#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:07:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179614 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/78/4507800.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_4507800
loop_
_publ_author_name
'Hollis, Courtney A.'
'Batten, Stuart R.'
'Sumby, Christopher J.'
_publ_section_title
;
 Two-Dimensional and Three-Dimensional Coordination Polymers of
 Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and
 Kinetics
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2350
_journal_paper_doi               10.1021/cg400036x
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C50 H30 Ag F6 N8 O4 Sb'
_chemical_formula_weight         1150.44
_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                110.70(3)
_cell_angle_beta                 101.45(3)
_cell_angle_gamma                103.66(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6360(19)
_cell_length_b                   15.622(3)
_cell_length_c                   17.308(3)
_cell_measurement_reflns_used    10215
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.10
_cell_measurement_theta_min      1.32
_cell_volume                     2251.5(11)
_computing_data_collection       Blu-Ice
_computing_molecular_graphics    'XSeed (Barbour, 2001)'
_computing_publication_material  'CIFTAB (Sheldrick)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measurement_device_type  'CCD detector'
_diffrn_measurement_method       'phi scan'
_diffrn_radiation_source         'Australian Synchrotron, Station MX1'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            35950
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.10
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    1.117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Using multiple and symmetry-related data measurements via the program SADABS
See R.H. Blessing, Acta Cryst (1995), A51, 33-38 
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'diamond-shaped block'
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.319
_refine_diff_density_min         -1.587
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     705
_refine_ls_number_reflns         10215
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0652
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1180P)²+4.3291P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2090
_reflns_number_gt                7930
_reflns_number_total             10215
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400036x_si_001.cif
_cod_data_source_block           2d
_cod_original_cell_volume        2251.5(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4507800
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
Ag1 Ag -0.3818(3) 0.43407(11) 0.56370(15) 0.0491(3) Uani 0.80 1 d P . 1
C1 C 0.0471(5) 0.7904(3) 0.2711(3) 0.0352(9) Uani 1 1 d . . .
Ag1A Ag -0.3935(12) 0.4599(5) 0.5657(6) 0.069(2) Uani 0.20 1 d P . 2
C2 C 0.0475(5) 0.8089(3) 0.1956(3) 0.0348(9) Uani 1 1 d . . .
Sb2A Sb 0.56440(11) 0.79359(7) 0.18703(6) 0.0425(3) Uani 0.666(5) 1 d P A 1
C3 C -0.0270(5) 0.7127(3) 0.1857(3) 0.0349(9) Uani 1 1 d . . .
C4 C 0.0870(5) 0.8244(3) 0.3591(3) 0.0361(9) Uani 1 1 d . . .
C5 C 0.0826(5) 0.8731(3) 0.1607(3) 0.0342(9) Uani 1 1 d . . .
C6 C -0.1084(5) 0.6181(3) 0.1331(3) 0.0334(8) Uani 1 1 d . . .
C11 C 0.0205(5) 0.7643(3) 0.4007(3) 0.0345(9) Uani 1 1 d . . .
C12 C -0.1334(5) 0.7062(3) 0.3642(3) 0.0346(9) Uani 1 1 d . . .
H12 H -0.1954 0.7096 0.3161 0.042 Uiso 1 1 calc R . .
C13 C -0.1927(5) 0.6443(3) 0.3993(3) 0.0373(9) Uani 1 1 d . . .
H13 H -0.2959 0.6055 0.3754 0.045 Uiso 1 1 calc R . .
C14 C -0.1017(5) 0.6389(3) 0.4692(3) 0.0365(9) Uani 1 1 d . . .
C15 C 0.0487(5) 0.6991(3) 0.5080(3) 0.0404(10) Uani 1 1 d . . .
H15 H 0.1096 0.6967 0.5571 0.048 Uiso 1 1 calc R . .
C16 C 0.1076(5) 0.7622(3) 0.4742(3) 0.0405(10) Uani 1 1 d . . .
H16 H 0.2087 0.8047 0.5014 0.049 Uiso 1 1 calc R . .
C17 C -0.1586(5) 0.5688(3) 0.5002(3) 0.0404(10) Uani 1 1 d . . .
N18 N -0.2061(5) 0.5100(3) 0.5229(3) 0.0443(9) Uani 1 1 d . . .
C21 C 0.2000(5) 0.9216(3) 0.4118(3) 0.0360(9) Uani 1 1 d . . .
C22 C 0.1907(5) 0.9846(3) 0.4895(3) 0.0400(10) Uani 1 1 d . . .
H22 H 0.1130 0.9636 0.5116 0.048 Uiso 1 1 calc R . .
C23 C 0.2942(6) 1.0780(3) 0.5348(3) 0.0434(10) Uani 1 1 d . . .
H23 H 0.2861 1.1214 0.5871 0.052 Uiso 1 1 calc R . .
C24 C 0.4098(5) 1.1076(3) 0.5031(3) 0.0423(10) Uani 1 1 d . . .
C25 C 0.4249(5) 1.0448(3) 0.4278(3) 0.0410(10) Uani 1 1 d . . .
H24 H 0.5057 1.0652 0.4075 0.049 Uiso 1 1 calc R . .
C26 C 0.3210(5) 0.9521(3) 0.3826(3) 0.0372(9) Uani 1 1 d . . .
H25 H 0.3315 0.9085 0.3313 0.045 Uiso 1 1 calc R . .
C27 C 0.5146(6) 1.2056(4) 0.5472(3) 0.0488(12) Uani 1 1 d . . .
N28 N 0.5969(5) 1.2832(3) 0.5777(3) 0.0551(11) Uani 1 1 d . . .
C31 C 0.1454(5) 0.9782(3) 0.2168(3) 0.0353(9) Uani 1 1 d . . .
C32 C 0.0897(6) 1.0201(3) 0.2839(3) 0.0430(10) Uani 1 1 d . . .
H32 H 0.0077 0.9807 0.2922 0.052 Uiso 1 1 calc R . .
C33 C 0.1515(6) 1.1179(3) 0.3387(3) 0.0439(11) Uani 1 1 d . . .
H33 H 0.1106 1.1460 0.3831 0.053 Uiso 1 1 calc R . .
C34 C 0.2759(5) 1.1750(3) 0.3277(3) 0.0393(10) Uani 1 1 d . . .
C35 C 0.3313(6) 1.1349(3) 0.2600(3) 0.0442(11) Uani 1 1 d . . .
H35 H 0.4141 1.1742 0.2522 0.053 Uiso 1 1 calc R . .
C36 C 0.2650(6) 1.0372(3) 0.2040(3) 0.0413(10) Uani 1 1 d . . .
H36 H 0.3007 1.0100 0.1568 0.050 Uiso 1 1 calc R . .
C37 C 0.3493(6) 1.2744(3) 0.3891(3) 0.0429(10) Uani 1 1 d . . .
N38 N 0.4151(5) 1.3521(3) 0.4396(3) 0.0484(10) Uani 1 1 d . . .
C41 C 0.0583(5) 0.8387(3) 0.0662(3) 0.0336(9) Uani 1 1 d . . .
C42 C -0.0081(5) 0.8832(3) 0.0197(3) 0.0377(9) Uani 1 1 d . . .
H42 H -0.0338 0.9382 0.0495 0.045 Uiso 1 1 calc R . .
C43 C -0.0370(5) 0.8484(3) -0.0691(3) 0.0385(9) Uani 1 1 d . . .
H43 H -0.0845 0.8783 -0.1004 0.046 Uiso 1 1 calc R . .
C44 C 0.0040(5) 0.7691(3) -0.1128(3) 0.0347(9) Uani 1 1 d . . .
C45 C 0.0734(5) 0.7249(3) -0.0671(3) 0.0367(9) Uani 1 1 d . . .
H45 H 0.1019 0.6713 -0.0968 0.044 Uiso 1 1 calc R . .
C46 C 0.1005(5) 0.7597(3) 0.0219(3) 0.0362(9) Uani 1 1 d . . .
H46 H 0.1482 0.7299 0.0532 0.043 Uiso 1 1 calc R . .
C47 C -0.0265(6) 0.7334(3) -0.2056(3) 0.0409(10) Uani 1 1 d . . .
N48 N -0.0511(6) 0.7057(3) -0.2792(3) 0.0525(11) Uani 1 1 d . . .
C51 C -0.1744(5) 0.5884(3) 0.0396(3) 0.0328(8) Uani 1 1 d . . .
C52 C -0.2261(5) 0.6518(3) 0.0112(3) 0.0341(8) Uani 1 1 d . . .
H52 H -0.2210 0.7126 0.0526 0.041 Uiso 1 1 calc R . .
C53 C -0.2845(5) 0.6272(3) -0.0763(3) 0.0361(9) Uani 1 1 d . . .
H53 H -0.3181 0.6711 -0.0952 0.043 Uiso 1 1 calc R . .
C54 C -0.2935(5) 0.5366(3) -0.1370(3) 0.0366(9) Uani 1 1 d . . .
C55 C -0.2470(6) 0.4717(3) -0.1102(3) 0.0410(10) Uani 1 1 d . . .
H55 H -0.2550 0.4102 -0.1518 0.049 Uiso 1 1 calc R . .
C56 C -0.1885(5) 0.4970(3) -0.0218(3) 0.0385(9) Uani 1 1 d . . .
H56 H -0.1580 0.4522 -0.0030 0.046 Uiso 1 1 calc R . .
C57 C -0.3496(5) 0.5138(3) -0.2279(3) 0.0411(10) Uani 1 1 d . . .
N58 N -0.3913(5) 0.4972(3) -0.3002(3) 0.0483(10) Uani 1 1 d . . .
C61 C -0.1404(5) 0.5477(3) 0.1715(3) 0.0327(8) Uani 1 1 d . . .
C62 C -0.2838(5) 0.4785(3) 0.1413(3) 0.0376(9) Uani 1 1 d . . .
H62 H -0.3581 0.4738 0.0934 0.045 Uiso 1 1 calc R . .
C63 C -0.3182(5) 0.4166(3) 0.1812(3) 0.0391(9) Uani 1 1 d . . .
H63 H -0.4166 0.3714 0.1619 0.047 Uiso 1 1 calc R . .
C64 C -0.2075(5) 0.4212(3) 0.2496(3) 0.0361(9) Uani 1 1 d . . .
C65 C -0.0625(5) 0.4866(3) 0.2776(3) 0.0358(9) Uani 1 1 d . . .
H65 H 0.0133 0.4880 0.3229 0.043 Uiso 1 1 calc R . .
C66 C -0.0293(5) 0.5495(3) 0.2390(3) 0.0350(9) Uani 1 1 d . . .
H66 H 0.0695 0.5944 0.2583 0.042 Uiso 1 1 calc R . .
C67 C -0.2492(5) 0.3581(3) 0.2911(3) 0.0422(10) Uani 1 1 d . . .
N68 N -0.2879(5) 0.3085(4) 0.3237(3) 0.0556(12) Uani 1 1 d . . .
C71 C 0.4053(6) 0.1977(3) 0.1010(3) 0.0434(10) Uani 1 1 d D . .
H71A H 0.3116 0.1766 0.1136 0.065 Uiso 1 1 calc R . .
H71B H 0.4052 0.2503 0.0827 0.065 Uiso 1 1 calc R . .
H71C H 0.4908 0.2209 0.1533 0.065 Uiso 1 1 calc R . .
N72 N 0.4164(6) 0.1249(4) 0.0390(7) 0.101(3) Uani 1 1 d D . .
O73 O 0.3158(6) 0.0471(4) 0.0143(5) 0.0886(17) Uani 1 1 d . . .
O74 O 0.5237(18) 0.1357(6) 0.0154(7) 0.194(6) Uani 1 1 d . . .
F82 F 0.7398(7) 0.8702(5) 0.2822(3) 0.0696(17) Uani 0.666(5) 1 d P A 1
F83 F 0.6264(7) 0.6859(4) 0.1708(4) 0.0593(14) Uani 0.666(5) 1 d P A 1
F84 F 0.4596(7) 0.7636(4) 0.2579(4) 0.0643(15) Uani 0.666(5) 1 d P A 1
F85 F 0.5016(7) 0.9009(4) 0.2032(5) 0.0728(18) Uani 0.666(5) 1 d P A 1
F86 F 0.6712(7) 0.8283(5) 0.1164(4) 0.0467(12) Uani 0.666(5) 1 d P A 1
F87 F 0.3964(6) 0.7180(4) 0.0891(4) 0.0562(14) Uani 0.666(5) 1 d P A 1
Sb91 Sb 0.55537(19) 0.8278(3) 0.16908(15) 0.0663(10) Uani 0.334(5) 1 d P A 2
F92 F 0.639(3) 0.9354(16) 0.2760(9) 0.152(9) Uani 0.334(5) 1 d P A 2
F93 F 0.642(2) 0.754(2) 0.2158(18) 0.155(11) Uani 0.334(5) 1 d P A 2
F94 F 0.468(2) 0.7200(11) 0.0641(10) 0.096(5) Uani 0.334(5) 1 d P A 2
F95 F 0.4690(19) 0.9023(12) 0.1223(15) 0.119(7) Uani 0.334(5) 1 d P A 2
F96 F 0.390(2) 0.7866(14) 0.2022(11) 0.105(5) Uani 0.334(5) 1 d P A 2
F97 F 0.7240(18) 0.8647(15) 0.1327(16) 0.118(9) Uani 0.334(5) 1 d P A 2
O77 O 0.639(7) 1.110(3) 0.3204(16) 0.85(5) Uani 1 1 d DU . .
N76 N 0.6700(15) 1.0963(7) 0.2542(12) 0.63(4) Uani 1 1 d D . .
C75 C 0.7885(17) 1.0726(11) 0.230(2) 0.48(3) Uani 1 1 d D . .
H75A H 0.7787 1.0668 0.1706 0.717 Uiso 1 1 calc R . .
H75B H 0.7878 1.0106 0.2318 0.717 Uiso 1 1 calc R . .
H75C H 0.8832 1.1234 0.2697 0.717 Uiso 1 1 calc R . .
O78 O 0.5901(11) 1.0924(7) 0.1807(7) 0.158(4) Uani 1 1 d 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'
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'
N N 0.0061 0.0033 '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'
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
N18 Ag1 N58 121.17(18) . 1_556
N18 Ag1 N38 103.96(19) . 1_445
N58 Ag1 N38 126.0(2) 1_556 1_445
N18 Ag1 N28 125.6(2) . 1_445
N58 Ag1 N28 87.43(19) 1_556 1_445
N38 Ag1 N28 89.25(18) 1_445 1_445
C4 C1 C2 149.0(4) . .
C4 C1 C3 151.0(4) . .
C2 C1 C3 59.9(3) . .
N18 Ag1A N58 126.3(5) . 1_556
N18 Ag1A N38 105.0(4) . 1_445
N58 Ag1A N38 128.5(5) 1_556 1_445
C5 C2 C1 149.3(4) . .
C5 C2 C3 150.3(4) . .
C1 C2 C3 60.2(3) . .
F84 Sb2A F83 90.2(3) . .
F84 Sb2A F85 89.6(3) . .
F83 Sb2A F85 179.8(3) . .
F84 Sb2A F87 91.1(3) . .
F83 Sb2A F87 89.9(3) . .
F85 Sb2A F87 89.9(3) . .
F84 Sb2A F82 91.7(3) . .
F83 Sb2A F82 89.5(3) . .
F85 Sb2A F82 90.7(3) . .
F87 Sb2A F82 177.1(3) . .
F84 Sb2A F86 178.2(3) . .
F83 Sb2A F86 91.5(3) . .
F85 Sb2A F86 88.7(3) . .
F87 Sb2A F86 89.6(3) . .
F82 Sb2A F86 87.7(3) . .
C6 C3 C2 149.6(4) . .
C6 C3 C1 150.5(4) . .
C2 C3 C1 59.9(3) . .
C1 C4 C21 118.4(4) . .
C1 C4 C11 120.7(4) . .
C21 C4 C11 120.9(4) . .
C2 C5 C31 120.1(4) . .
C2 C5 C41 120.5(4) . .
C31 C5 C41 119.4(4) . .
C3 C6 C51 119.6(4) . .
C3 C6 C61 119.7(4) . .
C51 C6 C61 120.5(3) . .
C16 C11 C12 119.4(4) . .
C16 C11 C4 121.0(4) . .
C12 C11 C4 119.6(4) . .
C13 C12 C11 119.5(4) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C12 C13 C14 120.2(4) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C13 C14 C15 120.7(4) . .
C13 C14 C17 120.3(4) . .
C15 C14 C17 119.0(4) . .
C16 C15 C14 119.2(4) . .
C16 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
C15 C16 C11 120.8(4) . .
C15 C16 H16 119.6 . .
C11 C16 H16 119.6 . .
N18 C17 C14 178.0(5) . .
C17 N18 Ag1A 139.9(5) . .
C17 N18 Ag1 151.0(4) . .
Ag1A N18 Ag1 11.4(2) . .
C22 C21 C26 118.9(4) . .
C22 C21 C4 122.1(4) . .
C26 C21 C4 119.0(4) . .
C23 C22 C21 120.5(5) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C24 C23 C22 119.5(5) . .
C24 C23 H23 120.2 . .
C22 C23 H23 120.2 . .
C25 C24 C23 121.0(4) . .
C25 C24 C27 118.6(5) . .
C23 C24 C27 120.4(5) . .
C26 C25 C24 119.3(5) . .
C26 C25 H24 120.4 . .
C24 C25 H24 120.4 . .
C25 C26 C21 120.7(4) . .
C25 C26 H25 119.6 . .
C21 C26 H25 119.6 . .
N28 C27 C24 176.3(6) . .
C27 N28 Ag1 138.6(5) . 1_665
C32 C31 C36 119.1(4) . .
C32 C31 C5 121.0(4) . .
C36 C31 C5 119.9(4) . .
C33 C32 C31 121.3(5) . .
C33 C32 H32 119.4 . .
C31 C32 H32 119.4 . .
C32 C33 C34 118.9(5) . .
C32 C33 H33 120.5 . .
C34 C33 H33 120.5 . .
C35 C34 C33 120.6(4) . .
C35 C34 C37 120.1(4) . .
C33 C34 C37 119.3(5) . .
C36 C35 C34 119.7(5) . .
C36 C35 H35 120.2 . .
C34 C35 H35 120.2 . .
C35 C36 C31 120.3(5) . .
C35 C36 H36 119.8 . .
C31 C36 H36 119.8 . .
N38 C37 C34 175.9(6) . .
C37 N38 Ag1 139.3(4) . 1_665
C37 N38 Ag1A 150.1(5) . 1_665
Ag1 N38 Ag1A 10.9(2) 1_665 1_665
C42 C41 C46 119.0(4) . .
C42 C41 C5 120.8(4) . .
C46 C41 C5 120.2(4) . .
C43 C42 C41 120.8(4) . .
C43 C42 H42 119.6 . .
C41 C42 H42 119.6 . .
C42 C43 C44 119.7(4) . .
C42 C43 H43 120.1 . .
C44 C43 H43 120.1 . .
C45 C44 C43 120.3(4) . .
C45 C44 C47 120.5(4) . .
C43 C44 C47 119.2(4) . .
C46 C45 C44 119.6(4) . .
C46 C45 H45 120.2 . .
C44 C45 H45 120.2 . .
C45 C46 C41 120.5(4) . .
C45 C46 H46 119.7 . .
C41 C46 H46 119.7 . .
N48 C47 C44 179.5(5) . .
C52 C51 C56 119.2(4) . .
C52 C51 C6 119.5(4) . .
C56 C51 C6 121.3(4) . .
C53 C52 C51 120.9(4) . .
C53 C52 H52 119.5 . .
C51 C52 H52 119.5 . .
C52 C53 C54 119.1(4) . .
C52 C53 H53 120.4 . .
C54 C53 H53 120.4 . .
C55 C54 C53 120.8(4) . .
C55 C54 C57 120.9(4) . .
C53 C54 C57 118.3(4) . .
C54 C55 C56 119.6(4) . .
C54 C55 H55 120.2 . .
C56 C55 H55 120.2 . .
C55 C56 C51 120.2(4) . .
C55 C56 H56 119.9 . .
C51 C56 H56 119.9 . .
N58 C57 C54 178.4(5) . .
C57 N58 Ag1A 159.9(6) . 1_554
C57 N58 Ag1 151.7(5) . 1_554
Ag1A N58 Ag1 11.2(2) 1_554 1_554
C62 C61 C66 119.0(4) . .
C62 C61 C6 119.9(4) . .
C66 C61 C6 121.1(4) . .
C63 C62 C61 120.3(4) . .
C63 C62 H62 119.8 . .
C61 C62 H62 119.8 . .
C62 C63 C64 119.8(4) . .
C62 C63 H63 120.1 . .
C64 C63 H63 120.1 . .
C65 C64 C63 120.5(4) . .
C65 C64 C67 121.5(4) . .
C63 C64 C67 118.0(4) . .
C66 C65 C64 119.6(4) . .
C66 C65 H65 120.2 . .
C64 C65 H65 120.2 . .
C65 C66 C61 120.7(4) . .
C65 C66 H66 119.7 . .
C61 C66 H66 119.7 . .
N68 C67 C64 177.2(6) . .
N72 C71 H71A 109.5 . .
N72 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
N72 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
O74 N72 O73 125.2(9) . .
O74 N72 C71 119.5(7) . .
O73 N72 C71 115.0(7) . .
F94 Sb91 F96 88.8(8) . .
F94 Sb91 F92 178.4(10) . .
F96 Sb91 F92 89.7(10) . .
F94 Sb91 F93 89.3(11) . .
F96 Sb91 F93 87.7(9) . .
F92 Sb91 F93 90.6(13) . .
F94 Sb91 F95 90.9(8) . .
F96 Sb91 F95 92.5(9) . .
F92 Sb91 F95 89.2(10) . .
F93 Sb91 F95 179.7(10) . .
F94 Sb91 F97 89.3(9) . .
F96 Sb91 F97 177.7(8) . .
F92 Sb91 F97 92.2(10) . .
F93 Sb91 F97 91.0(10) . .
F95 Sb91 F97 88.8(10) . .
O77 N76 O78 128(3) . .
O77 N76 C75 131(4) . .
O78 N76 C75 100.3(16) . .
N76 C75 H75A 109.5 . .
N76 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
N76 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N18 2.211(5) .
Ag1 N58 2.240(5) 1_556
Ag1 N38 2.300(5) 1_445
Ag1 N28 2.419(5) 1_445
C1 C4 1.359(6) .
C1 C2 1.435(6) .
C1 C3 1.440(5) .
Ag1A N18 2.166(11) .
Ag1A N58 2.179(10) 1_556
Ag1A N38 2.311(10) 1_445
C2 C5 1.355(6) .
C2 C3 1.435(6) .
Sb2A F84 1.850(5) .
Sb2A F83 1.863(6) .
Sb2A F85 1.863(6) .
Sb2A F87 1.866(5) .
Sb2A F82 1.883(5) .
Sb2A F86 1.885(6) .
C3 C6 1.359(6) .
C4 C21 1.472(5) .
C4 C11 1.479(6) .
C5 C31 1.476(5) .
C5 C41 1.478(6) .
C6 C51 1.470(5) .
C6 C61 1.478(6) .
C11 C16 1.393(6) .
C11 C12 1.417(6) .
C12 C13 1.386(6) .
C12 H12 0.9500 .
C13 C14 1.388(6) .
C13 H13 0.9500 .
C14 C15 1.400(6) .
C14 C17 1.427(6) .
C15 C16 1.383(6) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 N18 1.156(6) .
C21 C22 1.392(6) .
C21 C26 1.409(6) .
C22 C23 1.391(6) .
C22 H22 0.9500 .
C23 C24 1.390(7) .
C23 H23 0.9500 .
C24 C25 1.386(7) .
C24 C27 1.443(6) .
C25 C26 1.384(6) .
C25 H24 0.9500 .
C26 H25 0.9500 .
C27 N28 1.143(7) .
N28 Ag1 2.419(5) 1_665
C31 C32 1.393(7) .
C31 C36 1.403(6) .
C32 C33 1.381(6) .
C32 H32 0.9500 .
C33 C34 1.405(7) .
C33 H33 0.9500 .
C34 C35 1.392(7) .
C34 C37 1.435(6) .
C35 C36 1.388(6) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 N38 1.142(6) .
N38 Ag1 2.300(5) 1_665
N38 Ag1A 2.311(10) 1_665
C41 C42 1.394(6) .
C41 C46 1.402(6) .
C42 C43 1.379(6) .
C42 H42 0.9500 .
C43 C44 1.397(6) .
C43 H43 0.9500 .
C44 C45 1.393(6) .
C44 C47 1.442(6) .
C45 C46 1.385(6) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 N48 1.144(6) .
C51 C52 1.396(6) .
C51 C56 1.401(6) .
C52 C53 1.380(6) .
C52 H52 0.9500 .
C53 C54 1.404(6) .
C53 H53 0.9500 .
C54 C55 1.381(7) .
C54 C57 1.438(6) .
C55 C56 1.393(6) .
C55 H55 0.9500 .
C56 H56 0.9500 .
C57 N58 1.147(6) .
N58 Ag1A 2.179(10) 1_554
N58 Ag1 2.240(5) 1_554
C61 C62 1.400(6) .
C61 C66 1.406(6) .
C62 C63 1.389(6) .
C62 H62 0.9500 .
C63 C64 1.396(6) .
C63 H63 0.9500 .
C64 C65 1.392(6) .
C64 C67 1.442(6) .
C65 C66 1.384(6) .
C65 H65 0.9500 .
C66 H66 0.9500 .
C67 N68 1.145(6) .
C71 N72 1.302(9) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
N72 O74 1.181(14) .
N72 O73 1.230(7) .
Sb91 F94 1.846(13) .
Sb91 F96 1.854(18) .
Sb91 F92 1.862(16) .
Sb91 F93 1.876(15) .
Sb91 F95 1.886(19) .
Sb91 F97 1.89(2) .
O77 N76 1.203(18) .
N76 O78 1.322(14) .
N76 C75 1.378(18) .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
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_4
C4 C1 C2 C5 -4.3(15) . .
C3 C1 C2 C5 174.5(9) . .
C4 C1 C2 C3 -178.8(9) . .
C5 C2 C3 C6 5.3(16) . .
C1 C2 C3 C6 179.6(10) . .
C5 C2 C3 C1 -174.3(10) . .
C4 C1 C3 C6 -0.9(16) . .
C2 C1 C3 C6 -179.6(10) . .
C4 C1 C3 C2 178.7(10) . .
C2 C1 C4 C21 -14.0(11) . .
C3 C1 C4 C21 168.2(8) . .
C2 C1 C4 C11 167.2(7) . .
C3 C1 C4 C11 -10.6(12) . .
C1 C2 C5 C31 -4.9(11) . .
C3 C2 C5 C31 165.3(8) . .
C1 C2 C5 C41 175.2(7) . .
C3 C2 C5 C41 -14.6(12) . .
C2 C3 C6 C51 -10.9(11) . .
C1 C3 C6 C51 168.5(8) . .
C2 C3 C6 C61 174.2(7) . .
C1 C3 C6 C61 -6.4(12) . .
C1 C4 C11 C16 140.1(5) . .
C21 C4 C11 C16 -38.8(7) . .
C1 C4 C11 C12 -38.5(7) . .
C21 C4 C11 C12 142.6(5) . .
C16 C11 C12 C13 -3.5(7) . .
C4 C11 C12 C13 175.1(4) . .
C11 C12 C13 C14 -0.4(7) . .
C12 C13 C14 C15 3.3(7) . .
C12 C13 C14 C17 -174.0(5) . .
C13 C14 C15 C16 -2.1(7) . .
C17 C14 C15 C16 175.2(5) . .
C14 C15 C16 C11 -2.0(8) . .
C12 C11 C16 C15 4.7(7) . .
C4 C11 C16 C15 -173.8(5) . .
C13 C14 C17 N18 51(17) . .
C15 C14 C17 N18 -126(17) . .
C14 C17 N18 Ag1A -106(17) . .
C14 C17 N18 Ag1 -102(17) . .
N58 Ag1A N18 C17 -97.8(8) 1_556 .
N38 Ag1A N18 C17 86.3(7) 1_445 .
N58 Ag1A N18 Ag1 93.1(17) 1_556 .
N38 Ag1A N18 Ag1 -82.9(15) 1_445 .
N58 Ag1 N18 C17 -80.6(8) 1_556 .
N38 Ag1 N18 C17 68.4(8) 1_445 .
N28 Ag1 N18 C17 167.7(7) 1_445 .
N58 Ag1 N18 Ag1A -66.2(15) 1_556 .
N38 Ag1 N18 Ag1A 82.9(16) 1_445 .
N28 Ag1 N18 Ag1A -177.8(17) 1_445 .
C1 C4 C21 C22 142.6(5) . .
C11 C4 C21 C22 -38.5(7) . .
C1 C4 C21 C26 -37.0(6) . .
C11 C4 C21 C26 141.8(5) . .
C26 C21 C22 C23 3.6(7) . .
C4 C21 C22 C23 -176.0(4) . .
C21 C22 C23 C24 -1.5(7) . .
C22 C23 C24 C25 -1.2(8) . .
C22 C23 C24 C27 177.4(5) . .
C23 C24 C25 C26 1.5(7) . .
C27 C24 C25 C26 -177.0(4) . .
C24 C25 C26 C21 0.7(7) . .
C22 C21 C26 C25 -3.3(7) . .
C4 C21 C26 C25 176.4(4) . .
C25 C24 C27 N28 42(10) . .
C23 C24 C27 N28 -136(10) . .
C24 C27 N28 Ag1 45(10) . 1_665
C2 C5 C31 C32 -41.0(6) . .
C41 C5 C31 C32 138.9(5) . .
C2 C5 C31 C36 137.6(5) . .
C41 C5 C31 C36 -42.5(6) . .
C36 C31 C32 C33 -1.0(7) . .
C5 C31 C32 C33 177.6(4) . .
C31 C32 C33 C34 -2.0(8) . .
C32 C33 C34 C35 3.2(7) . .
C32 C33 C34 C37 -174.3(5) . .
C33 C34 C35 C36 -1.3(7) . .
C37 C34 C35 C36 176.2(5) . .
C34 C35 C36 C31 -1.8(7) . .
C32 C31 C36 C35 3.0(7) . .
C5 C31 C36 C35 -175.7(4) . .
C35 C34 C37 N38 -64(8) . .
C33 C34 C37 N38 113(8) . .
C34 C37 N38 Ag1 -20(9) . 1_665
C34 C37 N38 Ag1A -23(9) . 1_665
C2 C5 C41 C42 134.8(5) . .
C31 C5 C41 C42 -45.1(6) . .
C2 C5 C41 C46 -44.5(6) . .
C31 C5 C41 C46 135.6(4) . .
C46 C41 C42 C43 2.2(7) . .
C5 C41 C42 C43 -177.1(4) . .
C41 C42 C43 C44 -1.6(7) . .
C42 C43 C44 C45 0.2(7) . .
C42 C43 C44 C47 -179.9(4) . .
C43 C44 C45 C46 0.4(6) . .
C47 C44 C45 C46 -179.4(4) . .
C44 C45 C46 C41 0.3(6) . .
C42 C41 C46 C45 -1.6(6) . .
C5 C41 C46 C45 177.7(4) . .
C45 C44 C47 N48 -177(100) . .
C43 C44 C47 N48 4(91) . .
C3 C6 C51 C52 -34.5(6) . .
C61 C6 C51 C52 140.3(4) . .
C3 C6 C51 C56 146.4(5) . .
C61 C6 C51 C56 -38.7(7) . .
C56 C51 C52 C53 -2.8(7) . .
C6 C51 C52 C53 178.1(4) . .
C51 C52 C53 C54 0.9(7) . .
C52 C53 C54 C55 1.0(7) . .
C52 C53 C54 C57 -177.8(4) . .
C53 C54 C55 C56 -0.9(7) . .
C57 C54 C55 C56 177.8(5) . .
C54 C55 C56 C51 -1.1(7) . .
C52 C51 C56 C55 2.9(7) . .
C6 C51 C56 C55 -178.0(4) . .
C55 C54 C57 N58 -108(22) . .
C53 C54 C57 N58 70(22) . .
C54 C57 N58 Ag1A 52(23) . 1_554
C54 C57 N58 Ag1 71(22) . 1_554
C3 C6 C61 C62 137.4(5) . .
C51 C6 C61 C62 -37.5(6) . .
C3 C6 C61 C66 -41.9(6) . .
C51 C6 C61 C66 143.2(4) . .
C66 C61 C62 C63 3.9(7) . .
C6 C61 C62 C63 -175.3(4) . .
C61 C62 C63 C64 -2.3(7) . .
C62 C63 C64 C65 -0.7(7) . .
C62 C63 C64 C67 177.9(5) . .
C63 C64 C65 C66 2.1(7) . .
C67 C64 C65 C66 -176.5(4) . .
C64 C65 C66 C61 -0.4(7) . .
C62 C61 C66 C65 -2.6(7) . .
C6 C61 C66 C65 176.6(4) . .
C65 C64 C67 N68 141(11) . .
C63 C64 C67 N68 -38(11) . .
