#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:06:31 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179613 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/77/4507799.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_4507799
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 B F4 N8 O4'
_chemical_formula_weight         1001.50
_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                112.269(7)
_cell_angle_beta                 98.944(5)
_cell_angle_gamma                102.439(6)
_cell_formula_units_Z            2
_cell_length_a                   9.3749(6)
_cell_length_b                   15.3886(11)
_cell_length_c                   17.2299(11)
_cell_measurement_reflns_used    12890
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.2844
_cell_measurement_theta_min      2.6422
_cell_volume                     2167.6(3)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_molecular_graphics    'X-Seed (Barbour, 2003)'
_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_detector_area_resol_mean 16.1695
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_details
;
  1 omega  -55.00   58.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8463    0.0000   30.0000 113

  2 omega   -6.00   84.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8463   77.0000  150.0000 90

  3 omega  -51.00   50.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8463  -77.0000   30.0000 101

  4 omega  -19.00    6.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8463   91.0000 -104.0000 25

  5 omega  -28.00    8.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6276  -91.0000  -75.0000 36

  6 omega  -92.00  -42.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6276  179.0000  150.0000 50

  7 omega  -34.00   58.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8463  -91.0000  -75.0000 92

  8 omega  -98.00  -32.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6276  179.0000 -120.0000 66

  9 omega  -33.00   19.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6276  -91.0000  -75.0000 52

 10 omega  -98.00  -32.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6276  179.0000   60.0000 66

 11 omega  -92.00    8.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6276  -37.0000    0.0000 100

 12 omega  -19.00   33.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8463   91.0000 -104.0000 52

 13 omega  -13.00   53.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8463   77.0000   90.0000 66

 14 omega  -51.00   51.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6276   77.0000   30.0000 102

 15 omega  -51.00   51.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.6276   77.0000  150.0000 102

;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            48646
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         29.35
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    0.540
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62818
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'diamond-shaped block'
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.392
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     665
_refine_ls_number_reflns         10494
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0660
_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)+(0.0950P)²+4.6320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1720
_refine_ls_wR_factor_ref         0.1944
_reflns_number_gt                7506
_reflns_number_total             10494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400036x_si_001.cif
_cod_data_source_block           2c
_cod_original_cell_volume        2167.6(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4507799
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 0.1209(3) -0.06399(16) 0.57419(17) 0.0308(6) Uani 0.555(19) 1 d P . 1
C1 C 0.4681(4) 0.2188(3) 0.1936(2) 0.0209(7) Uani 1 1 d . . .
Ag1A Ag 0.1114(6) -0.0486(7) 0.5730(2) 0.0703(11) Uani 0.445(19) 1 d P . 2
C2 C 0.5422(4) 0.3150(3) 0.2027(2) 0.0222(7) Uani 1 1 d . . .
C3 C 0.5418(4) 0.2963(3) 0.2783(2) 0.0215(7) Uani 1 1 d . . .
C4 C 0.3850(4) 0.1235(3) 0.1414(2) 0.0201(7) Uani 1 1 d . . .
C5 C 0.5780(4) 0.3781(3) 0.1667(2) 0.0211(7) Uani 1 1 d . . .
C6 C 0.5842(4) 0.3291(3) 0.3660(2) 0.0203(7) Uani 1 1 d . . .
C10 C 0.5533(4) 0.3420(3) 0.0716(2) 0.0211(7) Uani 1 1 d . . .
C11 C 0.3548(4) 0.0504(3) 0.1772(2) 0.0207(7) Uani 1 1 d . . .
C12 C 0.4659(4) 0.0494(3) 0.2413(2) 0.0213(7) Uani 1 1 d . . .
H4 H 0.5644 0.0948 0.2599 0.026 Uiso 1 1 calc R . .
C13 C 0.4351(4) -0.0162(3) 0.2779(2) 0.0215(7) Uani 1 1 d . . .
H22 H 0.5116 -0.0158 0.3214 0.026 Uiso 1 1 calc R . .
C14 C 0.2904(4) -0.0831(3) 0.2503(2) 0.0237(8) Uani 1 1 d . . .
C15 C 0.1799(4) -0.0852(3) 0.1847(3) 0.0261(8) Uani 1 1 d . . .
H45 H 0.0823 -0.1317 0.1651 0.031 Uiso 1 1 calc R . .
C16 C 0.2121(4) -0.0201(3) 0.1483(2) 0.0242(8) Uani 1 1 d . . .
H104 H 0.1366 -0.0228 0.1030 0.029 Uiso 1 1 calc R . .
C17 C 0.2488(4) -0.1493(3) 0.2894(3) 0.0281(8) Uani 1 1 d . . .
N18 N 0.2104(4) -0.2017(3) 0.3198(3) 0.0426(10) Uani 1 1 d . . .
C21 C 0.3186(4) 0.0954(3) 0.0486(2) 0.0211(7) Uani 1 1 d . . .
C22 C 0.3106(5) 0.0042(3) -0.0163(2) 0.0257(8) Uani 1 1 d . . .
H2 H 0.3446 -0.0420 -0.0003 0.031 Uiso 1 1 calc R . .
C23 C 0.2540(5) -0.0193(3) -0.1026(3) 0.0286(8) Uani 1 1 d . . .
H23 H 0.2496 -0.0813 -0.1460 0.034 Uiso 1 1 calc R . .
C24 C 0.2034(4) 0.0480(3) -0.1261(2) 0.0252(8) Uani 1 1 d . . .
C25 C 0.2056(4) 0.1379(3) -0.0627(2) 0.0258(8) Uani 1 1 d . . .
H25 H 0.1683 0.1829 -0.0790 0.031 Uiso 1 1 calc R . .
C26 C 0.2623(4) 0.1611(3) 0.0239(2) 0.0231(8) Uani 1 1 d . . .
H26 H 0.2632 0.2221 0.0672 0.028 Uiso 1 1 calc R . .
C27 C 0.1499(5) 0.0255(3) -0.2168(3) 0.0277(8) Uani 1 1 d . . .
N28 N 0.1108(4) 0.0092(3) -0.2885(2) 0.0335(8) Uani 1 1 d . . .
C31 C 0.5948(4) 0.2593(3) 0.0244(2) 0.0247(8) Uani 1 1 d . . .
H31 H 0.6421 0.2279 0.0542 0.030 Uiso 1 1 calc R . .
C32 C 0.5679(5) 0.2228(3) -0.0650(3) 0.0268(8) Uani 1 1 d . . .
H32 H 0.5976 0.1672 -0.0965 0.032 Uiso 1 1 calc R . .
C33 C 0.4966(5) 0.2686(3) -0.1086(2) 0.0254(8) Uani 1 1 d . . .
C34 C 0.4555(5) 0.3510(3) -0.0620(3) 0.0274(8) Uani 1 1 d . . .
H34 H 0.4073 0.3822 -0.0916 0.033 Uiso 1 1 calc R . .
C35 C 0.4847(5) 0.3873(3) 0.0273(2) 0.0261(8) Uani 1 1 d . . .
H35 H 0.4574 0.4440 0.0588 0.031 Uiso 1 1 calc R . .
C37 C 0.4623(5) 0.2309(3) -0.2023(3) 0.0322(9) Uani 1 1 d . . .
N38 N 0.4346(5) 0.2022(3) -0.2763(2) 0.0414(10) Uani 1 1 d . . .
C41 C 0.6439(4) 0.4849(3) 0.2225(2) 0.0233(8) Uani 1 1 d . . .
C42 C 0.7588(5) 0.5425(3) 0.2041(3) 0.0276(8) Uani 1 1 d . . .
H42 H 0.7890 0.5141 0.1523 0.033 Uiso 1 1 calc R . .
C43 C 0.8291(5) 0.6406(3) 0.2605(3) 0.0281(8) Uani 1 1 d . . .
H43 H 0.9101 0.6787 0.2491 0.034 Uiso 1 1 calc R . .
C44 C 0.7794(4) 0.6827(3) 0.3343(2) 0.0242(8) Uani 1 1 d . . .
C45 C 0.6583(5) 0.6282(3) 0.3510(3) 0.0259(8) Uani 1 1 d . . .
H1 H 0.6220 0.6585 0.3999 0.031 Uiso 1 1 calc R . .
C46 C 0.5918(5) 0.5295(3) 0.2954(3) 0.0256(8) Uani 1 1 d . . .
H46 H 0.5103 0.4916 0.3068 0.031 Uiso 1 1 calc R . .
C47 C 0.8592(4) 0.7819(3) 0.3957(2) 0.0252(8) Uani 1 1 d . . .
N48 N 0.9257(4) 0.8595(3) 0.4473(2) 0.0312(8) Uani 1 1 d . . .
C51 C 0.6978(4) 0.4256(3) 0.4196(2) 0.0195(7) Uani 1 1 d . . .
C52 C 0.8175(4) 0.4582(3) 0.3882(2) 0.0218(7) Uani 1 1 d . . .
H52 H 0.8271 0.4164 0.3334 0.026 Uiso 1 1 calc R . .
C53 C 0.9217(4) 0.5499(3) 0.4352(3) 0.0249(8) Uani 1 1 d . . .
H53 H 1.0024 0.5713 0.4131 0.030 Uiso 1 1 calc R . .
C54 C 0.9074(4) 0.6110(3) 0.5158(2) 0.0235(8) Uani 1 1 d . . .
C55 C 0.7929(5) 0.5788(3) 0.5508(2) 0.0253(8) Uani 1 1 d . . .
H55 H 0.7865 0.6196 0.6067 0.030 Uiso 1 1 calc R . .
C56 C 0.6890(4) 0.4860(3) 0.5023(2) 0.0229(8) Uani 1 1 d . . .
H56 H 0.6109 0.4632 0.5254 0.027 Uiso 1 1 calc R . .
C57 C 1.0128(5) 0.7087(3) 0.5608(3) 0.0313(9) Uani 1 1 d . . .
N58 N 1.0954(5) 0.7867(3) 0.5912(3) 0.0405(9) Uani 1 1 d . . .
C61 C 0.5175(4) 0.2669(3) 0.4068(2) 0.0205(7) Uani 1 1 d . . .
C62 C 0.6070(4) 0.2605(3) 0.4759(2) 0.0224(7) Uani 1 1 d . . .
H62 H 0.7086 0.3021 0.5010 0.027 Uiso 1 1 calc R . .
C63 C 0.5502(5) 0.1947(3) 0.5084(2) 0.0249(8) Uani 1 1 d . . .
H63 H 0.6131 0.1894 0.5543 0.030 Uiso 1 1 calc R . .
C64 C 0.4005(4) 0.1364(3) 0.4732(2) 0.0230(8) Uani 1 1 d . . .
C65 C 0.3059(4) 0.1460(3) 0.4075(2) 0.0234(8) Uani 1 1 d . . .
H65 H 0.2020 0.1086 0.3860 0.028 Uiso 1 1 calc R . .
C66 C 0.3652(4) 0.2107(3) 0.3743(2) 0.0216(7) Uani 1 1 d . . .
H66 H 0.3020 0.2168 0.3292 0.026 Uiso 1 1 calc R . .
C67 C 0.3451(4) 0.0633(3) 0.5036(2) 0.0247(8) Uani 1 1 d . . .
N68 N 0.3034(4) 0.0044(2) 0.5264(2) 0.0294(7) Uani 1 1 d . . .
C71A C 1.0376(10) 0.6156(11) -0.0167(8) 0.095(5) Uani 0.673(12) 1 d P A 1
H71A H 1.0360 0.6611 -0.0438 0.142 Uiso 0.673(12) 1 calc PR A 1
H71B H 1.0082 0.5480 -0.0619 0.142 Uiso 0.673(12) 1 calc PR A 1
H71C H 1.1399 0.6320 0.0194 0.142 Uiso 0.673(12) 1 calc PR A 1
C71B C 0.8706(19) 0.6620(11) -0.0217(11) 0.043(5) Uani 0.327(12) 1 d P A 2
H71D H 0.8658 0.7282 0.0127 0.065 Uiso 0.327(12) 1 calc PR A 2
H71E H 0.7684 0.6186 -0.0557 0.065 Uiso 0.327(12) 1 calc PR A 2
H71F H 0.9346 0.6651 -0.0610 0.065 Uiso 0.327(12) 1 calc PR A 2
N72 N 0.9343(8) 0.6237(4) 0.0360(4) 0.0764(17) Uani 1 1 d . . .
O73 O 0.8199(6) 0.5443(4) 0.0118(4) 0.0853(15) Uani 1 1 d . A .
O74A O 0.9377(13) 0.6903(5) 0.1106(5) 0.076(3) Uani 0.673(12) 1 d P A 1
O74B O 1.029(2) 0.6640(13) 0.1118(9) 0.071(5) Uani 0.327(12) 1 d P A 2
C81 C 0.2394(9) 0.5692(5) 0.2040(4) 0.072(2) Uani 1 1 d . . .
H81A H 0.3329 0.6242 0.2267 0.109 Uiso 1 1 calc R . .
H81B H 0.1595 0.5842 0.1720 0.109 Uiso 1 1 calc R . .
H81C H 0.2570 0.5093 0.1649 0.109 Uiso 1 1 calc R . .
N82 N 0.1949(8) 0.5549(6) 0.2728(4) 0.0822(18) Uani 1 1 d . . .
O83 O 0.0530(9) 0.5114(8) 0.2553(6) 0.161(4) Uani 1 1 d . . .
O84 O 0.2724(8) 0.5737(5) 0.3394(4) 0.108(2) Uani 1 1 d . . .
B91 B 0.0502(14) 0.2671(7) 0.1933(6) 0.082(3) Uani 1 1 d D . .
F92 F -0.0453(6) 0.2291(5) 0.1113(4) 0.1167(18) Uani 1 1 d . B .
F93 F 0.1826(7) 0.3319(4) 0.2095(5) 0.156(3) Uani 1 1 d . B .
F94A F 0.0847(11) 0.1851(9) 0.1998(11) 0.075(4) Uani 0.47(2) 1 d P B 1
F94B F 0.0612(18) 0.2315(14) 0.2423(9) 0.134(6) Uani 0.53(2) 1 d PD B 2
F95A F -0.091(2) 0.2638(10) 0.2217(14) 0.203(13) Uani 0.47(2) 1 d PD B 1
F95B F -0.0336(17) 0.336(2) 0.2295(14) 0.34(2) Uani 0.53(2) 1 d PD B 2
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'
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
N28 Ag1 N68 120.69(17) 1_556 .
N28 Ag1 N48 129.22(19) 1_556 1_445
N68 Ag1 N48 99.62(16) . 1_445
N28 Ag1 N58 88.21(16) 1_556 1_445
N68 Ag1 N58 125.45(18) . 1_445
N48 Ag1 N58 92.43(16) 1_445 1_445
C4 C1 C3 150.3(4) . .
C4 C1 C2 149.4(3) . .
C3 C1 C2 60.3(2) . .
N68 Ag1A N28 123.4(2) . 1_556
N68 Ag1A N48 102.3(2) . 1_445
N28 Ag1A N48 133.1(2) 1_556 1_445
C5 C2 C1 149.9(3) . .
C5 C2 C3 150.2(3) . .
C1 C2 C3 59.8(2) . .
C6 C3 C1 150.6(3) . .
C6 C3 C2 149.5(3) . .
C1 C3 C2 59.9(2) . .
C1 C4 C11 120.9(3) . .
C1 C4 C21 118.9(3) . .
C11 C4 C21 120.1(3) . .
C2 C5 C10 120.9(3) . .
C2 C5 C41 120.1(3) . .
C10 C5 C41 118.9(3) . .
C3 C6 C51 119.8(3) . .
C3 C6 C61 119.7(3) . .
C51 C6 C61 120.5(3) . .
C35 C10 C31 119.0(3) . .
C35 C10 C5 120.9(3) . .
C31 C10 C5 120.1(3) . .
C12 C11 C16 118.1(3) . .
C12 C11 C4 121.4(3) . .
C16 C11 C4 120.5(3) . .
C13 C12 C11 121.4(3) . .
C13 C12 H4 119.3 . .
C11 C12 H4 119.3 . .
C12 C13 C14 119.3(3) . .
C12 C13 H22 120.3 . .
C14 C13 H22 120.3 . .
C15 C14 C13 120.0(3) . .
C15 C14 C17 118.0(4) . .
C13 C14 C17 122.0(3) . .
C16 C15 C14 120.1(4) . .
C16 C15 H45 119.9 . .
C14 C15 H45 119.9 . .
C15 C16 C11 121.0(3) . .
C15 C16 H104 119.5 . .
C11 C16 H104 119.5 . .
N18 C17 C14 177.4(4) . .
C22 C21 C26 118.6(3) . .
C22 C21 C4 121.6(3) . .
C26 C21 C4 119.7(3) . .
C23 C22 C21 120.9(4) . .
C23 C22 H2 119.5 . .
C21 C22 H2 119.5 . .
C22 C23 C24 119.6(4) . .
C22 C23 H23 120.2 . .
C24 C23 H23 120.2 . .
C23 C24 C25 120.5(3) . .
C23 C24 C27 119.9(4) . .
C25 C24 C27 119.6(4) . .
C26 C25 C24 119.6(4) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C25 C26 C21 120.6(3) . .
C25 C26 H26 119.7 . .
C21 C26 H26 119.7 . .
N28 C27 C24 178.3(5) . .
C27 N28 Ag1A 156.6(5) . 1_554
C27 N28 Ag1 150.4(4) . 1_554
Ag1A N28 Ag1 7.1(3) 1_554 1_554
C32 C31 C10 120.8(3) . .
C32 C31 H31 119.6 . .
C10 C31 H31 119.6 . .
C31 C32 C33 119.4(4) . .
C31 C32 H32 120.3 . .
C33 C32 H32 120.3 . .
C34 C33 C32 120.1(4) . .
C34 C33 C37 118.9(3) . .
C32 C33 C37 121.1(4) . .
C35 C34 C33 119.9(4) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C10 120.8(4) . .
C34 C35 H35 119.6 . .
C10 C35 H35 119.6 . .
N38 C37 C33 179.1(4) . .
C42 C41 C46 119.2(3) . .
C42 C41 C5 121.0(3) . .
C46 C41 C5 119.8(3) . .
C43 C42 C41 120.7(4) . .
C43 C42 H42 119.7 . .
C41 C42 H42 119.7 . .
C42 C43 C44 119.2(4) . .
C42 C43 H43 120.4 . .
C44 C43 H43 120.4 . .
C43 C44 C45 121.1(3) . .
C43 C44 C47 119.0(4) . .
C45 C44 C47 119.8(4) . .
C46 C45 C44 119.2(4) . .
C46 C45 H1 120.4 . .
C44 C45 H1 120.4 . .
C45 C46 C41 120.5(4) . .
C45 C46 H46 119.7 . .
C41 C46 H46 119.7 . .
N48 C47 C44 176.8(4) . .
C47 N48 Ag1A 146.0(5) . 1_665
C47 N48 Ag1 139.2(3) . 1_665
Ag1A N48 Ag1 6.8(3) 1_665 1_665
C52 C51 C56 118.9(3) . .
C52 C51 C6 119.9(3) . .
C56 C51 C6 121.2(3) . .
C53 C52 C51 121.1(3) . .
C53 C52 H52 119.4 . .
C51 C52 H52 119.4 . .
C52 C53 C54 119.2(4) . .
C52 C53 H53 120.4 . .
C54 C53 H53 120.4 . .
C53 C54 C55 121.1(3) . .
C53 C54 C57 117.7(4) . .
C55 C54 C57 121.2(4) . .
C56 C55 C54 118.7(3) . .
C56 C55 H55 120.6 . .
C54 C55 H55 120.6 . .
C55 C56 C51 120.8(4) . .
C55 C56 H56 119.6 . .
C51 C56 H56 119.6 . .
N58 C57 C54 175.3(5) . .
C57 N58 Ag1 138.1(4) . 1_665
C62 C61 C66 119.0(3) . .
C62 C61 C6 120.5(3) . .
C66 C61 C6 120.4(3) . .
C63 C62 C61 121.0(3) . .
C63 C62 H62 119.5 . .
C61 C62 H62 119.5 . .
C62 C63 C64 119.2(3) . .
C62 C63 H63 120.4 . .
C64 C63 H63 120.4 . .
C63 C64 C65 120.7(3) . .
C63 C64 C67 118.7(3) . .
C65 C64 C67 120.5(3) . .
C66 C65 C64 119.3(3) . .
C66 C65 H65 120.3 . .
C64 C65 H65 120.3 . .
C65 C66 C61 120.5(3) . .
C65 C66 H66 119.8 . .
C61 C66 H66 119.8 . .
N68 C67 C64 178.3(4) . .
C67 N68 Ag1A 139.0(5) . .
C67 N68 Ag1 146.1(3) . .
Ag1A N68 Ag1 7.1(3) . .
N72 C71A H71A 109.5 . .
N72 C71A H71B 109.5 . .
N72 C71A H71C 109.5 . .
N72 C71B H71D 109.5 . .
N72 C71B H71E 109.5 . .
H71D C71B H71E 109.5 . .
N72 C71B H71F 109.5 . .
H71D C71B H71F 109.5 . .
H71E C71B H71F 109.5 . .
O74B N72 O74A 46.6(8) . .
O74B N72 O73 122.0(9) . .
O74A N72 O73 110.7(7) . .
O74B N72 C71A 99.6(12) . .
O74A N72 C71A 132.9(9) . .
O73 N72 C71A 115.8(7) . .
O74B N72 C71B 133.8(11) . .
O74A N72 C71B 100.5(8) . .
O73 N72 C71B 97.8(9) . .
C71A N72 C71B 80.7(8) . .
N82 C81 H81A 109.5 . .
N82 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
N82 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
O84 N82 O83 119.3(8) . .
O84 N82 C81 126.7(7) . .
O83 N82 C81 113.9(7) . .
F94B B91 F93 108.3(13) . .
F94B B91 F92 129.3(11) . .
F93 B91 F92 117.2(8) . .
F94B B91 F94A 39.7(8) . .
F93 B91 F94A 105.6(10) . .
F92 B91 F94A 104.2(9) . .
F94B B91 F95B 102.4(19) . .
F93 B91 F95B 98.7(12) . .
F92 B91 F95B 92.1(11) . .
F94A B91 F95B 139.8(17) . .
F94B B91 F95A 75.5(14) . .
F93 B91 F95A 138.8(10) . .
F92 B91 F95A 84.2(12) . .
F94A B91 F95A 101.9(10) . .
F95B B91 F95A 42.7(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N28 2.230(4) 1_556
Ag1 N68 2.243(4) .
Ag1 N48 2.322(4) 1_445
Ag1 N58 2.391(4) 1_445
C1 C4 1.362(5) .
C1 C3 1.429(5) .
C1 C2 1.430(5) .
Ag1A N68 2.206(5) .
Ag1A N28 2.210(5) 1_556
Ag1A N48 2.273(5) 1_445
C2 C5 1.349(5) .
C2 C3 1.437(5) .
C3 C6 1.357(5) .
C4 C11 1.473(5) .
C4 C21 1.478(5) .
C5 C10 1.479(5) .
C5 C41 1.480(5) .
C6 C51 1.471(5) .
C6 C61 1.481(5) .
C10 C35 1.388(5) .
C10 C31 1.399(5) .
C11 C12 1.402(5) .
C11 C16 1.405(5) .
C12 C13 1.384(5) .
C12 H4 0.9500 .
C13 C14 1.398(5) .
C13 H22 0.9500 .
C14 C15 1.394(5) .
C14 C17 1.440(5) .
C15 C16 1.376(5) .
C15 H45 0.9500 .
C16 H104 0.9500 .
C17 N18 1.144(5) .
C21 C22 1.401(5) .
C21 C26 1.403(5) .
C22 C23 1.375(5) .
C22 H2 0.9500 .
C23 C24 1.391(6) .
C23 H23 0.9500 .
C24 C25 1.394(5) .
C24 C27 1.443(5) .
C25 C26 1.379(5) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 N28 1.145(5) .
N28 Ag1A 2.210(5) 1_554
N28 Ag1 2.230(4) 1_554
C31 C32 1.385(5) .
C31 H31 0.9500 .
C32 C33 1.397(5) .
C32 H32 0.9500 .
C33 C34 1.391(6) .
C33 C37 1.447(5) .
C34 C35 1.380(5) .
C34 H34 0.9500 .
C35 H35 0.9500 .
C37 N38 1.144(5) .
C41 C42 1.398(5) .
C41 C46 1.404(5) .
C42 C43 1.384(5) .
C42 H42 0.9500 .
C43 C44 1.394(6) .
C43 H43 0.9500 .
C44 C45 1.396(6) .
C44 C47 1.431(5) .
C45 C46 1.385(5) .
C45 H1 0.9500 .
C46 H46 0.9500 .
C47 N48 1.144(5) .
N48 Ag1A 2.273(5) 1_665
N48 Ag1 2.322(4) 1_665
C51 C52 1.399(5) .
C51 C56 1.403(5) .
C52 C53 1.376(5) .
C52 H52 0.9500 .
C53 C54 1.398(5) .
C53 H53 0.9500 .
C54 C55 1.400(6) .
C54 C57 1.441(5) .
C55 C56 1.389(5) .
C55 H55 0.9500 .
C56 H56 0.9500 .
C57 N58 1.145(6) .
N58 Ag1 2.391(4) 1_665
C61 C62 1.395(5) .
C61 C66 1.397(5) .
C62 C63 1.384(5) .
C62 H62 0.9500 .
C63 C64 1.387(5) .
C63 H63 0.9500 .
C64 C65 1.400(5) .
C64 C67 1.446(5) .
C65 C66 1.385(5) .
C65 H65 0.9500 .
C66 H66 0.9500 .
C67 N68 1.137(5) .
C71A N72 1.420(11) .
C71A H71A 0.9800 .
C71A H71B 0.9800 .
C71A H71C 0.9800 .
C71B N72 1.451(13) .
C71B H71D 0.9800 .
C71B H71E 0.9800 .
C71B H71F 0.9800 .
N72 O74B 1.291(14) .
N72 O74A 1.295(9) .
N72 O73 1.314(8) .
C81 N82 1.393(9) .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
N82 O84 1.151(8) .
N82 O83 1.283(10) .
B91 F94B 1.172(13) .
B91 F93 1.327(11) .
B91 F92 1.376(12) .
B91 F94A 1.408(16) .
B91 F95B 1.461(16) .
B91 F95A 1.477(17) .
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 2.7(13) . .
C3 C1 C2 C5 -175.9(8) . .
C4 C1 C2 C3 178.6(8) . .
C4 C1 C3 C6 3.0(13) . .
C2 C1 C3 C6 -178.5(8) . .
C4 C1 C3 C2 -178.5(8) . .
C5 C2 C3 C6 -5.6(13) . .
C1 C2 C3 C6 178.6(8) . .
C5 C2 C3 C1 175.9(8) . .
C3 C1 C4 C11 -9.4(9) . .
C2 C1 C4 C11 173.2(6) . .
C3 C1 C4 C21 167.6(6) . .
C2 C1 C4 C21 -9.9(9) . .
C1 C2 C5 C10 -12.9(9) . .
C3 C2 C5 C10 174.2(6) . .
C1 C2 C5 C41 167.6(6) . .
C3 C2 C5 C41 -5.2(9) . .
C1 C3 C6 C51 166.3(6) . .
C2 C3 C6 C51 -11.2(9) . .
C1 C3 C6 C61 -12.8(9) . .
C2 C3 C6 C61 169.7(6) . .
C2 C5 C10 C35 133.4(4) . .
C41 C5 C10 C35 -47.1(5) . .
C2 C5 C10 C31 -44.5(5) . .
C41 C5 C10 C31 135.0(4) . .
C1 C4 C11 C12 -39.3(5) . .
C21 C4 C11 C12 143.7(4) . .
C1 C4 C11 C16 140.0(4) . .
C21 C4 C11 C16 -37.0(5) . .
C16 C11 C12 C13 -2.5(5) . .
C4 C11 C12 C13 176.8(3) . .
C11 C12 C13 C14 0.2(5) . .
C12 C13 C14 C15 1.8(5) . .
C12 C13 C14 C17 -176.3(4) . .
C13 C14 C15 C16 -1.4(6) . .
C17 C14 C15 C16 176.8(4) . .
C14 C15 C16 C11 -1.0(6) . .
C12 C11 C16 C15 3.0(6) . .
C4 C11 C16 C15 -176.3(4) . .
C15 C14 C17 N18 -30(10) . .
C13 C14 C17 N18 148(10) . .
C1 C4 C21 C22 142.8(4) . .
C11 C4 C21 C22 -40.2(5) . .
C1 C4 C21 C26 -37.0(5) . .
C11 C4 C21 C26 140.0(4) . .
C26 C21 C22 C23 2.5(6) . .
C4 C21 C22 C23 -177.4(4) . .
C21 C22 C23 C24 -0.3(6) . .
C22 C23 C24 C25 -1.8(6) . .
C22 C23 C24 C27 177.4(4) . .
C23 C24 C25 C26 1.8(6) . .
C27 C24 C25 C26 -177.5(4) . .
C24 C25 C26 C21 0.4(6) . .
C22 C21 C26 C25 -2.5(6) . .
C4 C21 C26 C25 177.3(4) . .
C23 C24 C27 N28 -105(16) . .
C25 C24 C27 N28 74(16) . .
C24 C27 N28 Ag1A 69(16) . 1_554
C24 C27 N28 Ag1 76(16) . 1_554
C35 C10 C31 C32 -0.1(6) . .
C5 C10 C31 C32 177.8(4) . .
C10 C31 C32 C33 -0.8(6) . .
C31 C32 C33 C34 1.0(6) . .
C31 C32 C33 C37 -178.1(4) . .
C32 C33 C34 C35 -0.2(6) . .
C37 C33 C34 C35 178.9(4) . .
C33 C34 C35 C10 -0.8(6) . .
C31 C10 C35 C34 0.9(6) . .
C5 C10 C35 C34 -177.0(4) . .
C34 C33 C37 N38 8(38) . .
C32 C33 C37 N38 -173(100) . .
C2 C5 C41 C42 141.0(4) . .
C10 C5 C41 C42 -38.5(5) . .
C2 C5 C41 C46 -38.5(5) . .
C10 C5 C41 C46 142.0(4) . .
C46 C41 C42 C43 5.1(6) . .
C5 C41 C42 C43 -174.4(4) . .
C41 C42 C43 C44 -2.8(6) . .
C42 C43 C44 C45 -1.4(6) . .
C42 C43 C44 C47 175.5(4) . .
C43 C44 C45 C46 3.2(6) . .
C47 C44 C45 C46 -173.7(4) . .
C44 C45 C46 C41 -0.9(6) . .
C42 C41 C46 C45 -3.2(6) . .
C5 C41 C46 C45 176.3(3) . .
C43 C44 C47 N48 -106(8) . .
C45 C44 C47 N48 71(8) . .
C44 C47 N48 Ag1A 12(9) . 1_665
C44 C47 N48 Ag1 13(9) . 1_665
C3 C6 C51 C52 -35.4(5) . .
C61 C6 C51 C52 143.7(4) . .
C3 C6 C51 C56 144.8(4) . .
C61 C6 C51 C56 -36.2(5) . .
C56 C51 C52 C53 -3.0(5) . .
C6 C51 C52 C53 177.2(3) . .
C51 C52 C53 C54 0.2(5) . .
C52 C53 C54 C55 2.8(6) . .
C52 C53 C54 C57 -176.2(3) . .
C53 C54 C55 C56 -2.7(6) . .
C57 C54 C55 C56 176.2(4) . .
C54 C55 C56 C51 -0.2(5) . .
C52 C51 C56 C55 3.0(5) . .
C6 C51 C56 C55 -177.1(3) . .
C53 C54 C57 N58 42(6) . .
C55 C54 C57 N58 -137(6) . .
C54 C57 N58 Ag1 37(6) . 1_665
C3 C6 C61 C62 139.7(4) . .
C51 C6 C61 C62 -39.3(5) . .
C3 C6 C61 C66 -37.7(5) . .
C51 C6 C61 C66 143.2(4) . .
C66 C61 C62 C63 4.6(6) . .
C6 C61 C62 C63 -172.9(3) . .
C61 C62 C63 C64 -2.0(6) . .
C62 C63 C64 C65 -2.1(6) . .
C62 C63 C64 C67 175.9(3) . .
C63 C64 C65 C66 3.6(5) . .
C67 C64 C65 C66 -174.5(3) . .
C64 C65 C66 C61 -0.9(5) . .
C62 C61 C66 C65 -3.1(5) . .
C6 C61 C66 C65 174.4(3) . .
C63 C64 C67 N68 -74(15) . .
C65 C64 C67 N68 104(15) . .
C64 C67 N68 Ag1A -155(15) . .
C64 C67 N68 Ag1 -154(15) . .
N28 Ag1A N68 C67 -89.8(8) 1_556 .
N48 Ag1A N68 C67 78.8(6) 1_445 .
N28 Ag1A N68 Ag1 93.5(14) 1_556 .
N48 Ag1A N68 Ag1 -97.9(13) 1_445 .
N28 Ag1 N68 C67 -77.8(6) 1_556 .
N48 Ag1 N68 C67 70.1(6) 1_445 .
N58 Ag1 N68 C67 170.0(5) 1_445 .
N28 Ag1 N68 Ag1A -73.9(12) 1_556 .
N48 Ag1 N68 Ag1A 73.9(12) 1_445 .
N58 Ag1 N68 Ag1A 173.9(14) 1_445 .
