#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:17:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179475 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/72/4337283.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_4337283
loop_
_publ_author_name
'Veronelli, Mattia'
'Kindermann, Nicole'
'Dechert, Sebastian'
'Meyer, Steffen'
'Meyer, Franc'
_publ_section_title
;
 Crowning of coinage metal pyrazolates: double-decker homo- and
 heteronuclear complexes with synergic emissive properties.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2333
_journal_page_last               2341
_journal_paper_doi               10.1021/ic5001792
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C59 H51 Ag3 Cu3 F12 N6 O6 S8 +, C F3 O3 S -'
_chemical_formula_sum            'C60 H51 Ag3 Cu3 F15 N6 O9 S9'
_chemical_formula_weight         2087.84
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.767(4)
_cell_angle_beta                 102.466(4)
_cell_angle_gamma                102.723(4)
_cell_formula_units_Z            2
_cell_length_a                   15.0772(8)
_cell_length_b                   17.1629(10)
_cell_length_c                   17.1699(9)
_cell_measurement_reflns_used    26637
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      25.79
_cell_measurement_theta_min      1.39
_cell_volume                     3564.3(4)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       ω
_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  0.0473
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26637
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.79
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    2.049
_exptl_absorpt_correction_T_max  0.8267
_exptl_absorpt_correction_T_min  0.7081
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-RED (Stoe & Cie, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.085
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     947
_refine_ls_number_reflns         13251
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0517
_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)+(0.0631P)²+5.5179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1180
_refine_ls_wR_factor_ref         0.1251
_reflns_number_gt                10627
_reflns_number_total             13251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5001792_si_002.cif
_cod_data_source_block           '[CuAgL]3(OTf)3-mv16'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        3564.3(3)
_cod_database_code               4337283
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.83949(4) 0.88030(3) 0.68173(3) 0.03849(12) Uani 1 1 d .
Ag2 Ag 0.36365(3) 0.88407(3) 0.71518(3) 0.03442(12) Uani 1 1 d .
Ag3 Ag 0.44933(3) 0.60490(3) 0.24910(3) 0.03289(11) Uani 1 1 d .
Cu1 Cu 0.61255(5) 0.58385(5) 0.50338(5) 0.02676(15) Uani 1 1 d .
Cu2 Cu 0.57650(5) 0.71104(5) 0.69592(5) 0.02766(15) Uani 1 1 d .
Cu3 Cu 0.40061(5) 0.59040(5) 0.50435(4) 0.02578(15) Uani 1 1 d .
S1 S 0.94996(11) 0.83328(11) 0.59432(10) 0.0343(3) Uani 1 1 d .
S2 S 0.82411(11) 0.98637(11) 0.83711(11) 0.0357(3) Uani 1 1 d .
S11 S 0.49881(11) 0.99180(11) 0.87035(10) 0.0342(3) Uani 1 1 d .
S12 S 0.27778(10) 0.78550(10) 0.54107(10) 0.0295(3) Uani 1 1 d .
S21 S 0.29118(11) 0.62561(10) 0.24426(10) 0.0323(3) Uani 1 1 d .
S22 S 0.58957(11) 0.57735(11) 0.19971(10) 0.0316(3) Uani 1 1 d .
N1 N 0.7186(3) 0.6657(3) 0.6167(3) 0.0266(10) Uani 1 1 d .
N2 N 0.7011(3) 0.7156(4) 0.6982(3) 0.0301(10) Uani 1 1 d .
N11 N 0.4549(3) 0.7130(3) 0.6989(3) 0.0259(9) Uani 1 1 d .
N12 N 0.3769(3) 0.6581(3) 0.6136(3) 0.0261(9) Uani 1 1 d .
N21 N 0.4180(3) 0.5217(3) 0.3912(3) 0.0257(9) Uani 1 1 d .
N22 N 0.5071(3) 0.5166(3) 0.3901(3) 0.0251(9) Uani 1 1 d .
F1 F 0.7949(3) 0.7315(3) 0.2022(3) 0.0565(11) Uani 1 1 d .
F2 F 1.1860(3) 1.3221(3) 1.0358(3) 0.0535(10) Uani 1 1 d .
F11 F 0.8085(3) 1.2528(3) 0.8530(4) 0.0648(12) Uani 1 1 d .
F12 F 0.0615(3) 0.9631(3) 0.3908(3) 0.0516(10) Uani 1 1 d .
F21 F 0.0047(3) 0.3534(3) -0.1441(3) 0.0551(11) Uani 1 1 d .
F22 F 0.4492(4) 0.2117(3) -0.1624(3) 0.0702(13) Uani 1 1 d .
C1 C 0.8619(4) 0.7573(5) 0.7357(4) 0.0336(13) Uani 1 1 d .
H1 H 0.9288 0.7865 0.7706 0.040 Uiso 1 1 calc R
C2 C 0.8152(4) 0.6909(4) 0.6386(4) 0.0289(12) Uani 1 1 d .
C3 C 0.7868(4) 0.7703(4) 0.7693(4) 0.0323(12) Uani 1 1 d .
C4 C 0.8563(4) 0.6534(4) 0.5639(4) 0.0311(12) Uani 1 1 d .
H4A H 0.8101 0.6364 0.5044 0.037 Uiso 1 1 calc R
H4B H 0.8654 0.5964 0.5562 0.037 Uiso 1 1 calc R
C5 C 0.9545(4) 0.7252(4) 0.5871(4) 0.0319(12) Uani 1 1 d .
H5A H 0.9805 0.6944 0.5390 0.038 Uiso 1 1 calc R
H5B H 0.9998 0.7424 0.6471 0.038 Uiso 1 1 calc R
C6 C 0.8945(4) 0.7933(4) 0.4727(4) 0.0316(12) Uani 1 1 d .
C7 C 0.8179(4) 0.8181(4) 0.4446(4) 0.0345(13) Uani 1 1 d .
H7 H 0.7899 0.8491 0.4872 0.041 Uiso 1 1 calc R
C8 C 0.7829(5) 0.7965(5) 0.3523(5) 0.0418(15) Uani 1 1 d .
H8 H 0.7311 0.8119 0.3317 0.050 Uiso 1 1 calc R
C9 C 0.8274(5) 0.7518(5) 0.2925(4) 0.0390(14) Uani 1 1 d .
C10 C 0.9014(5) 0.7241(5) 0.3172(5) 0.0423(15) Uani 1 1 d .
H10 H 0.9272 0.6910 0.2735 0.051 Uiso 1 1 calc R
C11 C 0.9365(5) 0.7472(5) 0.4095(4) 0.0392(14) Uani 1 1 d .
H11 H 0.9887 0.7318 0.4293 0.047 Uiso 1 1 calc R
C12 C 0.7920(4) 0.8383(5) 0.8663(4) 0.0351(13) Uani 1 1 d .
H12A H 0.8125 0.8166 0.9077 0.042 Uiso 1 1 calc R
H12B H 0.7274 0.8396 0.8635 0.042 Uiso 1 1 calc R
C13 C 0.8632(5) 0.9381(4) 0.9076(4) 0.0355(13) Uani 1 1 d .
H13A H 0.9276 0.9367 0.9098 0.043 Uiso 1 1 calc R
H13B H 0.8677 0.9791 0.9719 0.043 Uiso 1 1 calc R
C14 C 0.9299(4) 1.0928(4) 0.8948(4) 0.0340(13) Uani 1 1 d .
C15 C 0.9579(5) 1.1556(5) 0.9908(4) 0.0374(14) Uani 1 1 d .
H15 H 0.9194 1.1451 1.0232 0.045 Uiso 1 1 calc R
C16 C 1.0448(5) 1.2354(5) 1.0392(5) 0.0437(15) Uani 1 1 d .
H16 H 1.0653 1.2786 1.1040 0.052 Uiso 1 1 calc R
C17 C 1.0983(5) 1.2478(5) 0.9887(5) 0.0407(14) Uani 1 1 d .
C18 C 1.0700(6) 1.1895(5) 0.8934(5) 0.0465(17) Uani 1 1 d .
H18 H 1.1066 1.2028 0.8609 0.056 Uiso 1 1 calc R
C19 C 0.9858(5) 1.1105(5) 0.8466(5) 0.0414(15) Uani 1 1 d .
H19 H 0.9661 1.0684 0.7817 0.050 Uiso 1 1 calc R
C21 C 0.3209(4) 0.7330(4) 0.7267(4) 0.0265(11) Uani 1 1 d .
H21 H 0.2795 0.7539 0.7576 0.032 Uiso 1 1 calc R
C22 C 0.4220(4) 0.7586(4) 0.7676(4) 0.0264(11) Uani 1 1 d .
C23 C 0.2955(4) 0.6698(4) 0.6302(4) 0.0252(11) Uani 1 1 d .
C24 C 0.4920(4) 0.8276(4) 0.8677(4) 0.0325(12) Uani 1 1 d .
H24A H 0.5296 0.7963 0.8871 0.039 Uiso 1 1 calc R
H24B H 0.4550 0.8466 0.9085 0.039 Uiso 1 1 calc R
C25 C 0.5621(5) 0.9160(4) 0.8817(4) 0.0367(13) Uani 1 1 d .
H25A H 0.5925 0.8972 0.8350 0.044 Uiso 1 1 calc R
H25B H 0.6133 0.9514 0.9440 0.044 Uiso 1 1 calc R
C26 C 0.5919(5) 1.0710(4) 0.8640(5) 0.0373(14) Uani 1 1 d .
C27 C 0.6731(5) 1.1382(4) 0.9448(4) 0.0375(14) Uani 1 1 d .
H27 H 0.6791 1.1417 1.0015 0.045 Uiso 1 1 calc R
C28 C 0.7458(5) 1.2006(5) 0.9409(5) 0.0431(15) Uani 1 1 d .
H28 H 0.8004 1.2468 0.9950 0.052 Uiso 1 1 calc R
C29 C 0.7356(5) 1.1929(5) 0.8561(5) 0.0476(16) Uani 1 1 d .
C30 C 0.6561(6) 1.1288(7) 0.7763(6) 0.067(2) Uani 1 1 d .
H30 H 0.6502 1.1270 0.7204 0.080 Uiso 1 1 calc R
C31 C 0.5832(6) 1.0657(6) 0.7793(5) 0.056(2) Uani 1 1 d .
H31 H 0.5289 1.0200 0.7247 0.068 Uiso 1 1 calc R
C32 C 0.2021(4) 0.6272(4) 0.5489(4) 0.0284(11) Uani 1 1 d .
H32A H 0.1504 0.5927 0.5590 0.034 Uiso 1 1 calc R
H32B H 0.2085 0.5822 0.4916 0.034 Uiso 1 1 calc R
C33 C 0.1726(4) 0.7008(4) 0.5346(4) 0.0301(12) Uani 1 1 d .
H33A H 0.1482 0.7348 0.5830 0.036 Uiso 1 1 calc R
H33B H 0.1204 0.6689 0.4734 0.036 Uiso 1 1 calc R
C34 C 0.2164(4) 0.8441(4) 0.5004(4) 0.0302(12) Uani 1 1 d .
C35 C 0.1984(5) 0.8202(5) 0.4066(4) 0.0375(14) Uani 1 1 d .
H35 H 0.2207 0.7758 0.3685 0.045 Uiso 1 1 calc R
C36 C 0.1488(5) 0.8610(5) 0.3701(5) 0.0421(15) Uani 1 1 d .
H36 H 0.1385 0.8463 0.3086 0.050 Uiso 1 1 calc R
C37 C 0.1149(5) 0.9246(5) 0.4280(5) 0.0379(14) Uani 1 1 d .
C38 C 0.1302(5) 0.9506(4) 0.5194(4) 0.0372(14) Uani 1 1 d .
H38 H 0.1068 0.9946 0.5564 0.045 Uiso 1 1 calc R
C39 C 0.1816(4) 0.9096(4) 0.5560(4) 0.0334(13) Uani 1 1 d .
H39 H 0.1927 0.9261 0.6180 0.040 Uiso 1 1 calc R
C51 C 0.4063(4) 0.4453(4) 0.2402(4) 0.0261(11) Uani 1 1 d .
H51 H 0.3819 0.4132 0.1744 0.031 Uiso 1 1 calc R
C52 C 0.3566(4) 0.4787(4) 0.3007(4) 0.0251(11) Uani 1 1 d .
C53 C 0.5011(4) 0.4707(4) 0.3000(4) 0.0265(11) Uani 1 1 d .
C54 C 0.2550(4) 0.4793(4) 0.2812(4) 0.0301(12) Uani 1 1 d .
H54A H 0.2241 0.4561 0.3143 0.036 Uiso 1 1 calc R
H54B H 0.2171 0.4364 0.2139 0.036 Uiso 1 1 calc R
C55 C 0.2536(4) 0.5779(4) 0.3122(4) 0.0323(12) Uani 1 1 d .
H55A H 0.2963 0.6214 0.3782 0.039 Uiso 1 1 calc R
H55B H 0.1878 0.5758 0.3080 0.039 Uiso 1 1 calc R
C56 C 0.2028(4) 0.5404(4) 0.1270(4) 0.0309(12) Uani 1 1 d .
C57 C 0.2309(5) 0.5261(5) 0.0518(4) 0.0377(14) Uani 1 1 d .
H57 H 0.2950 0.5586 0.0629 0.045 Uiso 1 1 calc R
C58 C 0.1644(5) 0.4636(5) -0.0405(5) 0.0439(15) Uani 1 1 d .
H58 H 0.1829 0.4538 -0.0916 0.053 Uiso 1 1 calc R
C59 C 0.0700(5) 0.4163(5) -0.0544(4) 0.0426(15) Uani 1 1 d .
C60 C 0.0398(5) 0.4302(5) 0.0195(4) 0.0373(14) Uani 1 1 d .
H60 H -0.0241 0.3968 0.0080 0.045 Uiso 1 1 calc R
C61 C 0.1060(5) 0.4945(5) 0.1109(4) 0.0368(13) Uani 1 1 d .
H61 H 0.0861 0.5071 0.1618 0.044 Uiso 1 1 calc R
C62 C 0.5919(4) 0.4651(4) 0.2789(4) 0.0274(11) Uani 1 1 d .
H62A H 0.5736 0.4102 0.2159 0.033 Uiso 1 1 calc R
H62B H 0.6328 0.4560 0.3235 0.033 Uiso 1 1 calc R
C63 C 0.6514(4) 0.5538(4) 0.2846(4) 0.0326(12) Uani 1 1 d .
H63A H 0.7113 0.5472 0.2755 0.039 Uiso 1 1 calc R
H63B H 0.6697 0.6083 0.3478 0.039 Uiso 1 1 calc R
C64 C 0.5460(4) 0.4647(4) 0.0929(4) 0.0319(12) Uani 1 1 d .
C65 C 0.6098(5) 0.4188(5) 0.0663(5) 0.0393(14) Uani 1 1 d .
H65 H 0.6751 0.4460 0.1063 0.047 Uiso 1 1 calc R
C66 C 0.5769(6) 0.3331(5) -0.0188(5) 0.0492(17) Uani 1 1 d .
H66 H 0.6192 0.3021 -0.0365 0.059 Uiso 1 1 calc R
C67 C 0.4809(6) 0.2950(5) -0.0764(5) 0.0466(17) Uani 1 1 d .
C68 C 0.4152(5) 0.3365(5) -0.0533(5) 0.0467(16) Uani 1 1 d .
H68 H 0.3500 0.3078 -0.0939 0.056 Uiso 1 1 calc R
C69 C 0.4481(5) 0.4226(5) 0.0324(4) 0.0372(14) Uani 1 1 d .
H69 H 0.4047 0.4523 0.0495 0.045 Uiso 1 1 calc R
S31 S 0.57870(11) 0.79166(11) 0.50228(11) 0.0334(3) Uani 1 1 d .
O31 O 0.6750(4) 0.8452(4) 0.5740(4) 0.0535(12) Uani 1 1 d .
O32 O 0.5764(4) 0.7232(3) 0.4106(3) 0.0452(11) Uani 1 1 d .
O33 O 0.5037(4) 0.7589(4) 0.5302(4) 0.0635(15) Uani 1 1 d .
F31 F 0.6123(5) 0.9168(4) 0.4560(5) 0.0922(18) Uani 1 1 d .
F32 F 0.5435(5) 0.9480(4) 0.5575(4) 0.0810(16) Uani 1 1 d .
F33 F 0.4614(4) 0.8395(4) 0.4131(4) 0.093(2) Uani 1 1 d .
C131 C 0.5477(6) 0.8795(5) 0.4821(5) 0.0498(17) Uani 1 1 d .
S41 S 0.19107(11) 0.93040(11) 0.83339(10) 0.0345(3) Uani 1 1 d .
O41 O 0.2560(4) 0.9328(4) 0.9091(4) 0.0627(15) Uani 1 1 d .
O42 O 0.1995(3) 0.8776(3) 0.7430(3) 0.0384(10) Uani 1 1 d .
O43 O 0.0930(4) 0.9153(4) 0.8298(4) 0.0588(15) Uani 1 1 d .
F41 F 0.3302(4) 1.0769(3) 0.8686(5) 0.0775(16) Uani 1 1 d .
F42 F 0.2371(4) 1.1138(3) 0.9459(3) 0.0589(11) Uani 1 1 d .
F43 F 0.1862(5) 1.0618(4) 0.7978(3) 0.0732(15) Uani 1 1 d .
C141 C 0.2379(5) 1.0514(5) 0.8622(5) 0.0419(15) Uani 1 1 d .
S51A S 0.92502(14) 1.50410(14) 1.29063(14) 0.0522(4) Uani 1 1 d .
O51A O 1.0127(4) 1.5656(4) 1.2988(4) 0.0547(13) Uani 1 1 d .
O52A O 0.9186(7) 1.5263(5) 1.3801(5) 0.107(3) Uani 1 1 d .
O53A O 0.8376(5) 1.4806(5) 1.2214(5) 0.091(2) Uani 1 1 d .
F51A F 1.0328(5) 1.4064(5) 1.3007(7) 0.125(3) Uani 1 1 d .
F52A F 0.9509(6) 1.3619(5) 1.1632(5) 0.114(3) Uani 1 1 d .
F53A F 0.8791(6) 1.3275(4) 1.2425(7) 0.139(4) Uani 1 1 d .
C15A C 0.9463(6) 1.3961(7) 1.2526(7) 0.065(2) 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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_3
S1 Ag1 O31 112.07(12) .
S1 Ag1 S2 147.50(5) .
O31 Ag1 S2 97.61(13) .
S11 Ag2 S12 159.36(5) .
S11 Ag2 C21 97.27(13) .
S12 Ag2 C21 91.45(13) .
S21 Ag3 O32 109.65(11) .
S21 Ag3 S22 160.25(5) .
O32 Ag3 S22 85.50(11) .
S21 Ag3 C51 98.70(13) .
O32 Ag3 C51 104.74(17) .
S22 Ag3 C51 89.15(12) .
N22 Cu1 N1 172.3(2) .
N22 Cu1 Cu3 89.84(14) 2_666
N1 Cu1 Cu3 97.90(15) 2_666
N11 Cu2 N2 177.0(2) .
N12 Cu3 N21 177.0(2) .
N12 Cu3 Cu1 101.64(14) 2_666
N21 Cu3 Cu1 79.29(14) 2_666
C6 S1 C5 102.3(3) .
C6 S1 Ag1 111.2(2) .
C5 S1 Ag1 105.50(18) .
C14 S2 C13 99.0(3) .
C14 S2 Ag1 103.7(2) .
C13 S2 Ag1 102.9(2) .
C26 S11 C25 99.9(3) .
C26 S11 Ag2 110.6(2) .
C25 S11 Ag2 103.7(2) .
C34 S12 C33 99.6(3) .
C34 S12 Ag2 111.2(2) .
C33 S12 Ag2 98.46(19) .
C56 S21 C55 102.4(3) .
C56 S21 Ag3 108.08(19) .
C55 S21 Ag3 102.1(2) .
C64 S22 C63 101.1(3) .
C64 S22 Ag3 109.2(2) .
C63 S22 Ag3 101.19(19) .
C2 N1 N2 108.6(4) .
C2 N1 Cu1 132.9(4) .
N2 N1 Cu1 118.5(3) .
C3 N2 N1 107.9(4) .
C3 N2 Cu2 129.7(4) .
N1 N2 Cu2 122.0(4) .
C22 N11 N12 108.5(4) .
C22 N11 Cu2 134.6(4) .
N12 N11 Cu2 117.0(3) .
C23 N12 N11 108.2(4) .
C23 N12 Cu3 133.4(4) .
N11 N12 Cu3 118.4(3) .
C52 N21 N22 108.1(4) .
C52 N21 Cu3 130.3(4) .
N22 N21 Cu3 121.2(3) .
C53 N22 N21 108.6(4) .
C53 N22 Cu1 131.8(4) .
N21 N22 Cu1 118.8(3) .
C3 C1 C2 105.1(5) .
N1 C2 C1 108.7(5) .
N1 C2 C4 120.9(5) .
C1 C2 C4 130.4(5) .
N2 C3 C1 109.7(5) .
N2 C3 C12 120.4(5) .
C1 C3 C12 129.7(5) .
C2 C4 C5 112.5(5) .
C4 C5 S1 115.5(4) .
C7 C6 C11 120.4(6) .
C7 C6 S1 120.1(4) .
C11 C6 S1 119.1(5) .
C6 C7 C8 119.6(6) .
C9 C8 C7 117.9(6) .
F1 C9 C10 117.5(6) .
F1 C9 C8 118.5(6) .
C10 C9 C8 123.9(6) .
C9 C10 C11 117.6(6) .
C10 C11 C6 120.4(6) .
C3 C12 C13 111.8(5) .
C12 C13 S2 111.5(4) .
C15 C14 C19 119.9(6) .
C15 C14 S2 118.3(5) .
C19 C14 S2 121.7(5) .
C14 C15 C16 119.5(6) .
C17 C16 C15 118.0(6) .
C16 C17 C18 123.6(6) .
C16 C17 F2 118.7(6) .
C18 C17 F2 117.7(6) .
C17 C18 C19 118.0(6) .
C18 C19 C14 120.8(6) .
C23 C21 C22 105.6(5) .
C23 C21 Ag2 93.8(3) .
C22 C21 Ag2 86.8(3) .
N11 C22 C21 108.8(5) .
N11 C22 C24 120.3(5) .
C21 C22 C24 130.8(5) .
N12 C23 C21 108.9(5) .
N12 C23 C32 119.6(5) .
C21 C23 C32 131.0(5) .
C22 C24 C25 113.3(5) .
C24 C25 S11 111.5(4) .
C27 C26 C31 120.2(6) .
C27 C26 S11 119.0(5) .
C31 C26 S11 120.8(5) .
C26 C27 C28 119.6(6) .
C29 C28 C27 118.9(6) .
C30 C29 F11 119.3(7) .
C30 C29 C28 122.6(7) .
F11 C29 C28 118.1(7) .
C29 C30 C31 118.9(7) .
C26 C31 C30 119.7(7) .
C23 C32 C33 113.2(5) .
C32 C33 S12 110.8(4) .
C39 C34 C35 118.6(5) .
C39 C34 S12 122.6(4) .
C35 C34 S12 118.7(4) .
C36 C35 C34 121.5(6) .
C35 C36 C37 117.4(6) .
C38 C37 C36 123.7(6) .
C38 C37 F12 118.4(6) .
C36 C37 F12 117.9(6) .
C37 C38 C39 118.3(6) .
C34 C39 C38 120.4(6) .
C52 C51 C53 104.9(5) .
C52 C51 Ag3 88.0(3) .
C53 C51 Ag3 92.8(3) .
N21 C52 C51 109.2(5) .
N21 C52 C54 119.5(5) .
C51 C52 C54 131.2(5) .
N22 C53 C51 109.2(5) .
N22 C53 C62 119.6(5) .
C51 C53 C62 130.7(5) .
C52 C54 C55 112.5(5) .
C54 C55 S21 115.4(4) .
C57 C56 C61 120.1(6) .
C57 C56 S21 118.1(5) .
C61 C56 S21 121.6(4) .
C56 C57 C58 120.5(6) .
C59 C58 C57 118.2(6) .
F21 C59 C60 118.6(6) .
F21 C59 C58 119.0(6) .
C60 C59 C58 122.4(6) .
C59 C60 C61 118.8(6) .
C60 C61 C56 119.9(6) .
C53 C62 C63 113.2(5) .
C62 C63 S22 115.3(4) .
C65 C64 C69 119.0(6) .
C65 C64 S22 120.5(5) .
C69 C64 S22 120.4(5) .
C66 C65 C64 120.5(6) .
C67 C66 C65 118.6(7) .
C66 C67 C68 123.3(6) .
C66 C67 F22 118.5(7) .
C68 C67 F22 118.2(7) .
C67 C68 C69 118.3(7) .
C68 C69 C64 120.3(6) .
O33 S31 O31 115.9(4) .
O33 S31 O32 115.3(3) .
O31 S31 O32 113.8(3) .
O33 S31 C131 104.0(4) .
O31 S31 C131 103.0(3) .
O32 S31 C131 102.3(3) .
S31 O31 Ag1 159.6(4) .
S31 O32 Ag3 136.7(3) .
F32 C131 F31 108.6(7) .
F32 C131 F33 107.5(7) .
F31 C131 F33 107.1(7) .
F32 C131 S31 112.2(5) .
F31 C131 S31 110.7(6) .
F33 C131 S31 110.5(5) .
O41 S41 O43 115.7(4) .
O41 S41 O42 114.9(3) .
O43 S41 O42 114.5(3) .
O41 S41 C141 103.5(3) .
O43 S41 C141 103.6(3) .
O42 S41 C141 102.0(3) .
F43 C141 F41 108.1(6) .
F43 C141 F42 107.6(5) .
F41 C141 F42 106.3(6) .
F43 C141 S41 111.6(5) .
F41 C141 S41 111.1(4) .
F42 C141 S41 111.9(5) .
O53A S51A O52A 114.8(6) .
O53A S51A O51A 117.4(5) .
O52A S51A O51A 113.4(4) .
O53A S51A C15A 105.4(5) .
O52A S51A C15A 100.9(5) .
O51A S51A C15A 102.2(3) .
F53A C15A F51A 110.9(9) .
F53A C15A F52A 104.6(9) .
F51A C15A F52A 100.9(7) .
F53A C15A S51A 115.9(6) .
F51A C15A S51A 114.4(8) .
F52A C15A S51A 108.7(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S1 2.4941(15) .
Ag1 O31 2.502(5) .
Ag1 S2 2.5324(16) .
Ag2 S11 2.4650(16) .
Ag2 S12 2.4753(15) .
Ag2 C21 2.641(5) .
Ag3 S21 2.4768(15) .
Ag3 O32 2.496(5) .
Ag3 S22 2.5009(15) .
Ag3 C51 2.594(5) .
Cu1 N22 1.846(5) .
Cu1 N1 1.854(5) .
Cu1 Cu3 2.8910(10) 2_666
Cu2 N11 1.853(4) .
Cu2 N2 1.854(5) .
Cu3 N12 1.855(4) .
Cu3 N21 1.859(4) .
Cu3 Cu1 2.8910(10) 2_666
S1 C6 1.785(6) .
S1 C5 1.818(6) .
S2 C14 1.792(7) .
S2 C13 1.827(6) .
S11 C26 1.788(7) .
S11 C25 1.829(6) .
S12 C34 1.773(6) .
S12 C33 1.845(6) .
S21 C56 1.791(6) .
S21 C55 1.822(6) .
S22 C64 1.775(6) .
S22 C63 1.813(6) .
N1 C2 1.336(7) .
N1 N2 1.379(6) .
N2 C3 1.326(8) .
N11 C22 1.347(7) .
N11 N12 1.377(6) .
N12 C23 1.354(7) .
N21 C52 1.350(7) .
N21 N22 1.369(6) .
N22 C53 1.340(7) .
F1 C9 1.364(7) .
F2 C17 1.365(8) .
F11 C29 1.359(8) .
F12 C37 1.377(7) .
F21 C59 1.354(8) .
F22 C67 1.372(8) .
C1 C3 1.391(8) .
C1 C2 1.394(8) .
C2 C4 1.482(8) .
C3 C12 1.496(8) .
C4 C5 1.533(8) .
C6 C7 1.384(9) .
C6 C11 1.387(9) .
C7 C8 1.391(9) .
C8 C9 1.371(10) .
C9 C10 1.367(10) .
C10 C11 1.381(9) .
C12 C13 1.523(9) .
C14 C15 1.378(9) .
C14 C19 1.382(9) .
C15 C16 1.400(9) .
C16 C17 1.358(9) .
C17 C18 1.358(10) .
C18 C19 1.372(10) .
C21 C23 1.392(8) .
C21 C22 1.402(8) .
C22 C24 1.497(8) .
C23 C32 1.488(8) .
C24 C25 1.523(9) .
C26 C27 1.381(9) .
C26 C31 1.389(10) .
C27 C28 1.391(9) .
C28 C29 1.370(10) .
C29 C30 1.352(11) .
C30 C31 1.391(11) .
C32 C33 1.529(8) .
C34 C39 1.387(8) .
C34 C35 1.408(8) .
C35 C36 1.371(9) .
C36 C37 1.377(9) .
C37 C38 1.366(9) .
C38 C39 1.389(9) .
C51 C52 1.393(8) .
C51 C53 1.401(8) .
C52 C54 1.499(8) .
C53 C62 1.501(7) .
C54 C55 1.527(8) .
C56 C57 1.377(8) .
C56 C61 1.395(9) .
C57 C58 1.387(9) .
C58 C59 1.381(10) .
C59 C60 1.374(9) .
C60 C61 1.380(9) .
C62 C63 1.534(8) .
C64 C65 1.394(9) .
C64 C69 1.396(9) .
C65 C66 1.381(10) .
C66 C67 1.364(11) .
C67 C68 1.365(11) .
C68 C69 1.390(10) .
S31 O33 1.425(5) .
S31 O31 1.434(5) .
S31 O32 1.447(5) .
S31 C131 1.827(8) .
F31 C131 1.319(9) .
F32 C131 1.308(9) .
F33 C131 1.324(9) .
S41 O41 1.426(5) .
S41 O43 1.427(5) .
S41 O42 1.439(4) .
S41 C141 1.817(7) .
F41 C141 1.327(8) .
F42 C141 1.340(8) .
F43 C141 1.317(8) .
S51A O53A 1.399(6) .
S51A O52A 1.431(7) .
S51A O51A 1.431(5) .
S51A C15A 1.787(9) .
F51A C15A 1.307(11) .
F52A C15A 1.390(11) .
F53A C15A 1.285(10) .
