#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:43:06 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179152 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/13/4311342.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_4311342
loop_
_publ_author_name
'Yu-Bin Dong'
'Peng Wang'
'Ru-Qi Huang'
'Mark D. Smith'
_publ_section_title
;
 Syntheses and Structures of Ag(I)-Containing Coordination Polymers and
 Co(II)-Containing Supramolecular Complex Based on Novel Fulvene Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4727
_journal_page_last               4739
_journal_paper_doi               10.1021/ic0495517
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C50 H40 Ag F6 N4 O4 Sb'
_chemical_formula_weight         1104.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 111.2640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.7405(19)
_cell_length_b                   9.1035(5)
_cell_length_c                   31.9219(18)
_cell_measurement_reflns_used    8511
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.044
_cell_measurement_theta_min      2.324
_cell_volume                     9408.3(9)
_computing_cell_refinement       'SAINT+ NT V6.22 (Bruker, 2001)'
_computing_data_collection       'SMART NT V5.625 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.22'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            36685
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4416
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.911
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         8372
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0435
_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)+(0.0676P)²+17.5416P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1256
_reflns_number_gt                6892
_reflns_number_total             8372
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0495517si20040528_015556_9.cif
_cod_data_source_block           7
_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_database_code               4311342
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Ag Ag 0.146206(9) -0.07459(4) 0.401535(12) 0.07066(13) Uani 1 1 d . . .
C1 C -0.06078(9) -0.1637(4) 0.48248(10) 0.0425(7) Uani 1 1 d . . .
C2 C -0.06046(10) -0.1885(4) 0.43861(11) 0.0462(8) Uani 1 1 d . . .
H2 H -0.0441 -0.2577 0.4316 0.055 Uiso 1 1 calc R . .
C3 C -0.08803(10) -0.0951(4) 0.40778(11) 0.0442(7) Uani 1 1 d . . .
C4 C -0.10672(9) -0.0053(4) 0.43340(11) 0.0431(7) Uani 1 1 d . . .
C5 C -0.08835(9) -0.0517(4) 0.47887(11) 0.0426(7) Uani 1 1 d . . .
H5 H -0.0942 -0.0119 0.5028 0.051 Uiso 1 1 calc R . .
C6 C -0.09647(10) -0.0944(4) 0.36047(11) 0.0475(8) Uani 1 1 d . . .
C7 C -0.06685(10) -0.1650(4) 0.34288(11) 0.0475(8) Uani 1 1 d . . .
C8 C -0.02462(10) -0.1419(4) 0.36386(12) 0.0503(8) Uani 1 1 d . . .
H8 H -0.0147 -0.0865 0.3901 0.060 Uiso 1 1 calc R . .
C9 C 0.00279(11) -0.2013(4) 0.34580(13) 0.0551(9) Uani 1 1 d . . .
C10 C -0.01153(13) -0.2877(5) 0.30748(14) 0.0707(11) Uani 1 1 d . . .
H10 H 0.0069 -0.3316 0.2963 0.085 Uiso 1 1 calc R . .
C11 C -0.05371(14) -0.3075(5) 0.28614(14) 0.0742(12) Uani 1 1 d . . .
H11 H -0.0636 -0.3636 0.2601 0.089 Uiso 1 1 calc R . .
C12 C -0.08100(12) -0.2454(5) 0.30301(12) 0.0589(9) Uani 1 1 d . . .
H12 H -0.1092 -0.2571 0.2877 0.071 Uiso 1 1 calc R . .
C13 C 0.04594(12) -0.1694(5) 0.36762(14) 0.0627(10) Uani 1 1 d . . .
C14 C -0.13722(10) 0.1011(4) 0.41753(11) 0.0469(8) Uani 1 1 d . . .
C15 C -0.15148(10) 0.1924(4) 0.44751(11) 0.0469(8) Uani 1 1 d . . .
C16 C -0.19373(10) 0.2184(4) 0.43441(11) 0.0493(8) Uani 1 1 d . . .
H16 H -0.2120 0.1776 0.4080 0.059 Uiso 1 1 calc R . .
C17 C -0.20829(11) 0.3051(4) 0.46094(12) 0.0517(8) Uani 1 1 d . . .
C18 C -0.18168(12) 0.3682(4) 0.50017(13) 0.0574(9) Uani 1 1 d . . .
H18 H -0.1918 0.4257 0.5179 0.069 Uiso 1 1 calc R . .
C19 C -0.13983(12) 0.3442(4) 0.51249(12) 0.0583(9) Uani 1 1 d . . .
H19 H -0.1216 0.3872 0.5385 0.070 Uiso 1 1 calc R . .
C20 C -0.12492(11) 0.2576(4) 0.48671(12) 0.0533(9) Uani 1 1 d . . .
H20 H -0.0966 0.2422 0.4956 0.064 Uiso 1 1 calc R . .
C21 C -0.25249(12) 0.3273(4) 0.44575(13) 0.0584(9) Uani 1 1 d . . .
C22 C -0.03499(10) -0.2461(4) 0.52436(11) 0.0500(8) Uani 1 1 d . . .
C23 C 0.01059(11) -0.2221(6) 0.53209(16) 0.0807(14) Uani 1 1 d . . .
H23A H 0.0161 -0.2550 0.5062 0.121 Uiso 1 1 calc R . .
H23B H 0.0273 -0.2766 0.5580 0.121 Uiso 1 1 calc R . .
H23C H 0.0170 -0.1194 0.5369 0.121 Uiso 1 1 calc R . .
C24 C -0.04482(16) -0.4097(5) 0.51880(16) 0.0781(13) Uani 1 1 d . . .
H24A H -0.0736 -0.4245 0.5132 0.117 Uiso 1 1 calc R . .
H24B H -0.0286 -0.4606 0.5457 0.117 Uiso 1 1 calc R . .
H24C H -0.0385 -0.4470 0.4939 0.117 Uiso 1 1 calc R . .
C25 C -0.04452(15) -0.1910(6) 0.56488(13) 0.0798(13) Uani 1 1 d . . .
H25A H -0.0387 -0.0877 0.5688 0.120 Uiso 1 1 calc R . .
H25B H -0.0276 -0.2428 0.5914 0.120 Uiso 1 1 calc R . .
H25C H -0.0731 -0.2079 0.5598 0.120 Uiso 1 1 calc R . .
C26 C 0.19611(11) 0.5885(4) 0.23965(11) 0.0471(8) Uani 1 1 d . . .
C27 C 0.16252(10) 0.4930(4) 0.23184(11) 0.0481(8) Uani 1 1 d . . .
H27 H 0.1539 0.4547 0.2540 0.058 Uiso 1 1 calc R . .
C28 C 0.14377(10) 0.4637(4) 0.18561(11) 0.0470(8) Uani 1 1 d . . .
C29 C 0.16703(11) 0.5464(4) 0.16334(11) 0.0481(8) Uani 1 1 d . . .
C30 C 0.19860(11) 0.6210(4) 0.19831(11) 0.0502(8) Uani 1 1 d . . .
H30 H 0.2182 0.6828 0.1940 0.060 Uiso 1 1 calc R . .
C31 C 0.10747(11) 0.3794(4) 0.16590(12) 0.0561(9) Uani 1 1 d . . .
C32 C 0.08923(11) 0.2916(4) 0.19324(12) 0.0560(9) Uani 1 1 d . . .
C33 C 0.11286(11) 0.2090(4) 0.23017(12) 0.0533(9) Uani 1 1 d . . .
H33 H 0.1415 0.2085 0.2391 0.064 Uiso 1 1 calc R . .
C34 C 0.09375(12) 0.1277(4) 0.25354(13) 0.0560(9) Uani 1 1 d . . .
C35 C 0.05110(13) 0.1249(5) 0.24026(15) 0.0718(11) Uani 1 1 d . . .
H35 H 0.0385 0.0688 0.2560 0.086 Uiso 1 1 calc R . .
C36 C 0.02765(14) 0.2058(6) 0.20351(17) 0.0829(14) Uani 1 1 d . . .
H36 H -0.0010 0.2046 0.1944 0.099 Uiso 1 1 calc R . .
C37 C 0.04613(12) 0.2885(5) 0.18006(14) 0.0707(12) Uani 1 1 d . . .
H37 H 0.0299 0.3428 0.1553 0.085 Uiso 1 1 calc R . .
C38 C 0.11793(14) 0.0498(5) 0.29380(15) 0.0635(10) Uani 1 1 d . . .
C39 C 0.16020(12) 0.5574(4) 0.11747(12) 0.0521(9) Uani 1 1 d . . .
C40 C 0.18965(11) 0.6316(4) 0.10037(12) 0.0521(8) Uani 1 1 d . . .
C41 C 0.17324(12) 0.7099(4) 0.06023(12) 0.0542(9) Uani 1 1 d . . .
H41 H 0.1448 0.7154 0.0455 0.065 Uiso 1 1 calc R . .
C42 C 0.19916(13) 0.7794(5) 0.04230(13) 0.0601(9) Uani 1 1 d . . .
C43 C 0.24193(13) 0.7718(5) 0.06365(15) 0.0726(12) Uani 1 1 d . . .
H43 H 0.2593 0.8209 0.0519 0.087 Uiso 1 1 calc R . .
C44 C 0.25806(13) 0.6897(6) 0.10262(15) 0.0758(12) Uani 1 1 d . . .
H44 H 0.2865 0.6811 0.1168 0.091 Uiso 1 1 calc R . .
C45 C 0.23231(12) 0.6208(5) 0.12057(13) 0.0639(10) Uani 1 1 d . . .
H45 H 0.2437 0.5659 0.1467 0.077 Uiso 1 1 calc R . .
C46 C 0.18162(13) 0.8623(5) 0.00110(15) 0.0649(10) Uani 1 1 d . . .
C47 C 0.22388(12) 0.6426(4) 0.28572(12) 0.0591(9) Uani 1 1 d . . .
C48 C 0.23812(18) 0.5108(6) 0.31737(15) 0.1028(19) Uani 1 1 d . . .
H48A H 0.2555 0.5442 0.3466 0.154 Uiso 1 1 calc R . .
H48B H 0.2533 0.4442 0.3058 0.154 Uiso 1 1 calc R . .
H48C H 0.2145 0.4615 0.3195 0.154 Uiso 1 1 calc R . .
C49 C 0.19996(19) 0.7448(9) 0.3038(2) 0.139(3) Uani 1 1 d . . .
H49A H 0.1909 0.8279 0.2842 0.208 Uiso 1 1 calc R . .
H49B H 0.2172 0.7777 0.3332 0.208 Uiso 1 1 calc R . .
H49C H 0.1764 0.6944 0.3057 0.208 Uiso 1 1 calc R . .
C50 C 0.26191(14) 0.7161(7) 0.28355(16) 0.0946(17) Uani 1 1 d . . .
H50A H 0.2540 0.7997 0.2639 0.142 Uiso 1 1 calc R . .
H50B H 0.2768 0.6479 0.2722 0.142 Uiso 1 1 calc R . .
H50C H 0.2792 0.7476 0.3131 0.142 Uiso 1 1 calc R . .
N1 N 0.07977(11) -0.1400(4) 0.38491(14) 0.0763(10) Uani 1 1 d . . .
N2 N -0.28706(10) 0.3417(4) 0.43232(12) 0.0740(10) Uani 1 1 d . . .
N3 N 0.13666(13) -0.0081(5) 0.32617(14) 0.0795(11) Uani 1 1 d . . .
N4 N 0.16760(13) 0.9251(4) -0.03162(14) 0.0807(11) Uani 1 1 d . . .
O1 O -0.15748(8) 0.1273(4) 0.37525(8) 0.0630(7) Uani 1 1 d . . .
H1A H -0.1518(16) 0.062(5) 0.3548(18) 0.097(18) Uiso 1 1 d . . .
O2 O -0.12784(8) -0.0354(3) 0.33207(8) 0.0624(7) Uani 1 1 d . . .
O3 O 0.08750(9) 0.3762(4) 0.12357(9) 0.0789(9) Uani 1 1 d . . .
O4 O 0.12790(9) 0.5062(3) 0.08642(8) 0.0631(7) Uani 1 1 d . . .
H4A H 0.1067(18) 0.458(6) 0.100(2) 0.12(2) Uiso 1 1 d . . .
Sb Sb 0.110088(9) 0.43227(3) 0.358053(9) 0.06070(12) Uani 1 1 d . . .
F1 F 0.14646(18) 0.3736(8) 0.41181(16) 0.215(3) Uani 1 1 d . . .
F2 F 0.08469(13) 0.2509(4) 0.35005(15) 0.1413(16) Uani 1 1 d . . .
F3 F 0.07515(11) 0.4986(4) 0.38661(12) 0.1137(11) Uani 1 1 d . . .
F4 F 0.13458(19) 0.6107(5) 0.3665(2) 0.210(3) Uani 1 1 d . . .
F5 F 0.14404(10) 0.3681(4) 0.32807(12) 0.1134(11) Uani 1 1 d . . .
F6 F 0.07269(17) 0.4904(8) 0.30463(15) 0.213(3) 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'
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'
Sb Sb -0.5866 1.5461 '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 Ag N2 143.38(15) . 3_545 ?
N1 Ag N3 94.23(15) . . ?
N2 Ag N3 105.39(14) 3_545 . ?
N1 Ag N4 108.56(14) . 6_566 ?
N2 Ag N4 82.48(14) 3_545 6_566 ?
N3 Ag N4 129.47(15) . 6_566 ?
C5 C1 C2 106.8(3) . . ?
C5 C1 C22 127.9(3) . . ?
C2 C1 C22 125.3(3) . . ?
C3 C2 C1 110.6(3) . . ?
C2 C3 C6 125.2(3) . . ?
C2 C3 C4 106.1(3) . . ?
C6 C3 C4 128.7(3) . . ?
C14 C4 C5 125.5(3) . . ?
C14 C4 C3 128.3(3) . . ?
C5 C4 C3 106.2(3) . . ?
C1 C5 C4 110.3(3) . . ?
O2 C6 C3 123.7(3) . . ?
O2 C6 C7 116.8(3) . . ?
C3 C6 C7 119.5(3) . . ?
C8 C7 C12 118.7(3) . . ?
C8 C7 C6 120.5(3) . . ?
C12 C7 C6 120.6(3) . . ?
C9 C8 C7 120.3(3) . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 C13 121.4(4) . . ?
C8 C9 C13 118.2(3) . . ?
C11 C10 C9 119.0(4) . . ?
C12 C11 C10 120.8(4) . . ?
C11 C12 C7 120.7(4) . . ?
N1 C13 C9 178.0(5) . . ?
O1 C14 C4 124.2(3) . . ?
O1 C14 C15 112.8(3) . . ?
C4 C14 C15 123.0(3) . . ?
C20 C15 C16 118.7(3) . . ?
C20 C15 C14 123.6(3) . . ?
C16 C15 C14 117.6(3) . . ?
C17 C16 C15 119.6(3) . . ?
C16 C17 C18 121.3(3) . . ?
C16 C17 C21 117.0(3) . . ?
C18 C17 C21 121.7(3) . . ?
C19 C18 C17 118.8(4) . . ?
C20 C19 C18 120.6(3) . . ?
C19 C20 C15 121.0(3) . . ?
N2 C21 C17 177.2(4) . . ?
C1 C22 C24 110.3(3) . . ?
C1 C22 C23 108.6(3) . . ?
C24 C22 C23 109.5(4) . . ?
C1 C22 C25 110.1(3) . . ?
C24 C22 C25 108.1(4) . . ?
C23 C22 C25 110.2(4) . . ?
C30 C26 C27 107.4(3) . . ?
C30 C26 C47 128.0(3) . . ?
C27 C26 C47 124.6(3) . . ?
C26 C27 C28 110.1(3) . . ?
C27 C28 C31 124.7(3) . . ?
C27 C28 C29 106.6(3) . . ?
C31 C28 C29 128.6(3) . . ?
C39 C29 C30 125.3(3) . . ?
C39 C29 C28 129.1(3) . . ?
C30 C29 C28 105.6(3) . . ?
C26 C30 C29 110.4(3) . . ?
O3 C31 C28 122.6(4) . . ?
O3 C31 C32 115.2(3) . . ?
C28 C31 C32 122.2(3) . . ?
C33 C32 C37 118.8(4) . . ?
C33 C32 C31 122.9(3) . . ?
C37 C32 C31 118.2(4) . . ?
C34 C33 C32 119.8(4) . . ?
C33 C34 C35 121.0(4) . . ?
C33 C34 C38 120.5(4) . . ?
C35 C34 C38 118.4(4) . . ?
C36 C35 C34 119.2(4) . . ?
C37 C36 C35 120.6(4) . . ?
C36 C37 C32 120.5(4) . . ?
N3 C38 C34 177.9(5) . . ?
O4 C39 C29 123.4(4) . . ?
O4 C39 C40 114.0(3) . . ?
C29 C39 C40 122.6(3) . . ?
C45 C40 C41 118.4(4) . . ?
C45 C40 C39 123.9(3) . . ?
C41 C40 C39 117.6(3) . . ?
C42 C41 C40 120.2(4) . . ?
C41 C42 C43 120.9(4) . . ?
C41 C42 C46 119.5(4) . . ?
C43 C42 C46 119.6(4) . . ?
C44 C43 C42 118.6(4) . . ?
C45 C44 C43 120.5(4) . . ?
C44 C45 C40 121.3(4) . . ?
N4 C46 C42 178.8(6) . . ?
C49 C47 C50 111.2(5) . . ?
C49 C47 C26 109.2(3) . . ?
C50 C47 C26 111.1(3) . . ?
C49 C47 C48 108.9(5) . . ?
C50 C47 C48 107.5(4) . . ?
C26 C47 C48 108.9(3) . . ?
C13 N1 Ag 165.7(4) . . ?
C21 N2 Ag 166.6(4) . 3_455 ?
C38 N3 Ag 149.6(4) . . ?
C46 N4 Ag 172.6(4) . 6_565 ?
F1 Sb F4 89.7(3) . . ?
F1 Sb F6 178.7(3) . . ?
F4 Sb F6 90.9(4) . . ?
F1 Sb F2 90.1(3) . . ?
F4 Sb F2 179.10(17) . . ?
F6 Sb F2 89.3(3) . . ?
F1 Sb F5 92.3(2) . . ?
F4 Sb F5 90.40(17) . . ?
F6 Sb F5 88.8(2) . . ?
F2 Sb F5 90.47(14) . . ?
F1 Sb F3 89.2(2) . . ?
F4 Sb F3 89.46(17) . . ?
F6 Sb F3 89.6(2) . . ?
F2 Sb F3 89.67(15) . . ?
F5 Sb F3 178.46(18) . . ?
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
Ag N1 2.253(4) . ?
Ag N2 2.296(3) 3_545 ?
Ag N3 2.385(4) . ?
Ag N4 2.410(4) 6_566 ?
C1 C5 1.375(5) . ?
C1 C2 1.422(5) . ?
C1 C22 1.511(4) . ?
C2 C3 1.388(5) . ?
C3 C6 1.430(5) . ?
C3 C4 1.464(5) . ?
C4 C14 1.389(5) . ?
C4 C5 1.421(4) . ?
C6 O2 1.258(4) . ?
C6 C7 1.485(5) . ?
C7 C8 1.390(5) . ?
C7 C12 1.395(5) . ?
C8 C9 1.389(5) . ?
C9 C10 1.386(5) . ?
C9 C13 1.435(5) . ?
C10 C11 1.386(6) . ?
C11 C12 1.370(6) . ?
C13 N1 1.134(5) . ?
C14 O1 1.298(4) . ?
C14 C15 1.481(5) . ?
C15 C20 1.390(5) . ?
C15 C16 1.393(5) . ?
C16 C17 1.381(5) . ?
C17 C18 1.383(5) . ?
C17 C21 1.447(5) . ?
C18 C19 1.379(5) . ?
C19 C20 1.369(5) . ?
C21 N2 1.127(5) . ?
C22 C24 1.524(5) . ?
C22 C23 1.528(5) . ?
C22 C25 1.531(5) . ?
C26 C30 1.385(5) . ?
C26 C27 1.403(5) . ?
C26 C47 1.519(5) . ?
C27 C28 1.406(5) . ?
C28 C31 1.414(5) . ?
C28 C29 1.464(5) . ?
C29 C39 1.399(5) . ?
C29 C30 1.422(5) . ?
C31 O3 1.276(4) . ?
C31 C32 1.484(6) . ?
C32 C33 1.388(5) . ?
C32 C37 1.401(5) . ?
C33 C34 1.380(5) . ?
C34 C35 1.386(6) . ?
C34 C38 1.442(6) . ?
C35 C36 1.375(7) . ?
C36 C37 1.374(6) . ?
C38 N3 1.132(5) . ?
C39 O4 1.285(4) . ?
C39 C40 1.486(5) . ?
C40 C45 1.389(5) . ?
C40 C41 1.394(5) . ?
C41 C42 1.383(5) . ?
C42 C43 1.394(6) . ?
C42 C46 1.445(6) . ?
C43 C44 1.384(6) . ?
C44 C45 1.376(6) . ?
C46 N4 1.134(5) . ?
C47 C49 1.496(7) . ?
C47 C50 1.505(6) . ?
C47 C48 1.531(6) . ?
N2 Ag 2.296(3) 3_455 ?
N4 Ag 2.410(4) 6_565 ?
Sb F1 1.804(4) . ?
Sb F4 1.808(4) . ?
Sb F6 1.808(4) . ?
Sb F2 1.846(3) . ?
Sb F5 1.862(3) . ?
Sb F3 1.863(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1A O2 0.95(5) 1.56(5) 2.487(4) 161(5) .
O4 H4A O3 1.07(6) 1.39(6) 2.446(4) 166(6) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 -1.1(4) . . . . ?
C22 C1 C2 C3 179.4(3) . . . . ?
C1 C2 C3 C6 -177.7(3) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C2 C3 C4 C14 -177.6(3) . . . . ?
C6 C3 C4 C14 0.4(6) . . . . ?
C2 C3 C4 C5 0.4(4) . . . . ?
C6 C3 C4 C5 178.4(3) . . . . ?
C2 C1 C5 C4 1.3(4) . . . . ?
C22 C1 C5 C4 -179.1(3) . . . . ?
C14 C4 C5 C1 177.0(3) . . . . ?
C3 C4 C5 C1 -1.1(4) . . . . ?
C2 C3 C6 O2 162.4(3) . . . . ?
C4 C3 C6 O2 -15.2(6) . . . . ?
C2 C3 C6 C7 -18.4(5) . . . . ?
C4 C3 C6 C7 164.0(3) . . . . ?
O2 C6 C7 C8 134.7(4) . . . . ?
C3 C6 C7 C8 -44.5(5) . . . . ?
O2 C6 C7 C12 -40.0(5) . . . . ?
C3 C6 C7 C12 140.8(4) . . . . ?
C12 C7 C8 C9 -1.5(6) . . . . ?
C6 C7 C8 C9 -176.3(3) . . . . ?
C7 C8 C9 C10 -1.9(6) . . . . ?
C7 C8 C9 C13 177.5(4) . . . . ?
C8 C9 C10 C11 3.4(7) . . . . ?
C13 C9 C10 C11 -176.0(4) . . . . ?
C9 C10 C11 C12 -1.3(7) . . . . ?
C10 C11 C12 C7 -2.2(7) . . . . ?
C8 C7 C12 C11 3.6(6) . . . . ?
C6 C7 C12 C11 178.4(4) . . . . ?
C10 C9 C13 N1 132(13) . . . . ?
C8 C9 C13 N1 -47(13) . . . . ?
C5 C4 C14 O1 -170.1(3) . . . . ?
C3 C4 C14 O1 7.6(6) . . . . ?
C5 C4 C14 C15 6.9(5) . . . . ?
C3 C4 C14 C15 -175.5(3) . . . . ?
O1 C14 C15 C20 -138.6(4) . . . . ?
C4 C14 C15 C20 44.2(5) . . . . ?
O1 C14 C15 C16 38.7(5) . . . . ?
C4 C14 C15 C16 -138.6(3) . . . . ?
C20 C15 C16 C17 -1.4(5) . . . . ?
C14 C15 C16 C17 -178.8(3) . . . . ?
C15 C16 C17 C18 0.6(6) . . . . ?
C15 C16 C17 C21 -179.6(3) . . . . ?
C16 C17 C18 C19 0.6(6) . . . . ?
C21 C17 C18 C19 -179.2(4) . . . . ?
C17 C18 C19 C20 -1.0(6) . . . . ?
C18 C19 C20 C15 0.3(6) . . . . ?
C16 C15 C20 C19 1.0(5) . . . . ?
C14 C15 C20 C19 178.2(3) . . . . ?
C16 C17 C21 N2 -6(10) . . . . ?
C18 C17 C21 N2 173(100) . . . . ?
C5 C1 C22 C24 121.1(4) . . . . ?
C2 C1 C22 C24 -59.5(5) . . . . ?
C5 C1 C22 C23 -118.9(4) . . . . ?
C2 C1 C22 C23 60.5(5) . . . . ?
C5 C1 C22 C25 1.9(5) . . . . ?
C2 C1 C22 C25 -178.7(3) . . . . ?
C30 C26 C27 C28 0.4(4) . . . . ?
C47 C26 C27 C28 -179.3(3) . . . . ?
C26 C27 C28 C31 -175.6(3) . . . . ?
C26 C27 C28 C29 -0.2(4) . . . . ?
C27 C28 C29 C39 -178.2(4) . . . . ?
C31 C28 C29 C39 -3.0(6) . . . . ?
C27 C28 C29 C30 -0.1(4) . . . . ?
C31 C28 C29 C30 175.1(4) . . . . ?
C27 C26 C30 C29 -0.5(4) . . . . ?
C47 C26 C30 C29 179.3(3) . . . . ?
C39 C29 C30 C26 178.6(3) . . . . ?
C28 C29 C30 C26 0.4(4) . . . . ?
C27 C28 C31 O3 167.6(4) . . . . ?
C29 C28 C31 O3 -6.8(6) . . . . ?
C27 C28 C31 C32 -10.6(6) . . . . ?
C29 C28 C31 C32 175.0(3) . . . . ?
O3 C31 C32 C33 140.1(4) . . . . ?
C28 C31 C32 C33 -41.6(6) . . . . ?
O3 C31 C32 C37 -37.7(5) . . . . ?
C28 C31 C32 C37 140.6(4) . . . . ?
C37 C32 C33 C34 -1.0(5) . . . . ?
C31 C32 C33 C34 -178.7(3) . . . . ?
C32 C33 C34 C35 1.2(6) . . . . ?
C32 C33 C34 C38 -175.6(3) . . . . ?
C33 C34 C35 C36 -0.7(7) . . . . ?
C38 C34 C35 C36 176.1(4) . . . . ?
C34 C35 C36 C37 0.1(8) . . . . ?
C35 C36 C37 C32 0.0(8) . . . . ?
C33 C32 C37 C36 0.4(6) . . . . ?
C31 C32 C37 C36 178.3(4) . . . . ?
C33 C34 C38 N3 102(15) . . . . ?
C35 C34 C38 N3 -75(15) . . . . ?
C30 C29 C39 O4 -169.3(3) . . . . ?
C28 C29 C39 O4 8.5(6) . . . . ?
C30 C29 C39 C40 9.8(6) . . . . ?
C28 C29 C39 C40 -172.4(3) . . . . ?
O4 C39 C40 C45 -141.3(4) . . . . ?
C29 C39 C40 C45 39.5(5) . . . . ?
O4 C39 C40 C41 34.9(5) . . . . ?
C29 C39 C40 C41 -144.2(4) . . . . ?
C45 C40 C41 C42 -2.6(6) . . . . ?
C39 C40 C41 C42 -179.0(3) . . . . ?
C40 C41 C42 C43 0.5(6) . . . . ?
C40 C41 C42 C46 -178.9(4) . . . . ?
C41 C42 C43 C44 1.7(7) . . . . ?
C46 C42 C43 C44 -178.9(4) . . . . ?
C42 C43 C44 C45 -1.9(7) . . . . ?
C43 C44 C45 C40 -0.2(7) . . . . ?
C41 C40 C45 C44 2.4(6) . . . . ?
C39 C40 C45 C44 178.6(4) . . . . ?
C41 C42 C46 N4 -66(24) . . . . ?
C43 C42 C46 N4 115(24) . . . . ?
C30 C26 C47 C49 111.1(5) . . . . ?
C27 C26 C47 C49 -69.2(6) . . . . ?
C30 C26 C47 C50 -11.9(6) . . . . ?
C27 C26 C47 C50 167.8(4) . . . . ?
C30 C26 C47 C48 -130.1(4) . . . . ?
C27 C26 C47 C48 49.7(5) . . . . ?
C9 C13 N1 Ag -90(13) . . . . ?
N2 Ag N1 C13 -113.7(15) 3_545 . . . ?
N3 Ag N1 C13 9.3(15) . . . . ?
N4 Ag N1 C13 143.5(15) 6_566 . . . ?
C17 C21 N2 Ag -102(10) . . . 3_455 ?
C34 C38 N3 Ag 37(15) . . . . ?
N1 Ag N3 C38 45.0(8) . . . . ?
N2 Ag N3 C38 -166.2(8) 3_545 . . . ?
N4 Ag N3 C38 -73.3(8) 6_566 . . . ?
C42 C46 N4 Ag -134(22) . . . 6_565 ?
