#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/58/4305808.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_4305808
loop_
_publ_author_name
'Malgorzata Kondracka'
'Ulli Englert'
_publ_contact_author_address
;
      Institut fuer Anorganische Chemie
      RWTH Aachen
      Landoltweg 1
      52074 Aachen
      Germany
;
_publ_contact_author_email       ullrich.englert@ac.rwth-aachen.de
_publ_contact_author_fax         0049-241-8092288
_publ_contact_author_name        'Ulli Englert'
_publ_contact_author_phone       0049-241-8090074
_publ_section_title
;
Bimetallic Coordination Polymers via Combination of Substitution-Inert
Building Blocks and Labile Connectors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10246
_journal_page_last               10257
_journal_paper_doi               10.1021/ic800748f
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety
'C37 H40 Ag2 B Cr2 F4 N6 O13, C7 H8, 3(C H4 O), B F4'
_chemical_formula_sum            'C47 H60 Ag2 B2 Cr2 F8 N6 O16'
_chemical_formula_weight         1458.37
_chemical_name_common            'compound 5a'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_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                110.429(2)
_cell_angle_beta                 104.050(2)
_cell_angle_gamma                105.843(2)
_cell_formula_units_Z            1
_cell_length_a                   11.1960(9)
_cell_length_b                   11.9875(9)
_cell_length_c                   13.5929(11)
_cell_measurement_reflns_used    5995
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      22.84
_cell_measurement_theta_min      2.21
_cell_volume                     1524.6(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    PLATON
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0680
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            27479
_diffrn_reflns_theta_full        26.82
_diffrn_reflns_theta_max         26.82
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Platon
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.970
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.101
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.37(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     768
_refine_ls_number_reflns         12668
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0544
_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)+(0.0580P)²+1.0336P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1216
_reflns_number_gt                10552
_reflns_number_total             12668
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800748f_si_001_08.cif
_cod_data_source_block           comp5a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     'P 1   '
_cod_original_sg_symbol_H-M      'P 1 '
_cod_database_code               4305808
loop_
_symmetry_equiv_pos_as_xyz
'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
Ag1 Ag 0.14884(4) 1.07440(4) 0.26547(3) 0.03397(14) Uani 1 1 d . . .
Ag2 Ag 0.30779(4) 0.89631(4) 0.26346(4) 0.03911(15) Uani 1 1 d . . .
Cr1 Cr 0.77343(9) 1.75617(8) 0.59611(7) 0.0214(2) Uani 1 1 d . . .
Cr2 Cr 0.62844(9) 1.26617(9) -0.05698(7) 0.0234(2) Uani 1 1 d . . .
O1 O -0.1879(4) 0.9114(4) -0.2710(3) 0.0265(9) Uani 1 1 d . . .
O2 O -0.1767(4) 0.6731(4) -0.3086(3) 0.0278(9) Uani 1 1 d . . .
O3 O -0.2739(4) 0.8410(4) 0.5016(3) 0.0270(9) Uani 1 1 d . . .
O4 O -0.0412(4) 0.8218(4) 0.6071(4) 0.0295(10) Uani 1 1 d . . .
O5 O 0.5896(4) 1.6861(4) 0.5852(3) 0.0240(9) Uani 1 1 d . . .
O6 O 0.7298(4) 1.6012(4) 0.4587(3) 0.0296(9) Uani 1 1 d . . .
O7 O 0.4499(4) 1.2004(4) -0.0559(4) 0.0321(10) Uani 1 1 d . . .
O8 O 0.6943(4) 1.2051(4) 0.0512(3) 0.0293(9) Uani 1 1 d . . .
O9 O -0.1949(4) 0.3290(4) -0.0624(4) 0.0296(9) Uani 1 1 d . . .
O10 O -0.3309(4) 0.4323(4) 0.0647(3) 0.0274(9) Uani 1 1 d . . .
O11 O 0.5605(5) 1.3241(4) 0.8326(3) 0.0322(10) Uani 1 1 d . . .
O12 O 0.5854(4) 1.0981(4) 0.8211(3) 0.0289(9) Uani 1 1 d . . .
O13 O 0.4082(7) 0.7446(7) 0.2596(7) 0.079(2) Uani 1 1 d . . .
H13 H 0.4052 0.7036 0.1942 0.119 Uiso 1 1 d R . .
N1 N 0.0266(6) 0.9443(7) 0.0847(5) 0.0405(15) Uani 1 1 d . . .
N2 N 0.0526(7) 1.0249(7) 0.3821(6) 0.0463(17) Uani 1 1 d . . .
N3 N 0.3433(6) 1.2389(6) 0.3525(5) 0.0392(15) Uani 1 1 d . . .
N4 N 0.3825(8) 0.9617(8) 0.1485(7) 0.061(2) Uani 1 1 d . . .
N5 N 0.0978(6) 0.7539(6) 0.1991(6) 0.0421(16) Uani 1 1 d . . .
N6 N 0.4014(7) 1.0283(6) 0.4482(5) 0.0459(17) Uani 1 1 d . . .
C1 C -0.1155(7) 1.0701(6) -0.0827(5) 0.0337(15) Uani 1 1 d . . .
H1A H -0.1377 1.1199 -0.1229 0.051 Uiso 1 1 calc R . .
H1B H -0.0222 1.1165 -0.0292 0.051 Uiso 1 1 calc R . .
H1C H -0.1748 1.0591 -0.0412 0.051 Uiso 1 1 calc R . .
C2 C -0.1336(6) 0.9408(6) -0.1657(5) 0.0264(13) Uani 1 1 d . . .
C3 C -0.0944(6) 0.8534(6) -0.1302(5) 0.0258(13) Uani 1 1 d . . .
C4 C -0.1223(6) 0.7250(6) -0.2007(5) 0.0262(13) Uani 1 1 d . . .
C5 C -0.0914(7) 0.6376(7) -0.1519(6) 0.0358(15) Uani 1 1 d . . .
H5A H -0.1648 0.6013 -0.1304 0.054 Uiso 1 1 calc R . .
H5B H -0.0081 0.6870 -0.0848 0.054 Uiso 1 1 calc R . .
H5C H -0.0811 0.5671 -0.2084 0.054 Uiso 1 1 calc R . .
C6 C -0.0290(6) 0.9031(7) -0.0087(6) 0.0292(15) Uani 1 1 d . . .
C7 C 0.1506(7) 0.9083(9) 0.5734(7) 0.054(2) Uani 1 1 d . . .
H7A H 0.1871 0.8737 0.6238 0.082 Uiso 1 1 calc R . .
H7B H 0.1990 1.0025 0.6088 0.082 Uiso 1 1 calc R . .
H7C H 0.1610 0.8695 0.5012 0.082 Uiso 1 1 calc R . .
C8 C 0.0065(6) 0.8766(6) 0.5531(5) 0.0293(14) Uani 1 1 d . . .
C9 C -0.0688(6) 0.9115(6) 0.4794(5) 0.0232(13) Uani 1 1 d . . .
C10 C -0.2044(6) 0.8964(6) 0.4585(5) 0.0245(12) Uani 1 1 d . . .
C11 C -0.2721(8) 0.9444(7) 0.3827(6) 0.0390(16) Uani 1 1 d . . .
H11A H -0.3646 0.9254 0.3784 0.059 Uiso 1 1 calc R . .
H11B H -0.2721 0.9011 0.3068 0.059 Uiso 1 1 calc R . .
H11C H -0.2239 1.0381 0.4133 0.059 Uiso 1 1 calc R . .
C12 C -0.0032(7) 0.9753(7) 0.4246(6) 0.0312(16) Uani 1 1 d . . .
C13 C 0.3825(6) 1.5452(6) 0.5617(6) 0.0321(15) Uani 1 1 d . . .
H13A H 0.4084 1.5703 0.6430 0.048 Uiso 1 1 calc R . .
H13B H 0.3251 1.4527 0.5189 0.048 Uiso 1 1 calc R . .
H13C H 0.3336 1.5954 0.5415 0.048 Uiso 1 1 calc R . .
C14 C 0.5050(6) 1.5713(6) 0.5338(5) 0.0237(13) Uani 1 1 d . . .
C15 C 0.5230(6) 1.4711(6) 0.4511(5) 0.0237(13) Uani 1 1 d . . .
C16 C 0.6307(6) 1.4938(6) 0.4128(5) 0.0261(13) Uani 1 1 d . . .
C17 C 0.6276(8) 1.3886(7) 0.3095(6) 0.0441(18) Uani 1 1 d . . .
H17A H 0.5583 1.3755 0.2418 0.066 Uiso 1 1 calc R . .
H17B H 0.6076 1.3078 0.3171 0.066 Uiso 1 1 calc R . .
H17C H 0.7150 1.4140 0.3026 0.066 Uiso 1 1 calc R . .
C18 C 0.4219(7) 1.3427(7) 0.3947(6) 0.0313(16) Uani 1 1 d . . .
C19 C 0.2602(7) 1.0890(8) -0.0319(8) 0.051(2) Uani 1 1 d . . .
H19A H 0.2468 1.1492 0.0307 0.077 Uiso 1 1 calc R . .
H19B H 0.2248 1.0015 -0.0379 0.077 Uiso 1 1 calc R . .
H19C H 0.2132 1.0891 -0.1028 0.077 Uiso 1 1 calc R . .
C20 C 0.4066(7) 1.1303(6) -0.0101(6) 0.0325(15) Uani 1 1 d . . .
C21 C 0.4899(7) 1.0970(6) 0.0588(5) 0.0320(15) Uani 1 1 d . . .
C22 C 0.6297(6) 1.1350(6) 0.0867(5) 0.0283(13) Uani 1 1 d . . .
C23 C 0.7089(8) 1.0927(7) 0.1628(6) 0.0394(16) Uani 1 1 d . . .
H23A H 0.6968 1.0031 0.1190 0.059 Uiso 1 1 calc R . .
H23B H 0.6771 1.0980 0.2248 0.059 Uiso 1 1 calc R . .
H23C H 0.8040 1.1493 0.1941 0.059 Uiso 1 1 calc R . .
C24 C 0.4292(8) 1.0200(8) 0.1077(6) 0.0407(19) Uani 1 1 d . . .
C25 C 0.0291(7) 0.4538(7) -0.0199(6) 0.0348(16) Uani 1 1 d . . .
H25A H 0.0743 0.4086 0.0131 0.052 Uiso 1 1 calc R . .
H25B H 0.0874 0.5460 0.0157 0.052 Uiso 1 1 calc R . .
H25C H 0.0096 0.4169 -0.1015 0.052 Uiso 1 1 calc R . .
C26 C -0.0991(6) 0.4386(6) -0.0001(5) 0.0245(12) Uani 1 1 d . . .
C27 C -0.1103(6) 0.5413(6) 0.0837(5) 0.0245(13) Uani 1 1 d . . .
C28 C -0.2244(6) 0.5359(6) 0.1110(5) 0.0265(13) Uani 1 1 d . . .
C29 C -0.2262(7) 0.6506(7) 0.2008(5) 0.0380(16) Uani 1 1 d . . .
H29A H -0.3186 0.6353 0.1957 0.057 Uiso 1 1 calc R . .
H29B H -0.1896 0.7277 0.1901 0.057 Uiso 1 1 calc R . .
H29C H -0.1718 0.6641 0.2755 0.057 Uiso 1 1 calc R . .
C30 C 0.0060(7) 0.6606(7) 0.1481(6) 0.0314(15) Uani 1 1 d . . .
C31 C 0.4743(9) 1.3384(7) 0.6643(6) 0.049(2) Uani 1 1 d . . .
H31A H 0.4553 1.4078 0.7135 0.073 Uiso 1 1 calc R . .
H31B H 0.3938 1.2794 0.5961 0.073 Uiso 1 1 calc R . .
H31C H 0.5470 1.3760 0.6427 0.073 Uiso 1 1 calc R . .
C32 C 0.5148(6) 1.2658(6) 0.7257(5) 0.0281(13) Uani 1 1 d . . .
C33 C 0.4985(6) 1.1351(6) 0.6651(5) 0.0289(14) Uani 1 1 d . . .
C34 C 0.5332(6) 1.0576(6) 0.7159(5) 0.0264(13) Uani 1 1 d . . .
C35 C 0.5087(6) 0.9195(6) 0.6423(5) 0.0316(14) Uani 1 1 d . . .
H35A H 0.5461 0.8825 0.6899 0.047 Uiso 1 1 calc R . .
H35B H 0.5520 0.9178 0.5875 0.047 Uiso 1 1 calc R . .
H35C H 0.4122 0.8685 0.6019 0.047 Uiso 1 1 calc R . .
C36 C 0.4455(7) 1.0786(6) 0.5458(6) 0.0321(16) Uani 1 1 d . . .
C37 C 0.3745(16) 0.6693(14) 0.3012(14) 0.117(5) Uani 1 1 d . . .
H37A H 0.4535 0.6592 0.3408 0.176 Uiso 1 1 calc R . .
H37B H 0.3090 0.5848 0.2406 0.176 Uiso 1 1 calc R . .
H37C H 0.3343 0.7046 0.3548 0.176 Uiso 1 1 calc R . .
B1 B 0.1202(11) 1.3426(10) 0.2207(7) 0.051(2) Uani 1 1 d U . .
F1 F 0.0585(9) 1.2463(10) 0.2440(9) 0.137(3) Uani 1 1 d U . .
F2 F 0.1766(6) 1.2984(6) 0.1453(4) 0.0777(16) Uani 1 1 d U . .
F3 F 0.2145(8) 1.4410(8) 0.3181(5) 0.138(3) Uani 1 1 d U . .
F4 F 0.0264(5) 1.3836(5) 0.1761(4) 0.0682(14) Uani 1 1 d U . .
B2 B -0.4257(10) 0.7296(10) -0.0978(8) 0.048(2) Uani 1 1 d U . .
F5 F -0.4192(6) 0.8365(5) -0.1139(5) 0.0666(14) Uani 1 1 d U . .
F6 F -0.3575(9) 0.7636(6) 0.0124(5) 0.122(3) Uani 1 1 d U . .
F7 F -0.3749(6) 0.6598(6) -0.1673(6) 0.094(2) Uani 1 1 d U . .
F8 F -0.5568(6) 0.6472(7) -0.1307(6) 0.100(2) Uani 1 1 d U . .
O14 O 0.4131(17) 0.6108(11) 0.0676(13) 0.218(8) Uani 1 1 d U . .
H14 H 0.4205 0.6204 0.0129 0.327 Uiso 1 1 d R . .
C38 C 0.3740(11) 0.4807(11) 0.0139(11) 0.086(3) Uani 1 1 d U . .
H38A H 0.4527 0.4599 0.0134 0.129 Uiso 1 1 calc R . .
H38B H 0.3124 0.4476 -0.0642 0.129 Uiso 1 1 calc R . .
H38C H 0.3287 0.4407 0.0536 0.129 Uiso 1 1 calc R . .
C39 C 0.0156(13) 0.5418(15) 0.4386(10) 0.115(5) Uani 1 1 d U . .
H39A H 0.1134 0.5862 0.4691 0.173 Uiso 1 1 calc R . .
H39B H -0.0087 0.4507 0.4229 0.173 Uiso 1 1 calc R . .
H39C H -0.0198 0.5830 0.4939 0.173 Uiso 1 1 calc R . .
O15 O -0.0333(17) 0.5489(18) 0.3481(12) 0.199(8) Uani 1 1 d U . .
H15 H -0.0399 0.4844 0.2928 0.298 Uiso 1 1 calc R . .
C40 C 0.2194(9) 0.7468(9) 0.7859(9) 0.068(2) Uani 1 1 d U . .
H40A H 0.2422 0.7453 0.8596 0.101 Uiso 1 1 calc R . .
H40B H 0.2095 0.6648 0.7276 0.101 Uiso 1 1 calc R . .
H40C H 0.1349 0.7587 0.7671 0.101 Uiso 1 1 calc R . .
O16 O 0.3224(5) 0.8502(6) 0.7905(6) 0.0637(16) Uani 1 1 d U . .
H16 H 0.3969 0.8489 0.8197 0.096 Uiso 1 1 calc R . .
C41 C -0.2167(15) 0.3026(14) 0.5740(13) 0.121(5) Uani 1 1 d U . .
H41A H -0.2046 0.3281 0.5148 0.182 Uiso 1 1 calc R . .
H41B H -0.2341 0.3683 0.6290 0.182 Uiso 1 1 calc R . .
H41C H -0.2928 0.2191 0.5396 0.182 Uiso 1 1 calc R . .
C42 C -0.1018(15) 0.2915(13) 0.6284(12) 0.104(4) Uani 1 1 d DU . .
C43 C -0.1012(13) 0.2051(11) 0.6691(9) 0.087(3) Uani 1 1 d DU . .
H43 H -0.1848 0.1503 0.6629 0.104 Uiso 1 1 calc R . .
C44 C 0.0098(12) 0.1896(12) 0.7186(10) 0.093(3) Uani 1 1 d DU . .
H44 H 0.0022 0.1255 0.7452 0.111 Uiso 1 1 calc R . .
C45 C 0.1296(15) 0.2643(13) 0.7297(13) 0.115(4) Uani 1 1 d DU . .
H45 H 0.2084 0.2532 0.7615 0.138 Uiso 1 1 calc R . .
C46 C 0.1337(17) 0.3555(16) 0.6941(14) 0.130(5) Uani 1 1 d DU . .
H46 H 0.2182 0.4190 0.7114 0.156 Uiso 1 1 calc R . .
C47 C 0.0206(14) 0.3602(18) 0.6340(15) 0.136(5) Uani 1 1 d DU . .
H47 H 0.0271 0.4124 0.5951 0.163 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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'
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
N3 Ag1 N1 132.5(2) . . ?
N3 Ag1 N2 114.7(2) . . ?
N1 Ag1 N2 112.7(3) . . ?
N3 Ag1 F1 83.7(3) . . ?
N1 Ag1 F1 88.6(3) . . ?
N2 Ag1 F1 100.1(2) . . ?
N3 Ag1 Ag2 87.10(16) . . ?
N1 Ag1 Ag2 88.95(18) . . ?
N2 Ag1 Ag2 94.45(18) . . ?
F1 Ag1 Ag2 165.00(17) . . ?
N4 Ag2 N6 118.3(3) . . ?
N4 Ag2 N5 119.8(3) . . ?
N6 Ag2 N5 116.6(2) . . ?
N4 Ag2 O13 98.4(3) . . ?
N6 Ag2 O13 99.2(3) . . ?
N5 Ag2 O13 95.6(3) . . ?
N4 Ag2 Ag1 85.8(2) . . ?
N6 Ag2 Ag1 82.31(19) . . ?
N5 Ag2 Ag1 78.73(18) . . ?
O13 Ag2 Ag1 174.13(19) . . ?
O1 Cr1 O5 90.50(17) 1_666 . ?
O1 Cr1 O6 177.90(19) 1_666 . ?
O5 Cr1 O6 88.60(17) . . ?
O1 Cr1 O4 90.53(18) 1_666 1_665 ?
O5 Cr1 O4 178.23(18) . 1_665 ?
O6 Cr1 O4 90.42(18) . 1_665 ?
O1 Cr1 O2 90.50(17) 1_666 1_666 ?
O5 Cr1 O2 89.12(18) . 1_666 ?
O6 Cr1 O2 91.39(17) . 1_666 ?
O4 Cr1 O2 89.44(18) 1_665 1_666 ?
O1 Cr1 O3 89.21(17) 1_666 1_665 ?
O5 Cr1 O3 91.64(17) . 1_665 ?
O6 Cr1 O3 88.92(18) . 1_665 ?
O4 Cr1 O3 89.81(17) 1_665 1_665 ?
O2 Cr1 O3 179.19(19) 1_666 1_665 ?
O10 Cr2 O8 90.87(18) 1_665 . ?
O10 Cr2 O11 90.10(17) 1_665 1_554 ?
O8 Cr2 O11 178.94(19) . 1_554 ?
O10 Cr2 O9 90.90(17) 1_665 1_665 ?
O8 Cr2 O9 90.87(18) . 1_665 ?
O11 Cr2 O9 89.55(19) 1_554 1_665 ?
O10 Cr2 O7 90.37(18) 1_665 . ?
O8 Cr2 O7 89.92(18) . . ?
O11 Cr2 O7 89.6(2) 1_554 . ?
O9 Cr2 O7 178.49(19) 1_665 . ?
O10 Cr2 O12 179.20(19) 1_665 1_554 ?
O8 Cr2 O12 88.92(18) . 1_554 ?
O11 Cr2 O12 90.10(18) 1_554 1_554 ?
O9 Cr2 O12 89.88(18) 1_665 1_554 ?
O7 Cr2 O12 88.85(18) . 1_554 ?
C2 O1 Cr1 129.6(4) . 1_444 ?
C4 O2 Cr1 127.7(4) . 1_444 ?
C10 O3 Cr1 129.3(4) . 1_445 ?
C8 O4 Cr1 128.8(4) . 1_445 ?
C14 O5 Cr1 129.7(4) . . ?
C16 O6 Cr1 128.6(4) . . ?
C20 O7 Cr2 129.1(4) . . ?
C22 O8 Cr2 129.2(4) . . ?
C26 O9 Cr2 128.8(4) . 1_445 ?
C28 O10 Cr2 128.7(4) . 1_445 ?
C32 O11 Cr2 129.7(4) . 1_556 ?
C34 O12 Cr2 129.5(4) . 1_556 ?
C37 O13 Ag2 119.6(10) . . ?
C37 O13 H13 110.5 . . ?
Ag2 O13 H13 110.7 . . ?
C6 N1 Ag1 164.8(7) . . ?
C12 N2 Ag1 166.2(6) . . ?
C18 N3 Ag1 160.9(6) . . ?
C24 N4 Ag2 165.7(7) . . ?
C30 N5 Ag2 160.1(6) . . ?
C36 N6 Ag2 169.0(6) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 121.7(5) . . ?
O1 C2 C1 116.6(6) . . ?
C3 C2 C1 121.7(5) . . ?
C4 C3 C2 125.6(5) . . ?
C4 C3 C6 119.2(6) . . ?
C2 C3 C6 115.0(6) . . ?
O2 C4 C3 124.0(5) . . ?
O2 C4 C5 115.4(5) . . ?
C3 C4 C5 120.6(5) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 C3 176.9(8) . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O4 C8 C9 123.2(6) . . ?
O4 C8 C7 117.0(6) . . ?
C9 C8 C7 119.8(6) . . ?
C8 C9 C10 125.9(6) . . ?
C8 C9 C12 118.1(6) . . ?
C10 C9 C12 115.9(5) . . ?
O3 C10 C9 122.1(5) . . ?
O3 C10 C11 116.9(6) . . ?
C9 C10 C11 121.1(6) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C9 177.7(8) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O5 C14 C15 122.1(5) . . ?
O5 C14 C13 116.3(5) . . ?
C15 C14 C13 121.6(5) . . ?
C16 C15 C18 116.9(5) . . ?
C16 C15 C14 123.6(5) . . ?
C18 C15 C14 119.2(6) . . ?
O6 C16 C15 123.3(5) . . ?
O6 C16 C17 116.6(6) . . ?
C15 C16 C17 120.0(5) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C18 C15 177.6(7) . . ?
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 . . ?
O7 C20 C21 122.7(6) . . ?
O7 C20 C19 115.5(7) . . ?
C21 C20 C19 121.8(7) . . ?
C20 C21 C22 125.6(6) . . ?
C20 C21 C24 117.2(6) . . ?
C22 C21 C24 117.2(6) . . ?
O8 C22 C21 122.8(6) . . ?
O8 C22 C23 116.8(6) . . ?
C21 C22 C23 120.4(6) . . ?
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 . . ?
N4 C24 C21 178.4(9) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O9 C26 C27 122.9(5) . . ?
O9 C26 C25 115.8(6) . . ?
C27 C26 C25 121.3(5) . . ?
C28 C27 C26 125.7(5) . . ?
C28 C27 C30 117.1(6) . . ?
C26 C27 C30 117.1(6) . . ?
O10 C28 C27 122.8(5) . . ?
O10 C28 C29 115.6(5) . . ?
C27 C28 C29 121.6(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N5 C30 C27 179.6(9) . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O11 C32 C33 122.6(6) . . ?
O11 C32 C31 116.9(6) . . ?
C33 C32 C31 120.6(6) . . ?
C36 C33 C34 117.1(6) . . ?
C36 C33 C32 118.1(6) . . ?
C34 C33 C32 124.8(6) . . ?
O12 C34 C33 123.2(6) . . ?
O12 C34 C35 117.0(5) . . ?
C33 C34 C35 119.8(5) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N6 C36 C33 177.6(8) . . ?
O13 C37 H37A 109.5 . . ?
O13 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O13 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
F3 B1 F1 108.3(9) . . ?
F3 B1 F2 110.5(9) . . ?
F1 B1 F2 109.8(8) . . ?
F3 B1 F4 109.6(8) . . ?
F1 B1 F4 108.5(9) . . ?
F2 B1 F4 110.2(7) . . ?
B1 F1 Ag1 124.9(6) . . ?
F6 B2 F5 110.6(8) . . ?
F6 B2 F7 111.1(8) . . ?
F5 B2 F7 108.8(8) . . ?
F6 B2 F8 109.5(8) . . ?
F5 B2 F8 111.4(8) . . ?
F7 B2 F8 105.3(8) . . ?
C38 O14 H14 93.3 . . ?
O14 C38 H38A 109.5 . . ?
O14 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
O14 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O15 C39 H39A 109.5 . . ?
O15 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
O15 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C39 O15 H15 109.5 . . ?
O16 C40 H40A 109.5 . . ?
O16 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O16 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C40 O16 H16 109.5 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C47 113.7(14) . . ?
C43 C42 C41 124.2(14) . . ?
C47 C42 C41 121.8(14) . . ?
C42 C43 C44 125.0(13) . . ?
C42 C43 H43 117.5 . . ?
C44 C43 H43 117.5 . . ?
C45 C44 C43 119.9(13) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 C46 116.9(15) . . ?
C44 C45 H45 121.5 . . ?
C46 C45 H45 121.5 . . ?
C45 C46 C47 121.9(17) . . ?
C45 C46 H46 119.1 . . ?
C47 C46 H46 119.1 . . ?
C46 C47 C42 121.3(16) . . ?
C46 C47 H47 119.3 . . ?
C42 C47 H47 119.3 . . ?
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
Ag1 N3 2.192(6) . ?
Ag1 N1 2.207(6) . ?
Ag1 N2 2.273(7) . ?
Ag1 F1 2.601(6) . ?
Ag1 Ag2 3.1277(8) . ?
Ag2 N4 2.212(7) . ?
Ag2 N6 2.225(6) . ?
Ag2 N5 2.230(6) . ?
Ag2 O13 2.377(7) . ?
Cr1 O1 1.936(4) 1_666 ?
Cr1 O5 1.945(4) . ?
Cr1 O6 1.954(4) . ?
Cr1 O4 1.955(4) 1_665 ?
Cr1 O2 1.958(4) 1_666 ?
Cr1 O3 1.960(4) 1_665 ?
Cr2 O10 1.936(4) 1_665 ?
Cr2 O8 1.939(4) . ?
Cr2 O11 1.943(4) 1_554 ?
Cr2 O9 1.944(4) 1_665 ?
Cr2 O7 1.944(4) . ?
Cr2 O12 1.946(4) 1_554 ?
O1 C2 1.285(7) . ?
O1 Cr1 1.936(4) 1_444 ?
O2 C4 1.278(7) . ?
O2 Cr1 1.958(4) 1_444 ?
O3 C10 1.265(7) . ?
O3 Cr1 1.960(4) 1_445 ?
O4 C8 1.261(7) . ?
O4 Cr1 1.955(4) 1_445 ?
O5 C14 1.255(7) . ?
O6 C16 1.265(7) . ?
O7 C20 1.271(8) . ?
O8 C22 1.257(7) . ?
O9 C26 1.267(7) . ?
O9 Cr2 1.944(4) 1_445 ?
O10 C28 1.282(7) . ?
O10 Cr2 1.936(4) 1_445 ?
O11 C32 1.262(7) . ?
O11 Cr2 1.943(4) 1_556 ?
O12 C34 1.256(7) . ?
O12 Cr2 1.946(4) 1_556 ?
O13 C37 1.245(15) . ?
O13 H13 0.8400 . ?
N1 C6 1.120(9) . ?
N2 C12 1.135(9) . ?
N3 C18 1.145(9) . ?
N4 C24 1.131(10) . ?
N5 C30 1.128(9) . ?
N6 C36 1.153(9) . ?
C1 C2 1.488(8) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.422(9) . ?
C3 C4 1.396(9) . ?
C3 C6 1.451(9) . ?
C4 C5 1.493(9) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C7 C8 1.484(9) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.402(9) . ?
C9 C10 1.423(8) . ?
C9 C12 1.426(9) . ?
C10 C11 1.496(9) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C13 C14 1.491(8) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.430(8) . ?
C15 C16 1.422(9) . ?
C15 C18 1.429(9) . ?
C16 C17 1.510(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C19 C20 1.496(9) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.396(10) . ?
C21 C22 1.415(9) . ?
C21 C24 1.436(10) . ?
C22 C23 1.511(9) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C25 C26 1.499(8) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.416(8) . ?
C27 C28 1.405(8) . ?
C27 C30 1.436(9) . ?
C28 C29 1.496(8) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C31 C32 1.483(9) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.427(9) . ?
C33 C36 1.409(9) . ?
C33 C34 1.416(9) . ?
C34 C35 1.510(8) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
B1 F3 1.345(11) . ?
B1 F1 1.356(13) . ?
B1 F2 1.359(11) . ?
B1 F4 1.375(11) . ?
B2 F6 1.357(11) . ?
B2 F5 1.359(11) . ?
B2 F7 1.372(12) . ?
B2 F8 1.383(11) . ?
O14 C38 1.354(14) . ?
O14 H14 0.8115 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 O15 1.261(14) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
O15 H15 0.8400 . ?
C40 O16 1.414(11) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
O16 H16 0.8400 . ?
C41 C42 1.385(19) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.335(12) . ?
C42 C47 1.361(12) . ?
C43 C44 1.356(12) . ?
C43 H43 0.9500 . ?
C44 C45 1.332(12) . ?
C44 H44 0.9500 . ?
C45 C46 1.336(12) . ?
C45 H45 0.9500 . ?
C46 C47 1.357(12) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
