Uani 1 1 d . .
H3A H -0.1757 0.2513 -0.0956 0.024 Uiso 1 1 calc R U
H3B H -0.1495 0.1859 -0.0207 0.024 Uiso 1 1 calc R U
C4 C -0.0663(3) 0.2729(4) -0.0307(3) 0.0187(10) Uani 1 1 d . .
C5 C -0.0123(3) 0.2089(4) 0.0217(3) 0.0179(10) Uani 1 1 d . .
H5 H -0.0251 0.1575 0.0500 0.021 Uiso 1 1 calc R U
C6 C 0.0603(3) 0.2186(4) 0.0335(3) 0.0193(10) Uani 1 1 d . .
H6 H 0.0967 0.1741 0.0698 0.023 Uiso 1 1 calc R U
C7 C 0.0794(3) 0.2933(4) -0.0079(3) 0.0181(10) Uani 1 1 d . .
C8 C 0.0251(3) 0.3576(5) -0.0604(3) 0.0239(11) Uani 1 1 d . .
H8 H 0.0377 0.4093 -0.0887 0.029 Uiso 1 1 calc R U
C9 C -0.0468(3) 0.3474(4) -0.0719(3) 0.0235(11) Uani 1 1 d . .
H9 H -0.0833 0.3917 -0.1082 0.028 Uiso 1 1 calc R U
C10 C 0.1529(3) 0.4203(4) 0.1974(3) 0.0169(10) Uani 1 1 d . .
H10 H 0.1640 0.3450 0.2163 0.020 Uiso 1 1 calc R U
C11 C 0.0937(2) 0.5624(4) 0.1395(2) 0.0147(9) Uani 1 1 d . .
H11 H 0.0557 0.6117 0.1094 0.018 Uiso 1 1 calc R U
C12 C 0.1957(2) 0.7063(4) 0.1808(3) 0.0153(9) Uani 1 1 d . .
H12C H 0.1983 0.7442 0.2247 0.018 Uiso 1 1 calc R U
H12D H 0.1642 0.7535 0.1391 0.018 Uiso 1 1 calc R U
C13 C 0.2712(2) 0.6999(4) 0.1840(3) 0.0149(9) Uani 1 1 d . .
C14 C 0.3296(3) 0.7496(4) 0.2417(3) 0.0167(10) Uani 1 1 d . .
H14 H 0.3213 0.7858 0.2787 0.020 Uiso 1 1 calc R U
C15 C 0.4001(3) 0.7468(4) 0.2457(3) 0.0178(10) Uani 1 1 d . .
H15 H 0.4393 0.7822 0.2847 0.021 Uiso 1 1 calc R U
C16 C 0.4124(2) 0.6920(4) 0.1927(3) 0.0138(9) Uani 1 1 d . .
C17 C 0.3543(3) 0.6408(4) 0.1351(3) 0.0170(10) Uani 1 1 d . .
H17 H 0.3628 0.6027 0.0988 0.020 Uiso 1 1 calc R U
C18 C 0.2844(3) 0.6457(4) 0.1309(3) 0.0192(10) Uani 1 1 d . .
H18 H 0.2450 0.6116 0.0914 0.023 Uiso 1 1 calc R U
C19 C 0.4924(3) 0.4614(4) 0.3870(3) 0.0161(10) Uani 1 1 d . .
H19 H 0.4874 0.4734 0.4302 0.019 Uiso 1 1 calc R U
C20 C 0.4656(2) 0.4426(4) 0.2771(2) 0.0159(9) Uani 1 1 d . .
H20 H 0.4400 0.4383 0.2264 0.019 Uiso 1 1 calc R U
C21 C 0.5935(3) 0.4168(4) 0.2881(3) 0.0177(10) Uani 1 1 d . .
H21A H 0.6241 0.4865 0.3003 0.021 Uiso 1 1 calc R U
H21B H 0.5697 0.4096 0.2353 0.021 Uiso 1 1 calc R U
C22 C 0.6418(2) 0.3141(4) 0.3195(2) 0.0146(9) Uani 1 1 d . .
C23 C 0.7166(3) 0.3268(4) 0.3569(3) 0.0166(10) Uani 1 1 d . .
H23 H 0.7371 0.4014 0.3656 0.020 Uiso 1 1 calc R U
C24 C 0.7624(3) 0.2324(4) 0.3818(2) 0.0154(10) Uani 1 1 d . .
H24 H 0.8137 0.2430 0.4072 0.018 Uiso 1 1 calc R U
C25 C 0.7334(3) 0.1228(4) 0.3697(3) 0.0151(10) Uani 1 1 d . .
C26 C 0.6575(2) 0.1091(4) 0.3323(3) 0.0168(10) Uani 1 1 d . .
H26 H 0.6369 0.0345 0.3239 0.020 Uiso 1 1 calc R U
C27 C 0.6124(2) 0.2035(4) 0.3077(3) 0.0165(10) Uani 1 1 d . .
H27 H 0.5611 0.1933 0.2825 0.020 Uiso 1 1 calc R U
C28 C 0.0913(3) 0.2619(5) 0.4552(3) 0.0241(11) Uani 1 1 d . .
C29 C 0.4062(3) 0.2810(5) 0.0792(3) 0.0347(14) Uani 1 1 d . .
C30 C 0.2258(5) 0.0700(6) 0.2107(4) 0.0472(18) Uani 1 1 d . .
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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N7 Ag1 N1 131.41(15) . .
N7 Ag1 N8 122.26(14) . 3_445
N1 Ag1 N8 106.23(14) . 3_445
N7 Ag1 O1 82.69(13) . .
N1 Ag1 O1 88.86(13) . .
N8 Ag1 O1 97.13(13) 3_445 .
N11 Ag2 N5 151.69(15) . .
N11 Ag2 N12 119.62(14) . 3_455
N5 Ag2 N12 88.68(14) . 3_455
N3 Ag3 N4 141.52(15) 2_665 4
N3 Ag3 N9 115.16(14) 2_665 .
N4 Ag3 N9 102.22(15) 4 .
O3 S1 O2 114.4(2) . .
O3 S1 O4 114.4(2) . .
O2 S1 O4 115.2(2) . .
O3 S1 C28 103.8(2) . .
O2 S1 C28 104.3(2) . .
O4 S1 C28 102.7(2) . .
O5 S2 O7 116.0(2) . .
O5 S2 O6 114.8(2) . .
O7 S2 O6 114.1(2) . .
O5 S2 C29 103.3(3) . .
O7 S2 C29 103.6(2) . .
O6 S2 C29 102.5(3) . .
O10 S3 O8 116.0(3) . .
O10 S3 O9 114.8(3) . .
O8 S3 O9 115.5(3) . .
O10 S3 C30 102.9(3) . .
O8 S3 C30 102.1(4) . .
O9 S3 C30 102.4(3) . .
C1 N1 N2 103.9(4) . .
C1 N1 Ag1 127.8(3) . .
N2 N1 Ag1 127.3(3) . .
C2 N2 N1 108.8(4) . .
C2 N2 C3 128.4(4) . .
N1 N2 C3 122.6(4) . .
C2 N3 C1 103.7(4) . .
C2 N3 Ag3 124.4(3) . 2_464
C1 N3 Ag3 130.9(3) . 2_464
C7 N4 Ag3 105.9(3) . 4_454
C7 N4 H4A 120.0 . .
Ag3 N4 H4A 99.9 4_454 .
C7 N4 H4B 120.0 . .
Ag3 N4 H4B 63.5 4_454 .
H4A N4 H4B 120.0 . .
C10 N5 N6 103.0(4) . .
C10 N5 Ag2 125.6(3) . .
N6 N5 Ag2 131.0(3) . .
C11 N6 N5 109.4(4) . .
C11 N6 C12 128.6(4) . .
N5 N6 C12 121.8(4) . .
C11 N7 C10 103.5(4) . .
C11 N7 Ag1 129.6(3) . .
C10 N7 Ag1 125.2(3) . .
C16 N8 Ag1 103.8(3) . 3
C16 N8 H8A 120.0 . .
Ag1 N8 H8A 83.0 3 .
C16 N8 H8B 120.0 . .
Ag1 N8 H8B 83.3 3 .
H8A N8 H8B 120.0 . .
C19 N9 N10 102.8(4) . .
C19 N9 Ag3 137.3(3) . .
N10 N9 Ag3 117.6(3) . .
C20 N10 N9 109.6(4) . .
C20 N10 C21 129.5(4) . .
N9 N10 C21 120.7(4) . .
C20 N11 C19 103.2(4) . .
C20 N11 Ag2 127.4(3) . .
C19 N11 Ag2 129.4(3) . .
C25 N12 Ag2 107.7(3) . 3_545
C25 N12 H12A 120.0 . .
Ag2 N12 H12A 75.3 3_545 .
C25 N12 H12B 120.0 . .
Ag2 N12 H12B 87.2 3_545 .
H12A N12 H12B 120.0 . .
N1 C1 N3 113.3(4) . .
N1 C1 H1 123.3 . .
N3 C1 H1 123.3 . .
N3 C2 N2 110.3(4) . .
N3 C2 H2 124.9 . .
N2 C2 H2 124.9 . .
N2 C3 C4 112.8(4) . .
N2 C3 H3A 109.0 . .
C4 C3 H3A 109.0 . .
N2 C3 H3B 109.0 . .
C4 C3 H3B 109.0 . .
H3A C3 H3B 107.8 . .
C5 C4 C9 118.7(5) . .
C5 C4 C3 119.7(5) . .
C9 C4 C3 121.5(5) . .
C4 C5 C6 121.1(5) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C5 C6 C7 119.9(5) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C8 C7 C6 118.9(4) . .
C8 C7 N4 122.0(5) . .
C6 C7 N4 118.9(4) . .
C9 C8 C7 120.8(5) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C8 C9 C4 120.5(5) . .
C8 C9 H9 119.7 . .
C4 C9 H9 119.7 . .
N5 C10 N7 113.8(4) . .
N5 C10 H10 123.1 . .
N7 C10 H10 123.1 . .
N6 C11 N7 110.2(4) . .
N6 C11 H11 124.9 . .
N7 C11 H11 124.9 . .
N6 C12 C13 111.9(4) . .
N6 C12 H12C 109.2 . .
C13 C12 H12C 109.2 . .
N6 C12 H12D 109.2 . .
C13 C12 H12D 109.2 . .
H12C C12 H12D 107.9 . .
C18 C13 C14 119.0(4) . .
C18 C13 C12 121.7(4) . .
C14 C13 C12 119.3(4) . .
C13 C14 C15 120.8(4) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C16 C15 C14 119.5(4) . .
C16 C15 H15 120.2 . .
C14 C15 H15 120.2 . .
C15 C16 C17 120.0(4) . .
C15 C16 N8 120.0(4) . .
C17 C16 N8 120.0(4) . .
C18 C17 C16 120.1(5) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C13 120.6(4) . .
C17 C18 H18 119.7 . .
C13 C18 H18 119.7 . .
N9 C19 N11 114.4(4) . .
N9 C19 H19 122.8 . .
N11 C19 H19 122.8 . .
N10 C20 N11 110.0(4) . .
N10 C20 H20 125.0 . .
N11 C20 H20 125.0 . .
N10 C21 C22 113.0(4) . .
N10 C21 H21A 109.0 . .
C22 C21 H21A 109.0 . .
N10 C21 H21B 109.0 . .
C22 C21 H21B 109.0 . .
H21A C21 H21B 107.8 . .
C23 C22 C27 118.6(4) . .
C23 C22 C21 120.5(4) . .
C27 C22 C21 120.8(4) . .
C22 C23 C24 121.2(5) . .
C22 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
C25 C24 C23 120.2(4) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
C24 C25 C26 119.0(4) . .
C24 C25 N12 120.8(4) . .
C26 C25 N12 120.1(4) . .
C27 C26 C25 120.4(4) . .
C27 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
C26 C27 C22 120.6(4) . .
C26 C27 H27 119.7 . .
C22 C27 H27 119.7 . .
F2 C28 F1 109.1(4) . .
F2 C28 F3 108.6(4) . .
F1 C28 F3 107.4(4) . .
F2 C28 S1 110.9(4) . .
F1 C28 S1 110.9(4) . .
F3 C28 S1 109.9(4) . .
F5 C29 F4 108.1(5) . .
F5 C29 F6 107.7(5) . .
F4 C29 F6 108.0(5) . .
F5 C29 S2 111.4(4) . .
F4 C29 S2 110.3(4) . .
F6 C29 S2 111.3(4) . .
F7 C30 F9 107.7(6) . .
F7 C30 F8 107.6(6) . .
F9 C30 F8 106.6(7) . .
F7 C30 S3 111.8(6) . .
F9 C30 S3 111.6(4) . .
F8 C30 S3 111.2(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N7 2.198(4) .
Ag1 N1 2.276(4) .
Ag1 N8 2.363(4) 3_445
Ag1 O1 2.702(4) .
Ag2 N11 2.173(4) .
Ag2 N5 2.249(4) .
Ag2 N12 2.504(4) 3_455
Ag3 N3 2.196(4) 2_665
Ag3 N4 2.295(4) 4
Ag3 N9 2.379(4) .
S1 O3 1.442(4) .
S1 O2 1.442(4) .
S1 O4 1.448(4) .
S1 C28 1.830(6) .
S2 O5 1.426(4) .
S2 O7 1.441(3) .
S2 O6 1.444(4) .
S2 C29 1.817(6) .
S3 O10 1.428(4) .
S3 O8 1.430(5) .
S3 O9 1.440(4) .
S3 C30 1.805(7) .
F1 C28 1.325(6) .
F2 C28 1.311(6) .
F3 C28 1.341(6) .
F4 C29 1.329(7) .
F5 C29 1.327(7) .
F6 C29 1.328(8) .
F7 C30 1.329(8) .
F8 C30 1.348(9) .
F9 C30 1.346(8) .
N1 C1 1.308(6) .
N1 N2 1.370(5) .
N2 C2 1.330(6) .
N2 C3 1.472(6) .
N3 C2 1.323(6) .
N3 C1 1.361(6) .
N3 Ag3 2.196(4) 2_464
N4 C7 1.416(6) .
N4 Ag3 2.295(4) 4_454
N4 H4A 0.8800 .
N4 H4B 0.8800 .
N5 C10 1.313(6) .
N5 N6 1.364(5) .
N6 C11 1.317(6) .
N6 C12 1.473(6) .
N7 C11 1.324(6) .
N7 C10 1.346(6) .
N8 C16 1.419(6) .
N8 Ag1 2.363(4) 3
N8 H8A 0.8800 .
N8 H8B 0.8800 .
N9 C19 1.315(6) .
N9 N10 1.374(5) .
N10 C20 1.324(6) .
N10 C21 1.462(6) .
N11 C20 1.339(6) .
N11 C19 1.353(6) .
N12 C25 1.407(6) .
N12 Ag2 2.504(4) 3_545
N12 H12A 0.8800 .
N12 H12B 0.8800 .
C1 H1 0.9500 .
C2 H2 0.9500 .
C3 C4 1.507(6) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.382(7) .
C4 C9 1.390(7) .
C5 C6 1.389(7) .
C5 H5 0.9500 .
C6 C7 1.390(7) .
C6 H6 0.9500 .
C7 C8 1.389(7) .
C8 C9 1.378(7) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C13 1.505(6) .
C12 H12C 0.9900 .
C12 H12D 0.9900 .
C13 C18 1.389(7) .
C13 C14 1.396(6) .
C14 C15 1.396(7) .
C14 H14 0.9500 .
C15 C16 1.383(7) .
C15 H15 0.9500 .
C16 C17 1.400(6) .
C17 C18 1.384(7) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.509(7) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.383(6) .
C22 C27 1.400(7) .
C23 C24 1.392(7) .
C23 H23 0.9500 .
C24 C25 1.387(7) .
C24 H24 0.9500 .
C25 C26 1.404(6) .
C26 C27 1.385(7) .
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
C1 N1 N2 C2 -0.5(5) .
Ag1 N1 N2 C2 -169.8(3) .
C1 N1 N2 C3 -175.8(4) .
Ag1 N1 N2 C3 14.9(6) .
C10 N5 N6 C11 0.5(5) .
Ag2 N5 N6 C11 -173.1(3) .
C10 N5 N6 C12 174.6(4) .
Ag2 N5 N6 C12 1.0(6) .
C19 N9 N10 C20 0.4(5) .
Ag3 N9 N10 C20 166.3(3) .
C19 N9 N10 C21 174.7(4) .
Ag3 N9 N10 C21 -19.5(5) .
N2 N1 C1 N3 -0.4(5) .
Ag1 N1 C1 N3 168.8(3) .
C2 N3 C1 N1 1.2(5) .
Ag3 N3 C1 N1 -167.7(3) 2_464
C1 N3 C2 N2 -1.4(5) .
Ag3 N3 C2 N2 168.4(3) 2_464
N1 N2 C2 N3 1.3(5) .
C3 N2 C2 N3 176.2(4) .
C2 N2 C3 C4 136.1(5) .
N1 N2 C3 C4 -49.6(6) .
N2 C3 C4 C5 105.2(5) .
N2 C3 C4 C9 -76.8(6) .
C9 C4 C5 C6 0.2(7) .
C3 C4 C5 C6 178.3(4) .
C4 C5 C6 C7 -0.2(7) .
C5 C6 C7 C8 0.3(7) .
C5 C6 C7 N4 -175.0(5) .
Ag3 N4 C7 C8 -111.8(5) 4_454
Ag3 N4 C7 C6 63.3(5) 4_454
C6 C7 C8 C9 -0.4(8) .
N4 C7 C8 C9 174.8(5) .
C7 C8 C9 C4 0.4(8) .
C5 C4 C9 C8 -0.3(8) .
C3 C4 C9 C8 -178.4(5) .
N6 N5 C10 N7 -0.2(5) .
Ag2 N5 C10 N7 173.8(3) .
C11 N7 C10 N5 -0.1(6) .
Ag1 N7 C10 N5 -166.8(3) .
N5 N6 C11 N7 -0.6(5) .
C12 N6 C11 N7 -174.2(4) .
C10 N7 C11 N6 0.4(5) .
Ag1 N7 C11 N6 166.3(3) .
C11 N6 C12 C13 -145.7(5) .
N5 N6 C12 C13 41.4(6) .
N6 C12 C13 C18 55.6(6) .
N6 C12 C13 C14 -124.3(5) .
C18 C13 C14 C15 1.1(7) .
C12 C13 C14 C15 -179.0(4) .
C13 C14 C15 C16 -1.4(7) .
C14 C15 C16 C17 0.6(7) .
C14 C15 C16 N8 177.7(4) .
Ag1 N8 C16 C15 -89.9(4) 3
Ag1 N8 C16 C17 87.2(4) 3
C15 C16 C17 C18 0.4(7) .
N8 C16 C17 C18 -176.6(4) .
C16 C17 C18 C13 -0.7(7) .
C14 C13 C18 C17 0.0(7) .
C12 C13 C18 C17 -179.9(5) .
N10 N9 C19 N11 -0.2(5) .
Ag3 N9 C19 N11 -161.6(3) .
C20 N11 C19 N9 -0.1(6) .
Ag2 N11 C19 N9 179.1(3) .
N9 N10 C20 N11 -0.6(6) .
C21 N10 C20 N11 -174.1(4) .
C19 N11 C20 N10 0.4(5) .
Ag2 N11 C20 N10 -178.8(3) .
C20 N10 C21 C22 -127.9(5) .
N9 N10 C21 C22 59.2(6) .
N10 C21 C22 C23 -122.7(5) .
N10 C21 C22 C27 61.3(6) .
C27 C22 C23 C24 0.6(7) .
C21 C22 C23 C24 -175.5(4) .
C22 C23 C24 C25 -0.2(7) .
C23 C24 C25 C26 -0.2(7) .
C23 C24 C25 N12 175.7(4) .
Ag2 N12 C25 C24 -82.9(5) 3_545
Ag2 N12 C25 C26 93.0(4) 3_545
C24 C25 C26 C27 0.3(7) .
N12 C25 C26 C27 -175.7(4) .
C25 C26 C27 C22 0.1(7) .
C23 C22 C27 C26 -0.5(7) .
C21 C22 C27 C26 175.5(4) .
O3 S1 C28 F2 -60.9(4) .
O2 S1 C28 F2 179.0(4) .
O4 S1 C28 F2 58.6(4) .
O3 S1 C28 F1 60.4(4) .
O2 S1 C28 F1 -59.6(4) .
O4 S1 C28 F1 179.9(4) .
O3 S1 C28 F3 179.0(3) .
O2 S1 C28 F3 59.0(4) .
O4 S1 C28 F3 -61.5(4) .
O5 S2 C29 F5 -55.4(5) .
O7 S2 C29 F5 66.0(5) .
O6 S2 C29 F5 -175.1(4) .
O5 S2 C29 F4 64.6(5) .
O7 S2 C29 F4 -174.0(4) .
O6 S2 C29 F4 -55.1(5) .
O5 S2 C29 F6 -175.6(4) .
O7 S2 C29 F6 -54.2(5) .
O6 S2 C29 F6 64.7(5) .
O10 S3 C30 F7 176.7(5) .
O8 S3 C30 F7 56.0(6) .
O9 S3 C30 F7 -63.9(5) .
O10 S3 C30 F9 -62.6(5) .
O8 S3 C30 F9 176.7(5) .
O9 S3 C30 F9 56.8(5) .
O10 S3 C30 F8 56.3(6) .
O8 S3 C30 F8 -64.4(6) .
O9 S3 C30 F8 175.7(5) .
