#------------------------------------------------------------------------------
#$Date: 2019-10-29 03:51:13 +0100 (mar 29 de oct de 2019) $
#$Revision: 220347 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/14/7701449.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_7701449
loop_
_publ_author_name
'Bauer, Elisabeth B.'
'Bernd, Marco A.'
'Schütz, Max'
'Oberkofler, Jens'
'Pöthig, Alexander'
'Reich, Robert M.'
'Kühn, Fritz E'
_publ_section_title
;
 Synthesis, characterization, and biological studies of multidentate
 gold(i) and gold(iii) NHC complexes.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/c9dt03183a
_journal_year                    2019
_chemical_compound_source        'see text'
_chemical_formula_structural     'C68 H48 N16 F12 O12 S4'
_chemical_formula_sum            'C82.49 H70.3 Ag4 F12 N23.43 O12 S4'
_chemical_formula_weight         2369.71
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2019-07-31 deposited with the CCDC.    2019-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                66.978(2)
_cell_angle_beta                 88.564(2)
_cell_angle_gamma                72.316(2)
_cell_formula_units_Z            1
_cell_length_a                   11.7540(8)
_cell_length_b                   14.5132(10)
_cell_length_c                   15.3083(11)
_cell_measurement_reflns_used    9818
_cell_measurement_temperature    119
_cell_measurement_theta_max      30.8247
_cell_measurement_theta_min      2.6978
_cell_volume                     2276.7(3)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX III Control Software (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'
_computing_structure_refinement
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      119
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'TXS rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0202
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            68072
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    1.038
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            'clear orange'
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1185
_exptl_crystal_size_max          0.472
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.084
_refine_diff_density_max         1.131
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     737
_refine_ls_number_reflns         8642
_refine_ls_number_restraints     348
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[Σ²(FO²)+(0.0268P)²+6.8323P] WHERE P=(FO²+2FC²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0747
_reflns_number_gt                7693
_reflns_number_total             8642
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c9dt03183a2.cif
_cod_data_source_block           berma10_0m-auto
_cod_original_formula_sum        'C82.49 H70.30 Ag4 F12 N23.43 O12 S4'
_cod_database_code               7701449
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
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 1.01163(2) 0.05445(2) 0.34371(2) 0.01325(6) Uani 1 1 d . . . . .
N1 N 1.2739(2) -0.07355(19) 0.34123(18) 0.0135(5) Uani 1 1 d . . . . .
O1 O 0.9560(3) 0.3236(2) 0.8042(2) 0.0458(7) Uani 1 1 d . . . . .
S1 S 0.89563(8) 0.41581(7) 0.82174(6) 0.02620(19) Uani 1 1 d . . . . .
C1 C 1.1593(3) -0.0741(2) 0.3498(2) 0.0130(6) Uani 1 1 d . . . . .
Ag2 Ag 0.88676(2) -0.07382(2) 0.48818(2) 0.01292(6) Uani 1 1 d . . . . .
C2 C 1.3428(3) -0.1563(2) 0.3172(2) 0.0156(6) Uani 1 1 d . . . . .
N2 N 1.1543(2) -0.15773(19) 0.33280(18) 0.0135(5) Uani 1 1 d . . . . .
O2 O 0.9739(3) 0.4650(2) 0.84363(19) 0.0405(7) Uani 1 1 d . . . . .
N3 N 1.0456(2) -0.26032(19) 0.44249(18) 0.0135(5) Uani 1 1 d . . . . .
C3 C 1.4608(3) -0.1843(3) 0.2956(2) 0.0217(7) Uani 1 1 d . . . . .
H3 H 1.5131 -0.1463 0.2974 0.026 Uiso 1 1 calc R U . . .
O3 O 0.7917(3) 0.4857(2) 0.7562(2) 0.0425(7) Uani 1 1 d . . . . .
N4 N 1.0322(2) -0.31236(19) 0.59407(18) 0.0126(5) Uani 1 1 d . . . . .
C4 C 1.4979(3) -0.2704(3) 0.2712(3) 0.0262(8) Uani 1 1 d . . . . .
H4 H 1.5787 -0.2937 0.2583 0.031 Uiso 1 1 calc R U . . .
C16 C 1.0166(3) -0.3082(2) 0.6875(2) 0.0144(6) Uani 1 1 d . . . . .
H16A H 0.9431 -0.2498 0.6826 0.017 Uiso 1 1 calc R U . . .
H16B H 1.0064 -0.3751 0.7331 0.017 Uiso 1 1 calc R U . . .
C15 C 1.0868(3) -0.4041(2) 0.5785(2) 0.0153(6) Uani 1 1 d . U . . .
C14 C 1.1216(3) -0.5107(2) 0.6388(2) 0.0202(7) Uani 1 1 d . U . . .
H14 H 1.1147 -0.5339 0.7053 0.024 Uiso 1 1 calc R U . . .
C13 C 1.1670(3) -0.5814(3) 0.5966(3) 0.0254(7) Uani 1 1 d . U . . .
H13 H 1.1929 -0.6551 0.6353 0.030 Uiso 1 1 calc R U . . .
C17 C 1.1323(3) -0.1960(2) 0.6980(2) 0.0133(6) Uani 1 1 d . . . . .
N5 N 1.1196(2) -0.29219(19) 0.72334(17) 0.0131(5) Uani 1 1 d . . . . .
C5 C 1.4197(3) -0.3240(3) 0.2650(3) 0.0251(7) Uani 1 1 d . . . . .
H5 H 1.4483 -0.3821 0.2471 0.030 Uiso 1 1 calc R U . . .
N6 N 1.2452(2) -0.21392(19) 0.73373(18) 0.0137(5) Uani 1 1 d . . . . .
C6 C 1.3019(3) -0.2946(3) 0.2842(2) 0.0213(7) Uani 1 1 d . . . . .
H6 H 1.2483 -0.3302 0.2790 0.026 Uiso 1 1 calc R U . . .
N7 N 1.3487(2) -0.10633(19) 0.62126(18) 0.0134(5) Uani 1 1 d . . . . .
C7 C 1.2655(3) -0.2103(2) 0.3118(2) 0.0147(6) Uani 1 1 d . . . . .
C8 C 1.0473(3) -0.1911(2) 0.3434(2) 0.0143(6) Uani 1 1 d . . . . .
H8A H 0.9745 -0.1282 0.3232 0.017 Uiso 1 1 calc R U . . .
H8AB H 1.0469 -0.2289 0.3019 0.017 Uiso 1 1 calc R U . . .
N8 N 1.3576(2) -0.04841(19) 0.46835(18) 0.0127(5) Uani 1 1 d . . . . .
C9 C 1.0065(2) -0.2251(2) 0.5111(2) 0.0131(6) Uani 1 1 d . . . . .
N9 N 0.7031(3) 0.2858(3) 0.4478(2) 0.0308(7) Uani 1 1 d . . . . .
C20 C 1.3595(3) -0.5379(3) 0.8769(2) 0.0211(5) Uani 1 1 d . U . . .
H20 H 1.3805 -0.6124 0.9097 0.025 Uiso 1 1 calc R U . . .
C24 C 1.2990(3) -0.1302(2) 0.7132(2) 0.0147(6) Uani 1 1 d . . . . .
H24A H 1.3637 -0.1525 0.7645 0.018 Uiso 1 1 calc R U . . .
H24B H 1.2373 -0.0657 0.7123 0.018 Uiso 1 1 calc R U . . .
C23 C 1.3038(3) -0.3225(2) 0.7839(2) 0.0158(4) Uani 1 1 d . U . . .
C22 C 1.4157(3) -0.3791(2) 0.8372(2) 0.0191(5) Uani 1 1 d . U . . .
H22 H 1.4709 -0.3450 0.8425 0.023 Uiso 1 1 calc R U . . .
C21 C 1.4421(3) -0.4878(3) 0.8821(2) 0.0218(5) Uani 1 1 d . U . . .
H21 H 1.5185 -0.5294 0.9173 0.026 Uiso 1 1 calc R U . . .
C25 C 1.2820(3) -0.0432(2) 0.5361(2) 0.0127(6) Uani 1 1 d . . . . .
C26 C 1.4682(3) -0.1516(2) 0.6087(2) 0.0151(6) Uani 1 1 d . . . . .
C27 C 1.5698(3) -0.2185(2) 0.6730(2) 0.0194(7) Uani 1 1 d . . . . .
H27 H 1.5665 -0.2439 0.7401 0.023 Uiso 1 1 calc R U . . .
C28 C 1.6755(3) -0.2457(3) 0.6338(3) 0.0224(7) Uani 1 1 d . . . . .
H28 H 1.7462 -0.2930 0.6752 0.027 Uiso 1 1 calc R U . . .
C32 C 1.3196(3) -0.0033(2) 0.3663(2) 0.0138(6) Uani 1 1 d . . . . .
H32A H 1.2561 0.0659 0.3485 0.017 Uiso 1 1 calc R U . . .
H32B H 1.3885 0.0085 0.3301 0.017 Uiso 1 1 calc R U . . .
C31 C 1.4738(3) -0.1141(2) 0.5107(2) 0.0146(6) Uani 1 1 d . . . . .
C30 C 1.5810(3) -0.1382(2) 0.4710(2) 0.0168(6) Uani 1 1 d . . . . .
H30 H 1.5849 -0.1100 0.4040 0.020 Uiso 1 1 calc R U . . .
C29 C 1.6817(3) -0.2058(2) 0.5351(3) 0.0203(7) Uani 1 1 d . . . . .
H29 H 1.7567 -0.2255 0.5114 0.024 Uiso 1 1 calc R U . . .
C33 C 0.8267(9) 0.3661(9) 0.9342(9) 0.0508(8) Uani 0.591(10) 1 d D U P A 3
F1 F 0.7555(6) 0.4501(6) 0.9490(4) 0.0509(9) Uani 0.591(10) 1 d D U P A 3
F2 F 0.7573(7) 0.3160(7) 0.9167(4) 0.0499(9) Uani 0.591(10) 1 d D U P A 3
F3 F 0.9067(6) 0.3092(6) 1.0106(4) 0.0555(9) Uani 0.591(10) 1 d D U P A 3
C33A C 0.8415(12) 0.3565(13) 0.9326(12) 0.0510(8) Uani 0.409(10) 1 d D U P A 4
F1A F 0.7946(10) 0.4185(8) 0.9777(6) 0.0528(9) Uani 0.409(10) 1 d D U P A 4
F2A F 0.7629(11) 0.3052(10) 0.9423(6) 0.0501(10) Uani 0.409(10) 1 d D U P A 4
F3A F 0.9363(8) 0.2748(8) 0.9927(6) 0.0535(10) Uani 0.409(10) 1 d D U P A 4
C35 C 0.6074(3) 0.3365(3) 0.4423(3) 0.0260(8) Uani 1 1 d . . . . .
C36 C 0.4821(4) 0.4002(3) 0.4372(4) 0.0510(12) Uani 1 1 d . . . . .
H36A H 0.4353 0.4044 0.3829 0.076 Uiso 1 1 calc R U . . .
H36B H 0.4786 0.4714 0.4290 0.076 Uiso 1 1 calc R U . . .
H36C H 0.4486 0.3672 0.4963 0.076 Uiso 1 1 calc R U . . .
C37 C 0.1435(3) 0.2642(3) 1.1314(3) 0.0258(8) Uani 1 1 d . . . . .
C38 C 0.1501(4) 0.3592(3) 1.0524(3) 0.0378(9) Uani 1 1 d . . . . .
H38A H 0.1246 0.3591 0.9920 0.057 Uiso 1 1 calc R U . . .
H38B H 0.2330 0.3606 1.0521 0.057 Uiso 1 1 calc R U . . .
H38C H 0.0973 0.4217 1.0600 0.057 Uiso 1 1 calc R U . . .
C40 C 0.2444(6) 0.1689(5) 0.8442(4) 0.0659(16) Uani 0.906(3) 1 d . U P . .
H40A H 0.3271 0.1437 0.8738 0.099 Uiso 0.906(3) 1 calc R U P . .
H40B H 0.1952 0.1351 0.8906 0.099 Uiso 0.906(3) 1 calc R U P . .
H40C H 0.2119 0.2457 0.8237 0.099 Uiso 0.906(3) 1 calc R U P . .
N11 N 0.2398(3) 0.1277(3) 0.6959(3) 0.0282(8) Uani 0.906(3) 1 d . U P . .
C39 C 0.2430(4) 0.1419(3) 0.7596(3) 0.0310(9) Uani 0.906(3) 1 d . U P . .
C41 C 1.0215(5) 0.0326(5) 1.1174(4) 0.0528(11) Uani 0.906(3) 1 d . U P . .
N12 N 0.9422(4) 0.0298(4) 1.1597(3) 0.0518(11) Uani 0.906(3) 1 d . U P . .
C42 C 1.1292(6) 0.0335(6) 1.0683(5) 0.0749(15) Uani 0.906(3) 1 d . U P . .
H42A H 1.1075 0.0882 1.0032 0.112 Uiso 0.906(3) 1 calc R U P . .
H42B H 1.1669 -0.0356 1.0660 0.112 Uiso 0.906(3) 1 calc R U P . .
H42C H 1.1856 0.0485 1.1028 0.112 Uiso 0.906(3) 1 calc R U P . .
N10 N 0.1379(3) 0.1914(3) 1.1934(2) 0.0244(7) Uani 0.906(3) 1 d . . P . .
C10 C 1.0952(3) -0.3705(2) 0.4812(2) 0.0155(6) Uani 1 1 d . U . . .
C11 C 1.1389(3) -0.4412(3) 0.4385(2) 0.0147(7) Uani 0.906(3) 1 d . U P . .
H11 H 1.1434 -0.4179 0.3716 0.018 Uiso 0.906(3) 1 calc R U P . .
C12 C 1.1753(3) -0.5469(3) 0.4984(3) 0.0194(7) Uani 0.906(3) 1 d . U P . .
H12 H 1.2070 -0.5977 0.4722 0.023 Uiso 0.906(3) 1 calc R U P . .
C18 C 1.2226(3) -0.3727(3) 0.7779(2) 0.0132(5) Uani 0.906(3) 1 d . U P . .
C19 C 1.2476(3) -0.4811(3) 0.8251(2) 0.0158(5) Uani 0.906(3) 1 d . U P . .
H19 H 1.1908 -0.5147 0.8221 0.019 Uiso 0.906(3) 1 calc R U P . .
F4 F 0.6767(3) 0.1114(3) 1.0765(2) 0.0457(7) Uani 0.906(3) 1 d D U P B 1
F5 F 0.5603(3) 0.2206(3) 0.9500(2) 0.0565(7) Uani 0.906(3) 1 d D U P B 1
F6 F 0.5887(3) 0.0560(3) 0.9959(2) 0.0512(6) Uani 0.906(3) 1 d D U P B 1
C34 C 0.5749(5) 0.1307(4) 1.0276(4) 0.0453(6) Uani 0.906(3) 1 d D U P B 1
O4 O 0.4440(6) 0.2384(4) 1.1107(5) 0.0351(9) Uani 0.906(3) 1 d D U P B 1
O5 O 0.4855(3) 0.0510(4) 1.1826(3) 0.0593(11) Uani 0.906(3) 1 d D U P B 1
O6 O 0.3501(3) 0.1577(3) 1.0356(3) 0.0433(8) Uani 0.906(3) 1 d D U P B 1
F4A F 0.684(3) 0.118(3) 1.052(2) 0.0486(10) Uani 0.094(3) 1 d D U P B 2
F5A F 0.539(2) 0.165(2) 0.9419(17) 0.0493(10) Uani 0.094(3) 1 d D U P B 2
F6A F 0.609(2) 0.008(2) 1.052(2) 0.0463(11) Uani 0.094(3) 1 d D U P B 2
C34A C 0.577(3) 0.113(2) 1.035(2) 0.0476(7) Uani 0.094(3) 1 d D U P B 2
O4A O 0.440(6) 0.235(4) 1.102(5) 0.0349(18) Uani 0.094(3) 1 d D U P B 2
O5A O 0.526(3) 0.052(4) 1.207(2) 0.057(2) Uani 0.094(3) 1 d D U P B 2
O6A O 0.365(3) 0.106(3) 1.083(3) 0.0492(14) Uani 0.094(3) 1 d D U P B 2
S2 S 0.44932(8) 0.14352(7) 1.09827(6) 0.02476(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'
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'
S S 0.1246 0.1234 ' 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
C17 Ag1 C1 166.12(11) 2_756 .
C17 Ag1 Ag2 94.99(8) 2_756 .
C1 Ag1 Ag2 95.58(8) . .
C17 Ag1 Ag2 95.59(8) 2_756 2_756
C1 Ag1 Ag2 94.46(8) . 2_756
Ag2 Ag1 Ag2 83.849(10) . 2_756
C1 N1 C2 111.1(2) . .
C1 N1 C32 122.5(2) . .
C2 N1 C32 125.9(2) . .
O3 S1 O1 113.90(18) . .
O3 S1 O2 115.89(19) . .
O1 S1 O2 114.71(18) . .
O3 S1 C33A 106.0(5) . .
O1 S1 C33A 100.1(5) . .
O2 S1 C33A 103.9(5) . .
O3 S1 C33 101.2(4) . .
O1 S1 C33 104.9(4) . .
O2 S1 C33 103.9(3) . .
N1 C1 N2 105.8(2) . .
N1 C1 Ag1 125.4(2) . .
N2 C1 Ag1 125.8(2) . .
C25 Ag2 C9 156.15(11) 2_756 .
C25 Ag2 Ag1 98.61(8) 2_756 .
C9 Ag2 Ag1 98.18(8) . .
C25 Ag2 Ag1 97.88(8) 2_756 2_756
C9 Ag2 Ag1 97.02(8) . 2_756
Ag1 Ag2 Ag1 96.151(10) . 2_756
C7 C2 C3 121.6(3) . .
C7 C2 N1 105.8(2) . .
C3 C2 N1 132.5(3) . .
C1 N2 C7 111.2(2) . .
C1 N2 C8 122.7(2) . .
C7 N2 C8 125.9(2) . .
C9 N3 C10 111.1(2) . .
C9 N3 C8 123.8(2) . .
C10 N3 C8 124.8(2) . .
C4 C3 C2 116.5(3) . .
C4 C3 H3 121.7 . .
C2 C3 H3 121.7 . .
C9 N4 C15 111.1(2) . .
C9 N4 C16 123.3(2) . .
C15 N4 C16 125.2(2) . .
C3 C4 C5 121.8(3) . .
C3 C4 H4 119.1 . .
C5 C4 H4 119.1 . .
N5 C16 N4 111.2(2) . .
N5 C16 H16A 109.4 . .
N4 C16 H16A 109.4 . .
N5 C16 H16B 109.4 . .
N4 C16 H16B 109.4 . .
H16A C16 H16B 108.0 . .
C10 C15 C14 121.6(3) . .
C10 C15 N4 105.8(3) . .
C14 C15 N4 132.4(3) . .
C13 C14 C15 116.5(3) . .
C13 C14 H14 121.8 . .
C15 C14 H14 121.8 . .
C14 C13 C12 121.5(3) . .
C14 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
N5 C17 N6 105.9(2) . .
N5 C17 Ag1 124.2(2) . 2_756
N6 C17 Ag1 126.8(2) . 2_756
C17 N5 C18 111.4(2) . .
C17 N5 C16 123.0(2) . .
C18 N5 C16 125.2(3) . .
C6 C5 C4 121.6(3) . .
C6 C5 H5 119.2 . .
C4 C5 H5 119.2 . .
C17 N6 C23 110.7(2) . .
C17 N6 C24 123.1(2) . .
C23 N6 C24 126.0(2) . .
C5 C6 C7 116.7(3) . .
C5 C6 H6 121.6 . .
C7 C6 H6 121.6 . .
C25 N7 C26 111.0(2) . .
C25 N7 C24 123.8(2) . .
C26 N7 C24 125.0(3) . .
C2 C7 C6 121.8(3) . .
C2 C7 N2 106.0(3) . .
C6 C7 N2 132.1(3) . .
N3 C8 N2 110.5(2) . .
N3 C8 H8A 109.5 . .
N2 C8 H8A 109.5 . .
N3 C8 H8AB 109.6 . .
N2 C8 H8AB 109.6 . .
H8A C8 H8AB 108.1 . .
C25 N8 C31 110.7(2) . .
C25 N8 C32 124.3(2) . .
C31 N8 C32 124.6(2) . .
N3 C9 N4 105.8(2) . .
N3 C9 Ag2 125.8(2) . .
N4 C9 Ag2 126.2(2) . .
C19 C20 C21 121.4(3) . .
C19 C20 H20 119.3 . .
C21 C20 H20 119.3 . .
N6 C24 N7 111.3(2) . .
N6 C24 H24A 109.4 . .
N7 C24 H24A 109.4 . .
N6 C24 H24B 109.4 . .
N7 C24 H24B 109.4 . .
H24A C24 H24B 108.0 . .
C18 C23 C22 121.4(3) . .
C18 C23 N6 106.1(3) . .
C22 C23 N6 132.3(3) . .
C21 C22 C23 116.5(3) . .
C21 C22 H22 121.7 . .
C23 C22 H22 121.7 . .
C22 C21 C20 121.9(3) . .
C22 C21 H21 119.1 . .
C20 C21 H21 119.1 . .
N7 C25 N8 106.0(2) . .
N7 C25 Ag2 126.8(2) . 2_756
N8 C25 Ag2 124.8(2) . 2_756
C31 C26 C27 121.5(3) . .
C31 C26 N7 105.9(3) . .
C27 C26 N7 132.6(3) . .
C28 C27 C26 116.4(3) . .
C28 C27 H27 121.8 . .
C26 C27 H27 121.8 . .
C27 C28 C29 122.1(3) . .
C27 C28 H28 119.0 . .
C29 C28 H28 119.0 . .
N1 C32 N8 110.8(2) . .
N1 C32 H32A 109.5 . .
N8 C32 H32A 109.5 . .
N1 C32 H32B 109.5 . .
N8 C32 H32B 109.5 . .
H32A C32 H32B 108.1 . .
C26 C31 C30 122.3(3) . .
C26 C31 N8 106.3(2) . .
C30 C31 N8 131.2(3) . .
C29 C30 C31 116.0(3) . .
C29 C30 H30 122.0 . .
C31 C30 H30 122.0 . .
C30 C29 C28 121.6(3) . .
C30 C29 H29 119.2 . .
C28 C29 H29 119.2 . .
F3 C33 F2 115.3(9) . .
F3 C33 F1 106.4(8) . .
F2 C33 F1 108.5(8) . .
F3 C33 S1 113.3(7) . .
F2 C33 S1 104.9(8) . .
F1 C33 S1 108.3(8) . .
F1A C33A F2A 101.6(12) . .
F1A C33A F3A 107.0(12) . .
F2A C33A F3A 99.0(11) . .
F1A C33A S1 116.4(11) . .
F2A C33A S1 122.9(11) . .
F3A C33A S1 107.8(9) . .
N9 C35 C36 178.5(4) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N10 C37 C38 179.0(4) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N11 C39 C40 176.4(5) . .
N12 C41 C42 176.3(6) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C15 C10 C11 122.0(3) . .
C15 C10 N3 106.2(3) . .
C11 C10 N3 131.6(3) . .
C12 C11 C10 116.4(3) . .
C12 C11 H11 121.8 . .
C10 C11 H11 121.8 . .
C11 C12 C13 122.0(3) . .
C11 C12 H12 119.0 . .
C13 C12 H12 119.0 . .
C19 C18 C23 122.1(3) . .
C19 C18 N5 132.0(3) . .
C23 C18 N5 105.8(3) . .
C20 C19 C18 116.7(3) . .
C20 C19 H19 121.7 . .
C18 C19 H19 121.7 . .
F6 C34 F4 108.3(4) . .
F6 C34 F5 106.1(4) . .
F4 C34 F5 106.3(4) . .
F6 C34 S2 113.2(4) . .
F4 C34 S2 111.4(3) . .
F5 C34 S2 111.2(3) . .
F4A C34A F5A 110(2) . .
F4A C34A F6A 99(2) . .
F5A C34A F6A 106(2) . .
F4A C34A S2 125(3) . .
F5A C34A S2 107(2) . .
F6A C34A S2 108.3(19) . .
O4A S2 O6A 130(3) . .
O5 S2 O6 117.9(3) . .
O5 S2 O4 114.2(3) . .
O6 S2 O4 113.2(3) . .
O4A S2 O5A 103(3) . .
O6A S2 O5A 105(2) . .
O4A S2 C34A 107(3) . .
O6A S2 C34A 111.1(17) . .
O5A S2 C34A 92.8(15) . .
O5 S2 C34 104.4(2) . .
O6 S2 C34 102.9(2) . .
O4 S2 C34 101.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C17 2.099(3) 2_756
Ag1 C1 2.100(3) .
Ag1 Ag2 2.9645(3) .
Ag1 Ag2 3.0087(4) 2_756
N1 C1 1.352(4) .
N1 C2 1.405(4) .
N1 C32 1.458(4) .
O1 S1 1.436(3) .
S1 O3 1.428(3) .
S1 O2 1.439(3) .
S1 C33A 1.778(18) .
S1 C33 1.859(12) .
C1 N2 1.354(4) .
Ag2 C25 2.110(3) 2_756
Ag2 C9 2.114(3) .
Ag2 Ag1 3.0087(4) 2_756
C2 C7 1.391(4) .
C2 C3 1.392(4) .
N2 C7 1.399(4) .
N2 C8 1.463(4) .
N3 C9 1.353(4) .
N3 C10 1.399(4) .
N3 C8 1.459(4) .
C3 C4 1.385(5) .
C3 H3 0.9500 .
N4 C9 1.355(4) .
N4 C15 1.401(4) .
N4 C16 1.460(4) .
C4 C5 1.399(5) .
C4 H4 0.9500 .
C16 N5 1.457(4) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C15 C10 1.387(4) .
C15 C14 1.389(4) .
C14 C13 1.387(5) .
C14 H14 0.9500 .
C13 C12 1.398(5) .
C13 H13 0.9500 .
C17 N5 1.350(4) .
C17 N6 1.358(4) .
C17 Ag1 2.099(3) 2_756
N5 C18 1.398(4) .
C5 C6 1.380(5) .
C5 H5 0.9500 .
N6 C23 1.403(4) .
N6 C24 1.461(4) .
C6 C7 1.391(4) .
C6 H6 0.9500 .
N7 C25 1.355(4) .
N7 C26 1.402(4) .
N7 C24 1.464(4) .
C8 H8A 0.9900 .
C8 H8AB 0.9900 .
N8 C25 1.358(4) .
N8 C31 1.402(4) .
N8 C32 1.458(4) .
N9 C35 1.126(5) .
C20 C19 1.386(5) .
C20 C21 1.398(5) .
C20 H20 0.9500 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C23 C18 1.389(4) .
C23 C22 1.394(4) .
C22 C21 1.386(5) .
C22 H22 0.9500 .
C21 H21 0.9500 .
C25 Ag2 2.110(3) 2_756
C26 C31 1.389(4) .
C26 C27 1.394(4) .
C27 C28 1.382(5) .
C27 H27 0.9500 .
C28 C29 1.400(5) .
C28 H28 0.9500 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C31 C30 1.392(4) .
C30 C29 1.388(5) .
C30 H30 0.9500 .
C29 H29 0.9500 .
C33 F3 1.327(10) .
C33 F2 1.338(9) .
C33 F1 1.351(10) .
C33A F1A 1.324(14) .
C33A F2A 1.325(13) .
C33A F3A 1.374(13) .
C35 C36 1.466(6) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 N10 1.131(5) .
C37 C38 1.458(5) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C40 C39 1.494(8) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
N11 C39 1.078(5) .
C41 N12 1.123(6) .
C41 C42 1.456(8) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C10 C11 1.389(4) .
C11 C12 1.377(5) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C18 C19 1.387(5) .
C19 H19 0.9500 .
F4 C34 1.322(5) .
F5 C34 1.343(6) .
F6 C34 1.319(6) .
C34 S2 1.814(5) .
O4 S2 1.445(4) .
O5 S2 1.406(4) .
O6 S2 1.441(3) .
F4A C34A 1.324(19) .
F5A C34A 1.329(19) .
F6A C34A 1.38(2) .
C34A S2 1.80(3) .
O4A S2 1.32(4) .
O5A S2 1.73(4) .
O6A S2 1.33(3) .
