#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:55:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179218 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/44/4314489.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_4314489
loop_
_publ_author_name
'Dmitry Pogozhev'
'Stéphane A. Baudron'
'Mir Wais Hosseini'
_publ_contact_author
; Prof Mir Wais Hosseini
  Laboratoire de Chimie de Coordination Organique, 
  UMR CNRS 7140, Université Louis Pasteur,
  F-67000 Strasbourg, France 
;
_publ_contact_author_email       hosseini@unistra.fr
_publ_contact_author_fax         '33 3 68 85 13 23'
_publ_contact_author_phone       '33 3 68 85 13 25'
_publ_section_title
;
 Assembly of Heteroleptic Copper Complexes with Silver Salts: From
 Discrete Trinuclear Complexes to Infinite Networks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              331
_journal_page_last               338
_journal_paper_doi               10.1021/ic902057d
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C46 H40 Ag Cu2 N8 O4, 2(C6 H6), F6 Sb'
_chemical_formula_sum            'C58 H52 Ag Cu2 F6 N8 O4 Sb'
_chemical_formula_weight         1395.78
_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                110.1590(10)
_cell_angle_beta                 97.3400(10)
_cell_angle_gamma                95.1390(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2596(2)
_cell_length_b                   15.4490(3)
_cell_length_c                   19.2748(4)
_cell_measurement_reflns_used    8654
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.44
_cell_measurement_theta_min      2.39
_cell_volume                     2814.97(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            33360
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    1.637
_exptl_absorpt_correction_T_max  0.8940
_exptl_absorpt_correction_T_min  0.8033
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.371
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     725
_refine_ls_number_reflns         12742
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0452
_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)+(0.0536P)²+2.9346P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1332
_reflns_number_gt                9946
_reflns_number_total             12742
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902057d_si_001_08.cif
_cod_data_source_block           compound11
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4314489
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3204(4) 1.0463(3) 0.7903(3) 0.0376(10) Uani 1 1 d . . .
H1 H 0.2793 1.0982 0.8113 0.045 Uiso 1 1 calc R . .
C2 C 0.2584(4) 0.9660(3) 0.7300(3) 0.0384(11) Uani 1 1 d . . .
H2 H 0.1714 0.9552 0.7050 0.046 Uiso 1 1 calc R . .
C3 C 0.3512(4) 0.9069(3) 0.7152(2) 0.0343(10) Uani 1 1 d . . .
H3 H 0.3399 0.8486 0.6774 0.041 Uiso 1 1 calc R . .
C4 C 0.4687(4) 0.9514(3) 0.7686(2) 0.0279(9) Uani 1 1 d . . .
C5 C 0.5869(4) 0.9162(3) 0.7761(2) 0.0288(9) Uani 1 1 d . . .
C6 C 0.6985(4) 0.9609(3) 0.8319(2) 0.0304(9) Uani 1 1 d . . .
C7 C 0.8139(4) 0.9235(3) 0.8479(3) 0.0362(10) Uani 1 1 d . . .
H7 H 0.8324 0.8641 0.8223 0.043 Uiso 1 1 calc R . .
C8 C 0.8935(5) 0.9909(3) 0.9080(3) 0.0431(12) Uani 1 1 d . . .
H8 H 0.9767 0.9863 0.9309 0.052 Uiso 1 1 calc R . .
C9 C 0.8261(4) 1.0678(3) 0.9284(3) 0.0385(11) Uani 1 1 d . . .
H9 H 0.8588 1.1235 0.9679 0.046 Uiso 1 1 calc R . .
C10 C 0.6001(4) 0.8220(3) 0.7227(2) 0.0294(9) Uani 1 1 d . . .
C11 C 0.5146(4) 0.7430(3) 0.7171(2) 0.0328(9) Uani 1 1 d . . .
H11 H 0.4477 0.7497 0.7460 0.039 Uiso 1 1 calc R . .
C12 C 0.5283(4) 0.6551(3) 0.6690(2) 0.0327(9) Uani 1 1 d . . .
H12 H 0.4707 0.6033 0.6656 0.039 Uiso 1 1 calc R . .
C13 C 0.6282(4) 0.6452(3) 0.6262(2) 0.0264(8) Uani 1 1 d . . .
C14 C 0.7126(4) 0.7228(3) 0.6305(2) 0.0304(9) Uani 1 1 d . . .
H14 H 0.7791 0.7162 0.6012 0.036 Uiso 1 1 calc R . .
C15 C 0.6977(4) 0.8101(3) 0.6786(2) 0.0304(9) Uani 1 1 d . . .
H15 H 0.7546 0.8619 0.6812 0.036 Uiso 1 1 calc R . .
C16 C 0.5968(4) 0.4731(3) 0.5823(3) 0.0323(9) Uani 1 1 d . . .
H16 H 0.5460 0.4675 0.6176 0.039 Uiso 1 1 calc R . .
C17 C 0.7134(4) 0.5340(3) 0.5187(3) 0.0358(10) Uani 1 1 d . . .
H17 H 0.7574 0.5759 0.5016 0.043 Uiso 1 1 calc R . .
C18 C 0.7044(4) 0.4399(3) 0.4904(3) 0.0367(10) Uani 1 1 d . . .
H18 H 0.7422 0.4061 0.4499 0.044 Uiso 1 1 calc R . .
C19 C 0.3592(5) 1.3627(3) 0.9123(3) 0.0468(12) Uani 1 1 d . . .
H19A H 0.3748 1.3860 0.8734 0.070 Uiso 1 1 calc R . .
H19B H 0.3543 1.4138 0.9572 0.070 Uiso 1 1 calc R . .
H19C H 0.2770 1.3209 0.8965 0.070 Uiso 1 1 calc R . .
C20 C 0.4711(5) 1.3115(3) 0.9275(3) 0.0368(10) Uani 1 1 d . . .
C21 C 0.5796(5) 1.3582(3) 0.9832(3) 0.0431(12) Uani 1 1 d . . .
H21 H 0.5764 1.4195 1.0132 0.052 Uiso 1 1 calc R . .
C22 C 0.6922(5) 1.3194(3) 0.9972(3) 0.0390(11) Uani 1 1 d . . .
C23 C 0.8075(5) 1.3776(3) 1.0558(3) 0.0541(14) Uani 1 1 d . . .
H23A H 0.8191 1.3537 1.0957 0.081 Uiso 1 1 calc R . .
H23B H 0.7905 1.4409 1.0753 0.081 Uiso 1 1 calc R . .
H23C H 0.8865 1.3754 1.0338 0.081 Uiso 1 1 calc R . .
C24 C 0.2183(5) -0.5598(3) 0.0799(3) 0.0395(11) Uani 1 1 d . . .
H24 H 0.1848 -0.6179 0.0436 0.047 Uiso 1 1 calc R . .
C25 C 0.1566(5) -0.4803(3) 0.0904(3) 0.0407(11) Uani 1 1 d . . .
H25 H 0.0778 -0.4759 0.0629 0.049 Uiso 1 1 calc R . .
C26 C 0.2356(4) -0.4103(3) 0.1492(3) 0.0371(10) Uani 1 1 d . . .
H26 H 0.2201 -0.3489 0.1693 0.044 Uiso 1 1 calc R . .
C27 C 0.3449(4) -0.4480(3) 0.1738(2) 0.0298(9) Uani 1 1 d . . .
C28 C 0.4483(4) -0.4030(3) 0.2340(2) 0.0276(8) Uani 1 1 d . . .
C29 C 0.5573(4) -0.4426(3) 0.2534(2) 0.0284(9) Uani 1 1 d . . .
C30 C 0.6616(4) -0.4015(3) 0.3156(2) 0.0322(9) Uani 1 1 d . . .
H30 H 0.6700 -0.3422 0.3519 0.039 Uiso 1 1 calc R . .
C31 C 0.7473(4) -0.4646(3) 0.3124(3) 0.0381(10) Uani 1 1 d . . .
H31 H 0.8255 -0.4565 0.3456 0.046 Uiso 1 1 calc R . .
C32 C 0.6946(4) -0.5448(3) 0.2490(3) 0.0355(10) Uani 1 1 d . . .
H32 H 0.7340 -0.5987 0.2337 0.043 Uiso 1 1 calc R . .
C33 C 0.4400(4) -0.3044(3) 0.2799(2) 0.0285(9) Uani 1 1 d . . .
C34 C 0.3338(4) -0.2821(3) 0.3172(2) 0.0313(9) Uani 1 1 d . . .
H34 H 0.2678 -0.3293 0.3140 0.038 Uiso 1 1 calc R . .
C35 C 0.3245(4) -0.1907(3) 0.3592(3) 0.0331(9) Uani 1 1 d . . .
H35 H 0.2532 -0.1769 0.3846 0.040 Uiso 1 1 calc R . .
C36 C 0.4215(4) -0.1197(3) 0.3635(2) 0.0276(8) Uani 1 1 d . . .
C37 C 0.5285(4) -0.1406(3) 0.3265(3) 0.0353(10) Uani 1 1 d . . .
H37 H 0.5941 -0.0933 0.3293 0.042 Uiso 1 1 calc R . .
C38 C 0.5369(4) -0.2326(3) 0.2851(3) 0.0350(10) Uani 1 1 d . . .
H38 H 0.6088 -0.2466 0.2604 0.042 Uiso 1 1 calc R . .
C39 C 0.5056(4) 0.0487(3) 0.4257(2) 0.0330(9) Uani 1 1 d . . .
H39 H 0.5895 0.0458 0.4124 0.040 Uiso 1 1 calc R . .
C40 C 0.3043(5) 0.0071(3) 0.4386(3) 0.0409(11) Uani 1 1 d . . .
H40 H 0.2242 -0.0281 0.4359 0.049 Uiso 1 1 calc R . .
C41 C 0.3379(5) 0.1000(3) 0.4743(3) 0.0401(11) Uani 1 1 d . . .
H41 H 0.2839 0.1400 0.5007 0.048 Uiso 1 1 calc R . .
C42 C 0.2132(5) -0.8690(3) -0.0268(3) 0.0517(14) Uani 1 1 d . . .
H42A H 0.1410 -0.8720 -0.0001 0.078 Uiso 1 1 calc R . .
H42B H 0.2311 -0.9309 -0.0525 0.078 Uiso 1 1 calc R . .
H42C H 0.1897 -0.8402 -0.0626 0.078 Uiso 1 1 calc R . .
C43 C 0.3355(5) -0.8124(3) 0.0280(3) 0.0403(11) Uani 1 1 d . . .
C44 C 0.4468(5) -0.8522(3) 0.0391(3) 0.0432(12) Uani 1 1 d . . .
H44 H 0.4458 -0.9145 0.0101 0.052 Uiso 1 1 calc R . .
C45 C 0.5618(5) -0.8056(3) 0.0909(3) 0.0371(10) Uani 1 1 d . . .
C46 C 0.6753(5) -0.8572(3) 0.1016(3) 0.0473(13) Uani 1 1 d . . .
H46A H 0.7572 -0.8210 0.1027 0.071 Uiso 1 1 calc R . .
H46B H 0.6638 -0.9160 0.0608 0.071 Uiso 1 1 calc R . .
H46C H 0.6776 -0.8676 0.1480 0.071 Uiso 1 1 calc R . .
N1 N 0.4457(3) 1.0390(2) 0.81395(19) 0.0301(8) Uani 1 1 d . . .
N2 N 0.7082(4) 1.0513(2) 0.8838(2) 0.0327(8) Uani 1 1 d . . .
N3 N 0.6448(3) 0.5553(2) 0.57753(19) 0.0271(7) Uani 1 1 d . . .
N4 N 0.6318(4) 0.4022(2) 0.5301(2) 0.0366(9) Uani 1 1 d . . .
N5 N 0.3316(3) -0.5420(2) 0.1287(2) 0.0319(8) Uani 1 1 d . . .
N6 N 0.5801(3) -0.5328(2) 0.21367(19) 0.0287(7) Uani 1 1 d . . .
N7 N 0.4114(3) -0.0254(2) 0.4067(2) 0.0294(7) Uani 1 1 d . . .
N8 N 0.4645(4) 0.1261(2) 0.4656(2) 0.0328(8) Uani 1 1 d . . .
O1 O 0.4569(3) 1.2256(2) 0.88611(17) 0.0382(7) Uani 1 1 d . . .
O2 O 0.7077(3) 1.2353(2) 0.96292(18) 0.0399(8) Uani 1 1 d . . .
O3 O 0.3236(3) -0.7273(2) 0.06153(18) 0.0412(8) Uani 1 1 d . . .
O4 O 0.5785(3) -0.7191(2) 0.13149(17) 0.0366(7) Uani 1 1 d . . .
Cu1 Cu 0.57819(5) 1.13789(3) 0.88822(3) 0.03157(13) Uani 1 1 d . . .
Cu2 Cu 0.45584(5) -0.63054(3) 0.13254(3) 0.03103(13) Uani 1 1 d . . .
Ag1 Ag 0.56011(4) 0.26200(2) 0.50162(2) 0.04047(11) Uani 1 1 d . . .
Sb1 Sb 0.96212(3) 0.22899(2) 0.496565(17) 0.03341(9) Uani 1 1 d . . .
F1 F 0.9025(3) 0.2932(2) 0.58529(16) 0.0517(7) Uani 1 1 d . . .
F2 F 1.0215(3) 0.1654(2) 0.40718(16) 0.0526(7) Uani 1 1 d . . .
F3 F 1.1214(4) 0.2244(3) 0.5518(2) 0.0955(15) Uani 1 1 d . . .
F4 F 1.0361(4) 0.3427(2) 0.4952(2) 0.0803(12) Uani 1 1 d . . .
F5 F 0.8054(3) 0.2392(3) 0.4411(2) 0.0803(12) Uani 1 1 d . . .
F6 F 0.8855(5) 0.1180(2) 0.4988(3) 0.1082(18) Uani 1 1 d . . .
C47 C -0.0201(7) 0.7338(5) 0.2038(5) 0.082(2) Uani 1 1 d . . .
H47 H -0.0329 0.6710 0.1735 0.099 Uiso 1 1 calc R . .
C48 C 0.0485(7) 0.7990(6) 0.1831(4) 0.075(2) Uani 1 1 d . . .
H48 H 0.0807 0.7806 0.1380 0.090 Uiso 1 1 calc R . .
C49 C 0.0692(7) 0.8889(5) 0.2277(5) 0.077(2) Uani 1 1 d . . .
H49 H 0.1180 0.9319 0.2136 0.093 Uiso 1 1 calc R . .
C50 C 0.0217(7) 0.9186(6) 0.2920(5) 0.080(2) Uani 1 1 d . . .
H50 H 0.0369 0.9816 0.3217 0.096 Uiso 1 1 calc R . .
C51 C -0.0483(8) 0.8572(7) 0.3136(5) 0.088(2) Uani 1 1 d . . .
H51 H -0.0823 0.8784 0.3580 0.105 Uiso 1 1 calc R . .
C52 C -0.0704(6) 0.7631(7) 0.2709(5) 0.086(3) Uani 1 1 d . . .
H52 H -0.1174 0.7206 0.2863 0.103 Uiso 1 1 calc R . .
C53 C -0.0726(5) 0.5431(4) 0.6823(3) 0.0558(14) Uani 1 1 d . . .
H53 H -0.0991 0.4806 0.6527 0.067 Uiso 1 1 calc R . .
C54 C 0.0031(5) 0.5993(5) 0.6568(4) 0.0609(17) Uani 1 1 d . . .
H54 H 0.0273 0.5755 0.6097 0.073 Uiso 1 1 calc R . .
C55 C 0.0433(6) 0.6917(5) 0.7014(5) 0.069(2) Uani 1 1 d . . .
H55 H 0.0958 0.7299 0.6846 0.083 Uiso 1 1 calc R . .
C56 C 0.0068(6) 0.7271(5) 0.7699(4) 0.071(2) Uani 1 1 d . . .
H56 H 0.0343 0.7895 0.7997 0.085 Uiso 1 1 calc R . .
C57 C -0.0715(6) 0.6705(5) 0.7955(4) 0.0662(17) Uani 1 1 d . . .
H57 H -0.0978 0.6946 0.8420 0.079 Uiso 1 1 calc R . .
C58 C -0.1095(6) 0.5787(4) 0.7512(4) 0.0612(15) Uani 1 1 d . . .
H58 H -0.1609 0.5401 0.7682 0.073 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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
_geom_angle_publ_flag
N1 C1 C2 111.7(4) . . ?
N1 C1 H1 124.1 . . ?
C2 C1 H1 124.1 . . ?
C3 C2 C1 106.4(4) . . ?
C3 C2 H2 126.8 . . ?
C1 C2 H2 126.8 . . ?
C2 C3 C4 107.3(4) . . ?
C2 C3 H3 126.4 . . ?
C4 C3 H3 126.4 . . ?
C5 C4 N1 124.3(4) . . ?
C5 C4 C3 127.4(4) . . ?
N1 C4 C3 108.3(4) . . ?
C4 C5 C6 125.4(4) . . ?
C4 C5 C10 119.2(4) . . ?
C6 C5 C10 115.4(4) . . ?
N2 C6 C5 123.8(4) . . ?
N2 C6 C7 108.6(3) . . ?
C5 C6 C7 127.5(4) . . ?
C8 C7 C6 107.2(4) . . ?
C8 C7 H7 126.4 . . ?
C6 C7 H7 126.4 . . ?
C7 C8 C9 106.8(4) . . ?
C7 C8 H8 126.6 . . ?
C9 C8 H8 126.6 . . ?
N2 C9 C8 111.4(4) . . ?
N2 C9 H9 124.3 . . ?
C8 C9 H9 124.3 . . ?
C15 C10 C11 118.2(4) . . ?
C15 C10 C5 121.1(4) . . ?
C11 C10 C5 120.7(4) . . ?
C12 C11 C10 121.0(4) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C13 C12 C11 119.5(4) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C13 C14 120.2(4) . . ?
C12 C13 N3 120.1(4) . . ?
C14 C13 N3 119.7(4) . . ?
C15 C14 C13 119.7(4) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C10 C15 C14 121.4(4) . . ?
C10 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
N4 C16 N3 111.0(4) . . ?
N4 C16 H16 124.5 . . ?
N3 C16 H16 124.5 . . ?
C18 C17 N3 106.5(4) . . ?
C18 C17 H17 126.8 . . ?
N3 C17 H17 126.8 . . ?
C17 C18 N4 109.9(4) . . ?
C17 C18 H18 125.1 . . ?
N4 C18 H18 125.1 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O1 C20 C21 124.9(4) . . ?
O1 C20 C19 115.1(4) . . ?
C21 C20 C19 120.1(4) . . ?
C22 C21 C20 124.3(4) . . ?
C22 C21 H21 117.9 . . ?
C20 C21 H21 117.9 . . ?
O2 C22 C21 124.7(4) . . ?
O2 C22 C23 115.2(5) . . ?
C21 C22 C23 120.1(4) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N5 C24 C25 111.7(4) . . ?
N5 C24 H24 124.1 . . ?
C25 C24 H24 124.1 . . ?
C26 C25 C24 106.2(4) . . ?
C26 C25 H25 126.9 . . ?
C24 C25 H25 126.9 . . ?
C25 C26 C27 107.7(4) . . ?
C25 C26 H26 126.2 . . ?
C27 C26 H26 126.2 . . ?
N5 C27 C28 124.0(4) . . ?
N5 C27 C26 108.2(4) . . ?
C28 C27 C26 127.7(4) . . ?
C29 C28 C27 125.2(4) . . ?
C29 C28 C33 118.4(3) . . ?
C27 C28 C33 116.4(4) . . ?
C28 C29 N6 124.4(3) . . ?
C28 C29 C30 127.4(4) . . ?
N6 C29 C30 108.3(4) . . ?
C31 C30 C29 107.5(4) . . ?
C31 C30 H30 126.3 . . ?
C29 C30 H30 126.3 . . ?
C30 C31 C32 106.8(4) . . ?
C30 C31 H31 126.6 . . ?
C32 C31 H31 126.6 . . ?
N6 C32 C31 110.9(4) . . ?
N6 C32 H32 124.5 . . ?
C31 C32 H32 124.5 . . ?
C34 C33 C38 118.4(4) . . ?
C34 C33 C28 120.6(4) . . ?
C38 C33 C28 121.0(4) . . ?
C35 C34 C33 121.1(4) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C36 119.8(4) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C37 119.9(4) . . ?
C35 C36 N7 119.7(4) . . ?
C37 C36 N7 120.3(4) . . ?
C38 C37 C36 119.5(4) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C37 C38 C33 121.2(4) . . ?
C37 C38 H38 119.4 . . ?
C33 C38 H38 119.4 . . ?
N8 C39 N7 111.7(4) . . ?
N8 C39 H39 124.2 . . ?
N7 C39 H39 124.2 . . ?
C41 C40 N7 106.8(4) . . ?
C41 C40 H40 126.6 . . ?
N7 C40 H40 126.6 . . ?
C40 C41 N8 109.3(4) . . ?
C40 C41 H41 125.4 . . ?
N8 C41 H41 125.4 . . ?
C43 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C43 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O3 C43 C44 124.9(4) . . ?
O3 C43 C42 113.9(5) . . ?
C44 C43 C42 121.1(4) . . ?
C43 C44 C45 124.6(4) . . ?
C43 C44 H44 117.7 . . ?
C45 C44 H44 117.7 . . ?
O4 C45 C44 124.0(4) . . ?
O4 C45 C46 115.7(4) . . ?
C44 C45 C46 120.2(4) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C1 N1 C4 106.3(3) . . ?
C1 N1 Cu1 126.7(3) . . ?
C4 N1 Cu1 126.5(3) . . ?
C9 N2 C6 106.0(4) . . ?
C9 N2 Cu1 127.1(3) . . ?
C6 N2 Cu1 126.8(3) . . ?
C16 N3 C17 106.6(3) . . ?
C16 N3 C13 125.6(4) . . ?
C17 N3 C13 127.7(3) . . ?
C16 N4 C18 106.0(4) . . ?
C16 N4 Ag1 126.4(3) . . ?
C18 N4 Ag1 126.6(3) . . ?
C24 N5 C27 106.2(4) . . ?
C24 N5 Cu2 126.3(3) . . ?
C27 N5 Cu2 127.5(3) . . ?
C32 N6 C29 106.5(3) . . ?
C32 N6 Cu2 125.9(3) . . ?
C29 N6 Cu2 126.8(3) . . ?
C39 N7 C40 106.4(4) . . ?
C39 N7 C36 126.7(4) . . ?
C40 N7 C36 126.8(4) . . ?
C39 N8 C41 105.7(4) . . ?
C39 N8 Ag1 128.6(3) . . ?
C41 N8 Ag1 125.5(3) . . ?
C20 O1 Cu1 127.3(3) . . ?
C22 O2 Cu1 127.2(3) . . ?
C43 O3 Cu2 127.6(3) . . ?
C45 O4 Cu2 127.4(3) . . ?
O1 Cu1 O2 91.24(13) . . ?
O1 Cu1 N2 175.16(15) . . ?
O2 Cu1 N2 88.61(14) . . ?
O1 Cu1 N1 88.68(14) . . ?
O2 Cu1 N1 179.06(15) . . ?
N2 Cu1 N1 91.56(14) . . ?
O3 Cu2 O4 91.10(13) . . ?
O3 Cu2 N5 87.68(14) . . ?
O4 Cu2 N5 177.39(14) . . ?
O3 Cu2 N6 173.72(15) . . ?
O4 Cu2 N6 90.09(13) . . ?
N5 Cu2 N6 91.37(14) . . ?
N8 Ag1 N4 171.89(14) . . ?
F6 Sb1 F3 92.4(2) . . ?
F6 Sb1 F4 178.58(18) . . ?
F3 Sb1 F4 88.5(2) . . ?
F6 Sb1 F5 90.4(2) . . ?
F3 Sb1 F5 177.2(2) . . ?
F4 Sb1 F5 88.74(19) . . ?
F6 Sb1 F1 90.01(15) . . ?
F3 Sb1 F1 89.91(15) . . ?
F4 Sb1 F1 88.89(14) . . ?
F5 Sb1 F1 89.95(15) . . ?
F6 Sb1 F2 90.37(15) . . ?
F3 Sb1 F2 90.43(15) . . ?
F4 Sb1 F2 90.73(15) . . ?
F5 Sb1 F2 89.70(15) . . ?
F1 Sb1 F2 179.49(13) . . ?
C48 C47 C52 119.1(7) . . ?
C48 C47 H47 120.5 . . ?
C52 C47 H47 120.5 . . ?
C49 C48 C47 120.1(7) . . ?
C49 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C50 C49 C48 121.9(7) . . ?
C50 C49 H49 119.1 . . ?
C48 C49 H49 119.1 . . ?
C49 C50 C51 119.9(8) . . ?
C49 C50 H50 120.1 . . ?
C51 C50 H50 120.1 . . ?
C50 C51 C52 121.0(8) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 H51 119.5 . . ?
C51 C52 C47 118.0(7) . . ?
C51 C52 H52 121.0 . . ?
C47 C52 H52 121.0 . . ?
C54 C53 C58 120.1(6) . . ?
C54 C53 H53 120.0 . . ?
C58 C53 H53 120.0 . . ?
C53 C54 C55 119.5(6) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
C56 C55 C54 120.5(6) . . ?
C56 C55 H55 119.8 . . ?
C54 C55 H55 119.8 . . ?
C55 C56 C57 120.1(6) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 H56 119.9 . . ?
C58 C57 C56 119.0(6) . . ?
C58 C57 H57 120.5 . . ?
C56 C57 H57 120.5 . . ?
C57 C58 C53 120.8(6) . . ?
C57 C58 H58 119.6 . . ?
C53 C58 H58 119.6 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.336(5) . ?
C1 C2 1.404(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.366(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.425(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.384(6) . ?
C4 N1 1.395(5) . ?
C5 C6 1.405(5) . ?
C5 C10 1.494(6) . ?
C6 N2 1.396(5) . ?
C6 C7 1.408(6) . ?
C7 C8 1.366(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.392(7) . ?
C8 H8 0.9300 . ?
C9 N2 1.339(5) . ?
C9 H9 0.9300 . ?
C10 C15 1.379(6) . ?
C10 C11 1.400(6) . ?
C11 C12 1.386(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.384(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.386(5) . ?
C13 N3 1.422(5) . ?
C14 C15 1.384(6) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 N4 1.321(5) . ?
C16 N3 1.358(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.356(6) . ?
C17 N3 1.371(5) . ?
C17 H17 0.9300 . ?
C18 N4 1.362(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.505(7) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 O1 1.275(5) . ?
C20 C21 1.389(7) . ?
C21 C22 1.387(7) . ?
C21 H21 0.9300 . ?
C22 O2 1.273(5) . ?
C22 C23 1.500(6) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 N5 1.340(5) . ?
C24 C25 1.396(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.370(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.412(6) . ?
C26 H26 0.9300 . ?
C27 N5 1.396(5) . ?
C27 C28 1.398(5) . ?
C28 C29 1.393(6) . ?
C28 C33 1.491(6) . ?
C29 N6 1.397(5) . ?
C29 C30 1.418(5) . ?
C30 C31 1.362(6) . ?
C30 H30 0.9300 . ?
C31 C32 1.409(6) . ?
C31 H31 0.9300 . ?
C32 N6 1.341(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.385(6) . ?
C33 C38 1.388(6) . ?
C34 C35 1.383(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.386(6) . ?
C35 H35 0.9300 . ?
C36 C37 1.387(6) . ?
C36 N7 1.428(5) . ?
C37 C38 1.386(6) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 N8 1.318(5) . ?
C39 N7 1.342(5) . ?
C39 H39 0.9300 . ?
C40 C41 1.349(6) . ?
C40 N7 1.377(6) . ?
C40 H40 0.9300 . ?
C41 N8 1.374(6) . ?
C41 H41 0.9300 . ?
C42 C43 1.511(6) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 O3 1.275(5) . ?
C43 C44 1.371(7) . ?
C44 C45 1.400(6) . ?
C44 H44 0.9300 . ?
C45 O4 1.276(5) . ?
C45 C46 1.501(7) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
N1 Cu1 1.963(3) . ?
N2 Cu1 1.961(4) . ?
N4 Ag1 2.079(3) . ?
N5 Cu2 1.964(4) . ?
N6 Cu2 1.967(3) . ?
N8 Ag1 2.074(3) . ?
O1 Cu1 1.927(3) . ?
O2 Cu1 1.940(3) . ?
O3 Cu2 1.924(3) . ?
O4 Cu2 1.937(3) . ?
Sb1 F6 1.838(3) . ?
Sb1 F3 1.855(3) . ?
Sb1 F4 1.860(3) . ?
Sb1 F5 1.864(3) . ?
Sb1 F1 1.868(3) . ?
Sb1 F2 1.875(3) . ?
C47 C48 1.376(10) . ?
C47 C52 1.397(11) . ?
C47 H47 0.9300 . ?
C48 C49 1.338(10) . ?
C48 H48 0.9300 . ?
C49 C50 1.336(10) . ?
C49 H49 0.9300 . ?
C50 C51 1.349(11) . ?
C50 H50 0.9300 . ?
C51 C52 1.382(11) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 C54 1.367(8) . ?
C53 C58 1.369(8) . ?
C53 H53 0.9300 . ?
C54 C55 1.380(9) . ?
C54 H54 0.9300 . ?
C55 C56 1.359(9) . ?
C55 H55 0.9300 . ?
C56 C57 1.388(10) . ?
C56 H56 0.9300 . ?
C57 C58 1.369(8) . ?
C57 H57 0.9300 . ?
C58 H58 0.9300 . ?
