#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:09:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179096 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/58/4305812.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_4305812
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         'C36 H36 Ag Cr2 N6 O12, C7 H8, B F4'
_chemical_formula_sum            'C43 H44 Ag B Cr2 F4 N6 O12'
_chemical_formula_weight         1135.52
_chemical_name_common            'compound 7a'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.308(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1929(10)
_cell_length_b                   15.2910(15)
_cell_length_c                   31.306(3)
_cell_measurement_reflns_used    9617
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      25.24
_cell_measurement_theta_min      2.31
_cell_volume                     4865.6(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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  0.0602
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            70645
_diffrn_reflns_theta_full        29.56
_diffrn_reflns_theta_max         29.56
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    0.918
_exptl_absorpt_correction_T_max  0.9220
_exptl_absorpt_correction_T_min  0.6937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Platon
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.197
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     699
_refine_ls_number_reflns         13501
_refine_ls_number_restraints     268
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0510
_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)+(0.0800P)²+1.0388P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1360
_reflns_number_gt                10529
_reflns_number_total             13501
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800748f_si_001_12.cif
_cod_data_source_block           comp7a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_H-M      'P 21/c '
_cod_database_code               4305812
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.97896(2) 0.150894(14) 0.249962(7) 0.02434(7) Uani 1 1 d . . .
Cr1 Cr 0.53955(4) -0.11633(3) 0.394186(13) 0.01726(10) Uani 1 1 d . . .
Cr2 Cr 1.52852(5) 0.38995(3) 0.381956(14) 0.02040(10) Uani 1 1 d . . .
B1 B 0.5800(4) 0.1213(3) 0.24525(12) 0.0329(8) Uani 1 1 d . . .
F1 F 0.6929(2) 0.16809(14) 0.25823(10) 0.0625(7) Uani 1 1 d . . .
F2 F 0.5128(3) 0.1018(2) 0.27988(8) 0.0743(9) Uani 1 1 d . . .
F3 F 0.6161(2) 0.04374(13) 0.22643(7) 0.0496(6) Uani 1 1 d . . .
F4 F 0.5025(2) 0.16980(13) 0.21567(7) 0.0448(5) Uani 1 1 d . . .
N1 N 0.0781(3) -0.2824(2) 0.31185(10) 0.0435(8) Uani 1 1 d . . .
N2 N 0.8032(3) -0.2365(3) 0.55626(10) 0.0578(11) Uani 1 1 d . . .
N3 N 0.9082(3) 0.02979(17) 0.28271(9) 0.0308(6) Uani 1 1 d . . .
N4 N 1.7945(3) 0.2714(3) 0.54385(9) 0.0504(9) Uani 1 1 d . . .
N5 N 1.0401(3) 0.2425(2) 0.30593(11) 0.0461(8) Uani 1 1 d . . .
N6 N 1.8117(3) 0.5928(2) 0.26062(11) 0.0443(8) Uani 1 1 d . . .
O1 O 0.46754(19) -0.23424(12) 0.39650(6) 0.0194(4) Uani 1 1 d . . .
O2 O 0.36572(19) -0.07172(12) 0.37571(6) 0.0227(4) Uani 1 1 d . . .
O3 O 0.71531(19) -0.16025(12) 0.41183(6) 0.0210(4) Uani 1 1 d . . .
O4 O 0.50781(19) -0.09992(12) 0.45463(6) 0.0215(4) Uani 1 1 d . . .
O5 O 0.6108(2) 0.00098(12) 0.38880(6) 0.0233(4) Uani 1 1 d . . .
O6 O 0.5769(2) -0.14182(12) 0.33562(6) 0.0213(4) Uani 1 1 d . . .
O7 O 1.4930(2) 0.40078(13) 0.44208(6) 0.0238(4) Uani 1 1 d . . .
O8 O 1.7023(2) 0.34224(13) 0.39917(6) 0.0255(4) Uani 1 1 d . . .
O9 O 1.4541(2) 0.27254(12) 0.37987(6) 0.0240(4) Uani 1 1 d . . .
O10 O 1.3564(2) 0.43836(12) 0.36485(6) 0.0240(4) Uani 1 1 d . . .
O11 O 1.6065(2) 0.50620(13) 0.38254(6) 0.0238(4) Uani 1 1 d . . .
O12 O 1.5634(2) 0.37479(13) 0.32236(6) 0.0262(4) Uani 1 1 d . . .
C1 C 0.3453(3) -0.35862(17) 0.37359(9) 0.0247(6) Uani 1 1 d . . .
H1A H 0.4193 -0.3880 0.3895 0.037 Uiso 1 1 calc R . .
H1B H 0.3395 -0.3782 0.3437 0.037 Uiso 1 1 calc R . .
H1C H 0.2635 -0.3731 0.3865 0.037 Uiso 1 1 calc R . .
C2 C 0.3661(3) -0.26251(17) 0.37523(8) 0.0191(5) Uani 1 1 d . . .
C3 C 0.2715(3) -0.20645(18) 0.35380(8) 0.0212(5) Uani 1 1 d . . .
C4 C 0.2721(3) -0.11468(18) 0.35711(9) 0.0216(5) Uani 1 1 d . . .
C5 C 0.1564(3) -0.0625(2) 0.33851(11) 0.0338(7) Uani 1 1 d . . .
H5A H 0.1300 -0.0203 0.3598 0.051 Uiso 1 1 calc R . .
H5B H 0.0828 -0.1020 0.3306 0.051 Uiso 1 1 calc R . .
H5C H 0.1810 -0.0312 0.3130 0.051 Uiso 1 1 calc R . .
C6 C 0.1636(3) -0.2479(2) 0.33052(10) 0.0293(6) Uani 1 1 d . . .
C7 C 0.8965(3) -0.2224(2) 0.45145(10) 0.0304(7) Uani 1 1 d . . .
H7A H 0.9283 -0.2259 0.4227 0.046 Uiso 1 1 calc R . .
H7B H 0.8945 -0.2812 0.4639 0.046 Uiso 1 1 calc R . .
H7C H 0.9555 -0.1851 0.4696 0.046 Uiso 1 1 calc R . .
C8 C 0.7614(3) -0.18468(18) 0.44856(9) 0.0207(5) Uani 1 1 d . . .
C9 C 0.6916(3) -0.17658(19) 0.48582(9) 0.0233(6) Uani 1 1 d . . .
C10 C 0.5700(3) -0.13327(17) 0.48706(9) 0.0198(5) Uani 1 1 d . . .
C11 C 0.5097(3) -0.1218(2) 0.52884(9) 0.0286(6) Uani 1 1 d . . .
H11A H 0.5413 -0.0672 0.5423 0.043 Uiso 1 1 calc R . .
H11B H 0.5346 -0.1711 0.5478 0.043 Uiso 1 1 calc R . .
H11C H 0.4137 -0.1197 0.5238 0.043 Uiso 1 1 calc R . .
C12 C 0.7537(3) -0.2094(2) 0.52520(10) 0.0346(7) Uani 1 1 d . . .
C13 C 0.7377(3) 0.11825(19) 0.36576(11) 0.0325(7) Uani 1 1 d . . .
H13A H 0.7010 0.1525 0.3413 0.049 Uiso 1 1 calc R . .
H13B H 0.8340 0.1190 0.3665 0.049 Uiso 1 1 calc R . .
H13C H 0.7095 0.1437 0.3923 0.049 Uiso 1 1 calc R . .
C14 C 0.6897(3) 0.02623(18) 0.36160(9) 0.0219(5) Uani 1 1 d . . .
C15 C 0.7292(3) -0.02839(18) 0.32843(9) 0.0214(5) Uani 1 1 d . . .
C16 C 0.6664(3) -0.10727(17) 0.31547(9) 0.0207(5) Uani 1 1 d . . .
C17 C 0.7012(3) -0.15238(19) 0.27552(9) 0.0295(7) Uani 1 1 d . . .
H17A H 0.6517 -0.2072 0.2721 0.044 Uiso 1 1 calc R . .
H17B H 0.7957 -0.1651 0.2775 0.044 Uiso 1 1 calc R . .
H17C H 0.6791 -0.1145 0.2508 0.044 Uiso 1 1 calc R . .
C18 C 0.8268(3) 0.00458(18) 0.30269(9) 0.0243(6) Uani 1 1 d . . .
C19 C 1.4966(3) 0.3817(2) 0.51637(9) 0.0293(6) Uani 1 1 d . . .
H19A H 1.5367 0.4323 0.5315 0.044 Uiso 1 1 calc R . .
H19B H 1.5118 0.3292 0.5340 0.044 Uiso 1 1 calc R . .
H19C H 1.4018 0.3914 0.5109 0.044 Uiso 1 1 calc R . .
C20 C 1.5573(3) 0.36978(17) 0.47460(9) 0.0215(5) Uani 1 1 d . . .
C21 C 1.6803(3) 0.32849(18) 0.47319(9) 0.0231(6) Uani 1 1 d . . .
C22 C 1.7495(3) 0.31965(17) 0.43584(9) 0.0226(6) Uani 1 1 d . . .
C23 C 1.8854(3) 0.2829(2) 0.43905(10) 0.0302(7) Uani 1 1 d . . .
H23A H 1.9178 0.2795 0.4104 0.045 Uiso 1 1 calc R . .
H23B H 1.8843 0.2242 0.4516 0.045 Uiso 1 1 calc R . .
H23C H 1.9435 0.3208 0.4572 0.045 Uiso 1 1 calc R . .
C24 C 1.7438(3) 0.2974(2) 0.51271(10) 0.0327(7) Uani 1 1 d . . .
C25 C 1.3249(3) 0.15218(18) 0.35552(10) 0.0301(7) Uani 1 1 d . . .
H25A H 1.3232 0.1359 0.3252 0.045 Uiso 1 1 calc R . .
H25B H 1.2406 0.1371 0.3667 0.045 Uiso 1 1 calc R . .
H25C H 1.3960 0.1205 0.3717 0.045 Uiso 1 1 calc R . .
C26 C 1.3478(3) 0.24812(18) 0.36005(9) 0.0227(6) Uani 1 1 d . . .
C27 C 1.2514(3) 0.30774(18) 0.34236(9) 0.0229(6) Uani 1 1 d . . .
C28 C 1.2585(3) 0.39930(18) 0.34647(8) 0.0219(5) Uani 1 1 d . . .
C29 C 1.1481(3) 0.4554(2) 0.32847(11) 0.0322(7) Uani 1 1 d . . .
H29A H 1.1360 0.5046 0.3479 0.048 Uiso 1 1 calc R . .
H29B H 1.0670 0.4208 0.3253 0.048 Uiso 1 1 calc R . .
H29C H 1.1686 0.4778 0.3004 0.048 Uiso 1 1 calc R . .
C30 C 1.1344(3) 0.2720(2) 0.32186(10) 0.0300(7) Uani 1 1 d . . .
C31 C 1.7169(3) 0.63319(19) 0.36294(11) 0.0305(7) Uani 1 1 d . . .
H31A H 1.6661 0.6753 0.3448 0.046 Uiso 1 1 calc R . .
H31B H 1.8099 0.6367 0.3572 0.046 Uiso 1 1 calc R . .
H31C H 1.7074 0.6468 0.3931 0.046 Uiso 1 1 calc R . .
C32 C 1.6669(3) 0.54300(18) 0.35338(9) 0.0227(6) Uani 1 1 d . . .
C33 C 1.6853(3) 0.50358(19) 0.31354(10) 0.0254(6) Uani 1 1 d . . .
C34 C 1.6303(3) 0.42231(19) 0.29955(9) 0.0237(6) Uani 1 1 d . . .
C35 C 1.6511(4) 0.3897(2) 0.25582(10) 0.0343(7) Uani 1 1 d . . .
H35A H 1.6099 0.3322 0.2517 0.051 Uiso 1 1 calc R . .
H35B H 1.7457 0.3849 0.2525 0.051 Uiso 1 1 calc R . .
H35C H 1.6115 0.4307 0.2345 0.051 Uiso 1 1 calc R . .
C36 C 1.7547(3) 0.5529(2) 0.28402(11) 0.0310(7) Uani 1 1 d . . .
C37 C -0.0051(13) -0.0103(10) -0.0746(4) 0.074(4) Uani 0.50 1 d PDU A -1
H37A H 0.0693 0.0243 -0.0832 0.111 Uiso 0.50 1 calc PR A -1
H37B H -0.0871 0.0127 -0.0886 0.111 Uiso 0.50 1 calc PR A -1
H37C H 0.0060 -0.0714 -0.0830 0.111 Uiso 0.50 1 calc PR A -1
C38 C -0.0107(10) -0.0051(5) -0.0263(3) 0.055(2) Uani 0.50 1 d PDU A -1
C39 C -0.1177(13) -0.0185(13) -0.0050(4) 0.053(3) Uani 0.50 1 d PDU A -1
H39 H -0.1978 -0.0334 -0.0209 0.063 Uiso 0.50 1 calc PR A -1
C40 C -0.1171(12) -0.0119(7) 0.0388(4) 0.075(3) Uani 0.50 1 d PDU A -1
H40 H -0.1924 -0.0205 0.0545 0.090 Uiso 0.50 1 calc PR A -1
C41 C 0.0054(14) 0.0087(10) 0.0572(4) 0.083(4) Uani 0.50 1 d PDU A -1
H41 H 0.0143 0.0141 0.0876 0.100 Uiso 0.50 1 calc PR A -1
C42 C 0.1144(11) 0.0220(6) 0.0362(3) 0.062(2) Uani 0.50 1 d PDU A -1
H42 H 0.1953 0.0370 0.0514 0.075 Uiso 0.50 1 calc PR A -1
C43 C 0.1066(15) 0.0136(15) -0.0083(4) 0.058(3) Uani 0.50 1 d PDU A -1
H43 H 0.1810 0.0207 -0.0244 0.070 Uiso 0.50 1 calc PR A -1
C44 C 0.1845(9) 0.5280(6) -0.0417(3) 0.045(2) Uani 0.50 1 d PDU B -1
H44A H 0.1737 0.5855 -0.0553 0.068 Uiso 0.50 1 calc PR B -1
H44B H 0.1870 0.4827 -0.0638 0.068 Uiso 0.50 1 calc PR B -1
H44C H 0.2669 0.5268 -0.0234 0.068 Uiso 0.50 1 calc PR B -1
C45 C 0.0703(7) 0.5107(4) -0.0147(2) 0.0316(13) Uani 0.50 1 d PDU B -1
C46 C -0.0482(10) 0.4862(10) -0.0339(4) 0.044(2) Uani 0.50 1 d PDU B -1
H46 H -0.0603 0.4781 -0.0641 0.053 Uiso 0.50 1 calc PR B -1
C47 C -0.1500(8) 0.4736(6) -0.0079(4) 0.066(3) Uani 0.50 1 d PDU B -1
H47 H -0.2346 0.4576 -0.0202 0.080 Uiso 0.50 1 calc PR B -1
C48 C -0.1299(10) 0.4840(7) 0.0355(4) 0.070(3) Uani 0.50 1 d PDU B -1
H48 H -0.2002 0.4738 0.0532 0.084 Uiso 0.50 1 calc PR B -1
C49 C -0.0102(10) 0.5087(7) 0.0537(3) 0.063(2) Uani 0.50 1 d PDU B -1
H49 H 0.0038 0.5166 0.0838 0.076 Uiso 0.50 1 calc PR B -1
C50 C 0.0904(11) 0.5221(10) 0.0272(3) 0.042(2) Uani 0.50 1 d PDU B -1
H50 H 0.1747 0.5397 0.0392 0.050 Uiso 0.50 1 calc PR B -1
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N3 134.29(11) 2_655 . ?
N1 Ag1 N5 115.00(12) 2_655 . ?
N3 Ag1 N5 103.40(11) . . ?
N1 Ag1 N6 103.33(12) 2_655 2_845 ?
N3 Ag1 N6 94.47(10) . 2_845 ?
N5 Ag1 N6 98.08(12) . 2_845 ?
N1 Ag1 F1 80.83(10) 2_655 . ?
N3 Ag1 F1 71.53(8) . . ?
N5 Ag1 F1 95.28(10) . . ?
N6 Ag1 F1 162.60(9) 2_845 . ?
O6 Cr1 O2 91.63(8) . . ?
O6 Cr1 O5 90.13(8) . . ?
O2 Cr1 O5 89.35(9) . . ?
O6 Cr1 O1 87.17(8) . . ?
O2 Cr1 O1 89.90(8) . . ?
O5 Cr1 O1 177.17(8) . . ?
O6 Cr1 O3 87.55(8) . . ?
O2 Cr1 O3 178.99(9) . . ?
O5 Cr1 O3 90.05(8) . . ?
O1 Cr1 O3 90.65(8) . . ?
O6 Cr1 O4 175.35(8) . . ?
O2 Cr1 O4 91.69(8) . . ?
O5 Cr1 O4 93.18(8) . . ?
O1 Cr1 O4 89.57(8) . . ?
O3 Cr1 O4 89.17(8) . . ?
O12 Cr2 O10 90.43(9) . . ?
O12 Cr2 O11 90.79(9) . . ?
O10 Cr2 O11 90.83(8) . . ?
O12 Cr2 O9 87.51(9) . . ?
O10 Cr2 O9 90.04(8) . . ?
O11 Cr2 O9 178.10(9) . . ?
O12 Cr2 O7 178.00(9) . . ?
O10 Cr2 O7 90.25(8) . . ?
O11 Cr2 O7 91.08(8) . . ?
O9 Cr2 O7 90.61(9) . . ?
O12 Cr2 O8 89.59(9) . . ?
O10 Cr2 O8 179.52(9) . . ?
O11 Cr2 O8 88.69(9) . . ?
O9 Cr2 O8 90.44(9) . . ?
O7 Cr2 O8 89.75(8) . . ?
F2 B1 F3 108.5(3) . . ?
F2 B1 F4 110.7(3) . . ?
F3 B1 F4 109.3(3) . . ?
F2 B1 F1 109.6(3) . . ?
F3 B1 F1 109.0(3) . . ?
F4 B1 F1 109.7(3) . . ?
B1 F1 Ag1 136.8(2) . . ?
C6 N1 Ag1 142.8(3) . 2_645 ?
C18 N3 Ag1 142.5(2) . . ?
C30 N5 Ag1 138.3(3) . . ?
C36 N6 Ag1 143.0(3) . 2_855 ?
C2 O1 Cr1 126.31(17) . . ?
C4 O2 Cr1 126.43(18) . . ?
C8 O3 Cr1 128.93(18) . . ?
C10 O4 Cr1 127.94(18) . . ?
C14 O5 Cr1 126.53(18) . . ?
C16 O6 Cr1 126.05(18) . . ?
C20 O7 Cr2 128.64(19) . . ?
C22 O8 Cr2 129.09(19) . . ?
C26 O9 Cr2 127.29(18) . . ?
C28 O10 Cr2 127.69(18) . . ?
C32 O11 Cr2 128.13(18) . . ?
C34 O12 Cr2 128.66(19) . . ?
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 122.8(2) . . ?
O1 C2 C1 117.7(2) . . ?
C3 C2 C1 119.4(2) . . ?
C4 C3 C2 124.6(2) . . ?
C4 C3 C6 118.7(3) . . ?
C2 C3 C6 116.4(3) . . ?
O2 C4 C3 123.4(3) . . ?
O2 C4 C5 116.4(3) . . ?
C3 C4 C5 120.1(3) . . ?
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 178.9(4) . . ?
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 . . ?
O3 C8 C9 123.2(3) . . ?
O3 C8 C7 116.6(2) . . ?
C9 C8 C7 120.2(3) . . ?
C10 C9 C8 124.1(3) . . ?
C10 C9 C12 118.2(3) . . ?
C8 C9 C12 117.5(3) . . ?
O4 C10 C9 123.9(3) . . ?
O4 C10 C11 116.1(2) . . ?
C9 C10 C11 119.9(2) . . ?
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 179.0(4) . . ?
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 122.7(2) . . ?
O5 C14 C13 116.5(3) . . ?
C15 C14 C13 120.8(3) . . ?
C16 C15 C14 124.6(3) . . ?
C16 C15 C18 117.6(3) . . ?
C14 C15 C18 117.2(3) . . ?
O6 C16 C15 122.9(3) . . ?
O6 C16 C17 116.8(2) . . ?
C15 C16 C17 120.3(3) . . ?
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 177.9(3) . . ?
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 123.6(3) . . ?
O7 C20 C19 115.8(3) . . ?
C21 C20 C19 120.6(3) . . ?
C20 C21 C22 124.7(3) . . ?
C20 C21 C24 117.9(3) . . ?
C22 C21 C24 117.4(3) . . ?
O8 C22 C21 123.1(3) . . ?
O8 C22 C23 117.0(3) . . ?
C21 C22 C23 119.9(3) . . ?
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 178.9(4) . . ?
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(3) . . ?
O9 C26 C25 117.4(3) . . ?
C27 C26 C25 119.7(3) . . ?
C28 C27 C30 117.4(3) . . ?
C28 C27 C26 125.0(3) . . ?
C30 C27 C26 117.5(3) . . ?
O10 C28 C27 123.0(3) . . ?
O10 C28 C29 116.6(2) . . ?
C27 C28 C29 120.4(3) . . ?
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 178.9(4) . . ?
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 123.4(3) . . ?
O11 C32 C31 116.2(3) . . ?
C33 C32 C31 120.4(3) . . ?
C32 C33 C34 124.9(3) . . ?
C32 C33 C36 117.0(3) . . ?
C34 C33 C36 117.9(3) . . ?
O12 C34 C33 123.4(3) . . ?
O12 C34 C35 116.8(3) . . ?
C33 C34 C35 119.8(3) . . ?
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 179.2(4) . . ?
C43 C38 C39 124.7(9) . . ?
C43 C38 C37 109.8(10) . . ?
C39 C38 C37 125.5(11) . . ?
C38 C39 C40 122.9(11) . . ?
C38 C39 H39 118.5 . . ?
C40 C39 H39 118.5 . . ?
C41 C40 C39 111.8(10) . . ?
C41 C40 H40 124.1 . . ?
C39 C40 H40 124.1 . . ?
C42 C41 C40 125.9(11) . . ?
C42 C41 H41 117.1 . . ?
C40 C41 H41 117.1 . . ?
C41 C42 C43 119.1(12) . . ?
C41 C42 H42 120.4 . . ?
C43 C42 H42 120.4 . . ?
C38 C43 C42 115.5(11) . . ?
C38 C43 H43 122.2 . . ?
C42 C43 H43 122.2 . . ?
C50 C45 C46 122.8(7) . . ?
C50 C45 C44 117.5(8) . . ?
C46 C45 C44 119.7(8) . . ?
C45 C46 C47 117.2(9) . . ?
C45 C46 H46 121.4 . . ?
C47 C46 H46 121.4 . . ?
C48 C47 C46 120.5(9) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C49 C48 C47 120.6(9) . . ?
C49 C48 H48 119.7 . . ?
C47 C48 H48 119.7 . . ?
C48 C49 C50 118.3(9) . . ?
C48 C49 H49 120.9 . . ?
C50 C49 H49 120.9 . . ?
C45 C50 C49 120.5(9) . . ?
C45 C50 H50 119.7 . . ?
C49 C50 H50 119.7 . . ?
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 N1 2.226(3) 2_655 ?
Ag1 N3 2.261(3) . ?
Ag1 N5 2.293(3) . ?
Ag1 N6 2.358(3) 2_845 ?
Ag1 F1 2.958(3) . ?
Cr1 O6 1.9399(19) . ?
Cr1 O2 1.9457(19) . ?
Cr1 O5 1.9474(19) . ?
Cr1 O1 1.9500(19) . ?
Cr1 O3 1.954(2) . ?
Cr1 O4 1.9597(19) . ?
Cr2 O12 1.939(2) . ?
Cr2 O10 1.942(2) . ?
Cr2 O11 1.947(2) . ?
Cr2 O9 1.948(2) . ?
Cr2 O7 1.950(2) . ?
Cr2 O8 1.954(2) . ?
B1 F2 1.358(5) . ?
B1 F3 1.386(4) . ?
B1 F4 1.386(4) . ?
B1 F1 1.390(5) . ?
N1 C6 1.142(4) . ?
N1 Ag1 2.226(3) 2_645 ?
N2 C12 1.140(4) . ?
N3 C18 1.143(4) . ?
N4 C24 1.140(4) . ?
N5 C30 1.141(4) . ?
N6 C36 1.145(4) . ?
N6 Ag1 2.358(3) 2_855 ?
O1 C2 1.264(3) . ?
O2 C4 1.264(3) . ?
O3 C8 1.265(3) . ?
O4 C10 1.263(3) . ?
O5 C14 1.274(3) . ?
O6 C16 1.263(3) . ?
O7 C20 1.261(3) . ?
O8 C22 1.259(3) . ?
O9 C26 1.264(4) . ?
O10 C28 1.264(3) . ?
O11 C32 1.270(3) . ?
O12 C34 1.256(4) . ?
C1 C2 1.485(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.420(4) . ?
C3 C4 1.407(4) . ?
C3 C6 1.422(4) . ?
C4 C5 1.505(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C7 C8 1.490(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.417(4) . ?
C9 C10 1.408(4) . ?
C9 C12 1.433(4) . ?
C10 C11 1.497(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C13 C14 1.492(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.415(4) . ?
C15 C16 1.411(4) . ?
C15 C18 1.419(4) . ?
C16 C17 1.494(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C19 C20 1.499(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.408(4) . ?
C21 C22 1.417(4) . ?
C21 C24 1.434(4) . ?
C22 C23 1.491(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C25 C26 1.490(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.422(4) . ?
C27 C28 1.407(4) . ?
C27 C30 1.421(4) . ?
C28 C29 1.492(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C31 C32 1.493(4) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.410(4) . ?
C33 C34 1.419(4) . ?
C33 C36 1.421(4) . ?
C34 C35 1.487(4) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 C38 1.519(13) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C43 1.315(11) . ?
C38 C39 1.336(11) . ?
C39 C40 1.376(11) . ?
C39 H39 0.9500 . ?
C40 C41 1.373(12) . ?
C40 H40 0.9500 . ?
C41 C42 1.349(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.393(11) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.512(10) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C50 1.323(10) . ?
C45 C46 1.361(10) . ?
C46 C47 1.380(10) . ?
C46 H46 0.9500 . ?
C47 C48 1.369(11) . ?
C47 H47 0.9500 . ?
C48 C49 1.359(11) . ?
C48 H48 0.9500 . ?
C49 C50 1.381(9) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
