#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:26:43 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179631 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/95/4509522.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509522
loop_
_publ_author_name
'Hollis, Courtney A.'
'Hanton, Lyall R.'
'Morris, Jonathan C.'
'Sumby, Christopher J.'
_publ_section_title
;
 2-D Coordination Polymers of Hexa(4-cyanophenyl)[3]-radialene and
 Silver(I): Anion···π-Interactions and Radialene
 C−H···Anion Hydrogen Bonds in the Solid-State
 Interactions of Hexaaryl[3]-radialenes with Anions
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2911
_journal_paper_doi               10.1021/cg9002302
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C50 H30 Ag F6 N8 O4 P'
_chemical_formula_weight         1059.66
_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                111.45(3)
_cell_angle_beta                 99.70(3)
_cell_angle_gamma                102.66(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4660(19)
_cell_length_b                   15.576(3)
_cell_length_c                   17.409(3)
_cell_measurement_temperature    273(2)
_cell_volume                     2241.9(11)
_computing_cell_refinement       'APEXII (Bruker, 2004)'
_computing_data_collection       'APEXII (Bruker, 2004)'
_computing_data_reduction        'APEXII (Bruker, 2004)'
_computing_molecular_graphics    'XSeed (Barbour, 2001)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            47316
_diffrn_reflns_theta_full        27.67
_diffrn_reflns_theta_max         27.67
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    0.567
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.868556
_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    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'diamond-shaped block'
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.964
_refine_diff_density_min         -1.224
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         10217
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0627
_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)+(0.0853P)²+4.5108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1803
_reflns_number_gt                7309
_reflns_number_total             10217
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg9002302sup1.cif
_cod_data_source_block           {[Ag(1)](PF6)(CH3NO2)2}n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2241.9(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509522
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 0.38385(14) 0.57324(15) -0.06605(6) 0.0349(3) Uani 0.882(14) 1 d P . 1
N17 N 0.2082(4) 0.4936(3) -0.0246(2) 0.0314(8) Uani 1 1 d . . .
N37 N -0.4174(4) -0.3478(3) 0.0588(2) 0.0357(8) Uani 1 1 d . . .
N47 N 0.0527(5) 0.2903(3) 0.7757(2) 0.0422(10) Uani 1 1 d . . .
N67 N 0.2892(4) 0.6921(3) 0.1742(3) 0.0414(9) Uani 1 1 d . . .
N57 N 0.3867(4) 0.5053(3) 0.7946(2) 0.0333(8) Uani 1 1 d . . .
C10 C -0.0131(4) 0.2421(3) 0.1016(2) 0.0220(8) Uani 1 1 d . . .
C52 C 0.2468(4) 0.5301(3) 0.6066(3) 0.0270(8) Uani 1 1 d . . .
H52 H 0.2529 0.5908 0.6468 0.032 Uiso 1 1 calc R . .
C14 C 0.1996(4) 0.3581(3) 0.0986(2) 0.0254(8) Uani 1 1 d . . .
H14 H 0.3013 0.3934 0.1193 0.030 Uiso 1 1 calc R . .
C2 C -0.0436(4) 0.1929(3) 0.3041(2) 0.0233(8) Uani 1 1 d . . .
C13 C 0.1066(5) 0.3669(3) 0.0316(2) 0.0258(8) Uani 1 1 d . . .
C16 C 0.1644(5) 0.4366(3) -0.0004(2) 0.0264(8) Uani 1 1 d . . .
C64 C 0.3219(4) 0.5814(3) 0.3141(3) 0.0271(8) Uani 1 1 d . . .
H64 H 0.4184 0.6242 0.3308 0.033 Uiso 1 1 calc R . .
C3 C 0.0309(4) 0.2894(3) 0.3143(2) 0.0235(8) Uani 1 1 d . . .
C60 C 0.1448(4) 0.4536(3) 0.3278(2) 0.0237(8) Uani 1 1 d . . .
C63 C 0.2105(4) 0.5801(3) 0.2495(2) 0.0242(8) Uani 1 1 d . . .
C30 C -0.1451(4) 0.0234(3) 0.2815(2) 0.0245(8) Uani 1 1 d . . .
C32 C -0.3315(5) -0.1311(3) 0.2408(3) 0.0327(9) Uani 1 1 d . . .
H32 H -0.4118 -0.1684 0.2505 0.039 Uiso 1 1 calc R . .
C31 C -0.2638(5) -0.0336(3) 0.2964(3) 0.0303(9) Uani 1 1 d . . .
H31 H -0.2980 -0.0063 0.3440 0.036 Uiso 1 1 calc R . .
C15 C 0.1390(4) 0.2966(3) 0.1335(2) 0.0235(8) Uani 1 1 d . . .
H15 H 0.2000 0.2915 0.1785 0.028 Uiso 1 1 calc R . .
C56 C 0.3462(4) 0.4876(3) 0.7237(3) 0.0275(8) Uani 1 1 d . . .
C66 C 0.2512(5) 0.6429(3) 0.2073(3) 0.0299(9) Uani 1 1 d . . .
C6 C 0.1139(4) 0.3826(3) 0.3655(2) 0.0218(8) Uani 1 1 d . . .
C65 C 0.2898(4) 0.5198(3) 0.3534(2) 0.0256(8) Uani 1 1 d . . .
H65 H 0.3643 0.5219 0.3969 0.031 Uiso 1 1 calc R . .
C55 C 0.2301(4) 0.3480(3) 0.4862(2) 0.0241(8) Uani 1 1 d . . .
H55 H 0.2257 0.2878 0.4460 0.029 Uiso 1 1 calc R . .
C26 C -0.5012(5) -0.1975(3) -0.0458(3) 0.0341(10) Uani 1 1 d . . .
C5 C -0.0810(4) 0.1287(3) 0.3379(2) 0.0244(8) Uani 1 1 d . . .
C4 C -0.0812(4) 0.1815(3) 0.1427(2) 0.0217(8) Uani 1 1 d . . .
C25 C -0.1797(5) 0.0236(3) 0.0113(2) 0.0265(8) Uani 1 1 d . . .
H25 H -0.1025 0.0447 -0.0105 0.032 Uiso 1 1 calc R . .
C45 C 0.0117(5) 0.1151(3) 0.4758(2) 0.0271(8) Uani 1 1 d . . .
H45 H 0.0383 0.0610 0.4453 0.033 Uiso 1 1 calc R . .
C12 C -0.0439(5) 0.3104(3) -0.0030(3) 0.0283(9) Uani 1 1 d . . .
H12 H -0.1047 0.3150 -0.0483 0.034 Uiso 1 1 calc R . .
C53 C 0.2933(4) 0.4636(3) 0.6331(2) 0.0233(8) Uani 1 1 d . . .
C35 C -0.0902(5) -0.0195(3) 0.2117(3) 0.0279(9) Uani 1 1 d . . .
H35 H -0.0094 0.0176 0.2023 0.034 Uiso 1 1 calc R . .
C54 C 0.2866(4) 0.3729(3) 0.5725(2) 0.0258(8) Uani 1 1 d . . .
H54 H 0.3200 0.3295 0.5903 0.031 Uiso 1 1 calc R . .
C11 C -0.1017(4) 0.2473(3) 0.0311(2) 0.0263(8) Uani 1 1 d . . .
H11 H -0.2010 0.2076 0.0069 0.032 Uiso 1 1 calc R . .
C62 C 0.0638(4) 0.5173(3) 0.2249(2) 0.0239(8) Uani 1 1 d . . .
H62 H -0.0116 0.5179 0.1834 0.029 Uiso 1 1 calc R . .
C24 C -0.2814(5) -0.0696(3) -0.0344(3) 0.0302(9) Uani 1 1 d . . .
H24 H -0.2712 -0.1111 -0.0859 0.036 Uiso 1 1 calc R . .
C34 C -0.1548(5) -0.1168(3) 0.1566(3) 0.0287(9) Uani 1 1 d . . .
H34 H -0.1171 -0.1450 0.1108 0.034 Uiso 1 1 calc R . .
C33 C -0.2776(5) -0.1721(3) 0.1705(3) 0.0270(8) Uani 1 1 d . . .
C36 C -0.3532(5) -0.2711(3) 0.1094(3) 0.0280(9) Uani 1 1 d . . .
C61 C 0.0329(4) 0.4545(3) 0.2636(2) 0.0222(8) Uani 1 1 d . . .
H61 H -0.0638 0.4120 0.2469 0.027 Uiso 1 1 calc R . .
C20 C -0.1936(4) 0.0855(3) 0.0899(2) 0.0219(8) Uani 1 1 d . . .
C22 C -0.4188(4) -0.0371(3) 0.0735(3) 0.0274(8) Uani 1 1 d . . .
H22 H -0.5005 -0.0567 0.0929 0.033 Uiso 1 1 calc R . .
C51 C 0.1913(5) 0.5041(3) 0.5194(2) 0.0257(8) Uani 1 1 d . . .
H51 H 0.1617 0.5484 0.5015 0.031 Uiso 1 1 calc R . .
C41 C -0.0987(4) 0.2417(3) 0.4786(2) 0.0257(8) Uani 1 1 d . . .
H41 H -0.1452 0.2726 0.4501 0.031 Uiso 1 1 calc R . .
C50 C 0.1792(4) 0.4127(3) 0.4582(2) 0.0218(8) Uani 1 1 d . . .
C44 C 0.0399(5) 0.1487(3) 0.5640(3) 0.0283(9) Uani 1 1 d . . .
H44 H 0.0870 0.1181 0.5926 0.034 Uiso 1 1 calc R . .
C46 C 0.0279(5) 0.2636(3) 0.7021(3) 0.0316(9) Uani 1 1 d . . .
C42 C -0.0719(5) 0.2756(3) 0.5668(3) 0.0272(8) Uani 1 1 d . . .
H42 H -0.0998 0.3291 0.5972 0.033 Uiso 1 1 calc R . .
C40 C -0.0567(4) 0.1616(3) 0.4317(2) 0.0249(8) Uani 1 1 d . . .
C43 C -0.0026(5) 0.2291(3) 0.6103(2) 0.0261(8) Uani 1 1 d . . .
C23 C -0.3986(5) -0.0996(3) -0.0018(3) 0.0286(9) Uani 1 1 d . . .
C1 C -0.0420(4) 0.2130(3) 0.2294(2) 0.0232(8) Uani 1 1 d . . .
C21 C -0.3163(4) 0.0544(3) 0.1192(2) 0.0250(8) Uani 1 1 d . . .
H21 H -0.3286 0.0959 0.1701 0.030 Uiso 1 1 calc R . .
P70 P 0.44280(17) 0.20500(10) 0.30597(8) 0.0459(3) Uani 1 1 d . . .
F72 F 0.4881(6) 0.1099(3) 0.2884(4) 0.124(2) Uani 1 1 d . . .
F74 F 0.3949(4) 0.3010(3) 0.3256(3) 0.0747(11) Uani 1 1 d . . .
F71 F 0.3483(4) 0.1762(2) 0.3661(2) 0.0650(9) Uani 1 1 d . . .
F73 F 0.5256(6) 0.2308(3) 0.2433(3) 0.1062(16) Uani 1 1 d . . .
F75 F 0.2807(5) 0.1489(3) 0.2316(3) 0.0937(13) Uani 1 1 d . . .
F76 F 0.5817(4) 0.2634(3) 0.3842(3) 0.0876(13) Uani 1 1 d . . .
O87A O 0.6051(7) 0.0835(4) 0.6668(4) 0.0553(18) Uani 0.643(8) 1 d P A 1
N86A N 0.7283(6) 0.0741(3) 0.7060(4) 0.0575(13) Uani 0.643(8) 1 d P A 1
N27 N -0.5816(5) -0.2749(3) -0.0763(3) 0.0401(9) Uani 1 1 d . . .
O88A O 0.8168(7) 0.0461(5) 0.6656(4) 0.066(2) Uani 0.643(8) 1 d P A 1
C85A C 0.7415(7) 0.0903(5) 0.7959(4) 0.0675(16) Uani 0.643(8) 1 d P A 1
H85A H 0.8433 0.1265 0.8297 0.101 Uiso 0.643(8) 1 calc PR A 1
H85B H 0.7146 0.0290 0.7994 0.101 Uiso 0.643(8) 1 calc PR A 1
H85C H 0.6750 0.1258 0.8173 0.101 Uiso 0.643(8) 1 calc PR A 1
O83 O 0.4119(4) 0.2000(3) 0.6056(3) 0.0561(10) Uani 1 1 d . . .
O82 O 0.3250(5) 0.0492(3) 0.5210(4) 0.0930(18) Uani 1 1 d . . .
C80 C 0.5443(7) 0.1384(5) 0.5068(4) 0.0615(15) Uani 1 1 d . . .
H80A H 0.5145 0.0903 0.4487 0.092 Uiso 1 1 calc R . .
H80B H 0.6278 0.1295 0.5395 0.092 Uiso 1 1 calc R . .
H80C H 0.5735 0.2018 0.5076 0.092 Uiso 1 1 calc R . .
N81 N 0.4240(4) 0.1291(3) 0.5428(3) 0.0518(12) Uani 1 1 d . . .
O87B O 0.8220(16) 0.0755(10) 0.8522(8) 0.073(4) Uani 0.357(8) 1 d P A 2
O88B O 0.6282(16) 0.1085(12) 0.8268(11) 0.092(5) Uani 0.357(8) 1 d P A 2
Ag1A Ag 0.4020(15) 0.535(3) -0.0688(6) 0.059(7) Uani 0.118(14) 1 d P . 2
C85B C 0.7283(6) 0.0741(3) 0.7060(4) 0.0575(13) Uani 0.357(8) 1 d P A 2
H85D H 0.6439 0.0919 0.6851 0.086 Uiso 0.178(4) 1 calc PR A 2
H85E H 0.7139 0.0069 0.6719 0.086 Uiso 0.178(4) 1 calc PR A 2
H85F H 0.8186 0.1129 0.7023 0.086 Uiso 0.178(4) 1 calc PR A 2
H85G H 0.8070 0.0493 0.6878 0.086 Uiso 0.178(4) 1 calc PR A 2
H85H H 0.7371 0.1342 0.7009 0.086 Uiso 0.178(4) 1 calc PR A 2
H85I H 0.6323 0.0282 0.6706 0.086 Uiso 0.178(4) 1 calc PR A 2
N86B N 0.7415(7) 0.0903(5) 0.7959(4) 0.0675(16) Uani 0.357(8) 1 d P A 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'
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'
P P 0.1023 0.0942 '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
N17 Ag1 N57 117.80(14) . 1_554
N17 Ag1 N37 102.04(15) . 1_665
N57 Ag1 N37 129.99(15) 1_554 1_665
N17 Ag1 N27 130.28(16) . 1_665
N57 Ag1 N27 88.29(15) 1_554 1_665
N37 Ag1 N27 87.85(15) 1_665 1_665
C16 N17 Ag1A 135.8(14) . .
C16 N17 Ag1 151.9(3) . .
Ag1A N17 Ag1 16.7(13) . .
C36 N37 Ag1 139.5(3) . 1_445
C36 N37 Ag1A 155.1(13) . 1_445
Ag1 N37 Ag1A 15.7(12) 1_445 1_445
C56 N57 Ag1A 164.8(7) . 1_556
C56 N57 Ag1 153.7(3) . 1_556
Ag1A N57 Ag1 16.4(13) 1_556 1_556
C15 C10 C11 119.0(3) . .
C15 C10 C4 120.6(3) . .
C11 C10 C4 120.4(3) . .
C51 C52 C53 119.1(4) . .
C51 C52 H52 120.4 . .
C53 C52 H52 120.4 . .
C15 C14 C13 119.7(4) . .
C15 C14 H14 120.1 . .
C13 C14 H14 120.1 . .
C5 C2 C3 150.6(4) . .
C5 C2 C1 149.3(4) . .
C3 C2 C1 59.9(3) . .
C12 C13 C14 120.5(4) . .
C12 C13 C16 119.0(4) . .
C14 C13 C16 120.4(4) . .
N17 C16 C13 178.1(4) . .
C65 C64 C63 120.5(4) . .
C65 C64 H64 119.8 . .
C63 C64 H64 119.8 . .
C6 C3 C2 150.2(4) . .
C6 C3 C1 149.6(4) . .
C2 C3 C1 60.1(3) . .
C65 C60 C61 118.3(3) . .
C65 C60 C6 120.2(3) . .
C61 C60 C6 121.4(3) . .
C64 C63 C62 120.3(3) . .
C64 C63 C66 118.5(4) . .
C62 C63 C66 121.2(3) . .
C31 C30 C35 119.2(4) . .
C31 C30 C5 120.0(4) . .
C35 C30 C5 120.8(4) . .
C31 C32 C33 119.3(4) . .
C31 C32 H32 120.3 . .
C33 C32 H32 120.3 . .
C32 C31 C30 120.7(4) . .
C32 C31 H31 119.7 . .
C30 C31 H31 119.7 . .
C14 C15 C10 120.3(4) . .
C14 C15 H15 119.8 . .
C10 C15 H15 119.8 . .
N57 C56 C53 179.1(5) . .
N67 C66 C63 177.1(5) . .
C3 C6 C60 119.9(3) . .
C3 C6 C50 120.2(3) . .
C60 C6 C50 119.9(3) . .
C64 C65 C60 120.4(4) . .
C64 C65 H65 119.8 . .
C60 C65 H65 119.8 . .
C54 C55 C50 120.8(4) . .
C54 C55 H55 119.6 . .
C50 C55 H55 119.6 . .
N27 C26 C23 176.2(5) . .
C2 C5 C40 120.6(3) . .
C2 C5 C30 120.4(3) . .
C40 C5 C30 119.0(3) . .
C1 C4 C20 118.7(3) . .
C1 C4 C10 120.9(3) . .
C20 C4 C10 120.4(3) . .
C24 C25 C20 120.3(4) . .
C24 C25 H25 119.9 . .
C20 C25 H25 119.9 . .
C44 C45 C40 120.8(4) . .
C44 C45 H45 119.6 . .
C40 C45 H45 119.6 . .
C11 C12 C13 119.0(4) . .
C11 C12 H12 120.5 . .
C13 C12 H12 120.5 . .
C52 C53 C54 120.4(3) . .
C52 C53 C56 120.1(3) . .
C54 C53 C56 119.5(4) . .
C34 C35 C30 120.8(4) . .
C34 C35 H35 119.6 . .
C30 C35 H35 119.6 . .
C55 C54 C53 119.7(4) . .
C55 C54 H54 120.2 . .
C53 C54 H54 120.2 . .
C12 C11 C10 121.2(4) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C61 C62 C63 118.9(3) . .
C61 C62 H62 120.6 . .
C63 C62 H62 120.6 . .
C23 C24 C25 119.2(4) . .
C23 C24 H24 120.4 . .
C25 C24 H24 120.4 . .
C35 C34 C33 119.3(4) . .
C35 C34 H34 120.3 . .
C33 C34 H34 120.3 . .
C32 C33 C34 120.6(4) . .
C32 C33 C36 119.8(4) . .
C34 C33 C36 119.5(4) . .
N37 C36 C33 176.6(4) . .
C62 C61 C60 121.5(4) . .
C62 C61 H61 119.2 . .
C60 C61 H61 119.2 . .
C25 C20 C21 119.0(3) . .
C25 C20 C4 121.4(3) . .
C21 C20 C4 119.5(3) . .
C21 C22 C23 119.4(4) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C52 C51 C50 121.2(4) . .
C52 C51 H51 119.4 . .
C50 C51 H51 119.4 . .
C42 C41 C40 121.0(4) . .
C42 C41 H41 119.5 . .
C40 C41 H41 119.5 . .
C51 C50 C55 118.7(3) . .
C51 C50 C6 121.7(3) . .
C55 C50 C6 119.6(3) . .
C45 C44 C43 119.9(4) . .
C45 C44 H44 120.0 . .
C43 C44 H44 120.0 . .
N47 C46 C43 179.2(4) . .
C41 C42 C43 120.0(4) . .
C41 C42 H42 120.0 . .
C43 C42 H42 120.0 . .
C41 C40 C45 118.6(3) . .
C41 C40 C5 120.3(3) . .
C45 C40 C5 121.1(4) . .
C42 C43 C44 119.6(4) . .
C42 C43 C46 121.0(4) . .
C44 C43 C46 119.3(3) . .
C22 C23 C24 121.1(4) . .
C22 C23 C26 118.7(4) . .
C24 C23 C26 120.3(4) . .
C4 C1 C3 150.6(4) . .
C4 C1 C2 149.4(4) . .
C3 C1 C2 59.9(3) . .
C22 C21 C20 120.9(4) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
F76 P70 F73 93.3(3) . .
F76 P70 F72 91.2(3) . .
F73 P70 F72 93.2(2) . .
F76 P70 F74 88.6(2) . .
F73 P70 F74 88.3(2) . .
F72 P70 F74 178.5(2) . .
F76 P70 F71 90.0(2) . .
F73 P70 F71 176.6(3) . .
F72 P70 F71 87.5(2) . .
F74 P70 F71 91.0(2) . .
F76 P70 F75 171.9(3) . .
F73 P70 F75 92.8(3) . .
F72 P70 F75 93.7(3) . .
F74 P70 F75 86.3(2) . .
F71 P70 F75 83.8(2) . .
O88A N86A O87A 120.1(6) . .
O88A N86A C85A 124.7(6) . .
O87A N86A C85A 114.9(5) . .
C26 N27 Ag1 141.4(4) . 1_445
N81 C80 H80A 109.5 . .
N81 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
N81 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
O82 N81 O83 114.4(5) . .
O82 N81 C80 123.1(5) . .
O83 N81 C80 122.3(4) . .
N17 Ag1A N57 122.9(4) . 1_554
N17 Ag1A N37 103.0(6) . 1_665
N57 Ag1A N37 131.0(7) 1_554 1_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N17 2.231(4) .
Ag1 N57 2.273(4) 1_554
Ag1 N37 2.330(4) 1_665
Ag1 N27 2.393(5) 1_665
N17 C16 1.145(5) .
N17 Ag1A 2.167(8) .
N37 C36 1.143(5) .
N37 Ag1 2.329(4) 1_445
N37 Ag1A 2.360(15) 1_445
N47 C46 1.156(5) .
N67 C66 1.149(5) .
N57 C56 1.137(5) .
N57 Ag1A 2.223(7) 1_556
N57 Ag1 2.273(4) 1_556
C10 C15 1.397(5) .
C10 C11 1.403(5) .
C10 C4 1.484(5) .
C52 C51 1.391(5) .
C52 C53 1.400(6) .
C52 H52 0.9300 .
C14 C15 1.386(6) .
C14 C13 1.406(6) .
C14 H14 0.9300 .
C2 C5 1.348(5) .
C2 C3 1.444(5) .
C2 C1 1.447(5) .
C13 C12 1.393(6) .
C13 C16 1.439(6) .
C64 C65 1.380(6) .
C64 C63 1.397(5) .
C64 H64 0.9300 .
C3 C6 1.356(5) .
C3 C1 1.444(5) .
C60 C65 1.408(5) .
C60 C61 1.411(5) .
C60 C6 1.479(5) .
C63 C62 1.402(6) .
C63 C66 1.448(6) .
C30 C31 1.396(6) .
C30 C35 1.401(6) .
C30 C5 1.486(5) .
C32 C31 1.394(6) .
C32 C33 1.395(6) .
C32 H32 0.9300 .
C31 H31 0.9300 .
C15 H15 0.9300 .
C56 C53 1.447(5) .
C6 C50 1.481(5) .
C65 H65 0.9300 .
C55 C54 1.381(5) .
C55 C50 1.405(5) .
C55 H55 0.9300 .
C26 N27 1.143(6) .
C26 C23 1.449(6) .
C5 C40 1.480(5) .
C4 C1 1.359(5) .
C4 C20 1.477(5) .
C25 C24 1.397(6) .
C25 C20 1.403(5) .
C25 H25 0.9300 .
C45 C44 1.384(6) .
C45 C40 1.408(5) .
C45 H45 0.9300 .
C12 C11 1.386(5) .
C12 H12 0.9300 .
C53 C54 1.401(5) .
C35 C34 1.386(6) .
C35 H35 0.9300 .
C54 H54 0.9300 .
C11 H11 0.9300 .
C62 C61 1.386(5) .
C62 H62 0.9300 .
C24 C23 1.396(6) .
C24 H24 0.9300 .
C34 C33 1.400(6) .
C34 H34 0.9300 .
C33 C36 1.443(6) .
C61 H61 0.9300 .
C20 C21 1.407(5) .
C22 C21 1.381(6) .
C22 C23 1.392(6) .
C22 H22 0.9300 .
C51 C50 1.398(5) .
C51 H51 0.9300 .
C41 C42 1.385(5) .
C41 C40 1.401(6) .
C41 H41 0.9300 .
C44 C43 1.404(6) .
C44 H44 0.9300 .
C46 C43 1.441(6) .
C42 C43 1.403(5) .
C42 H42 0.9300 .
C21 H21 0.9300 .
P70 F76 1.542(4) .
P70 F73 1.562(4) .
P70 F72 1.570(4) .
P70 F74 1.592(4) .
P70 F71 1.607(4) .
P70 F75 1.646(4) .
O87A N86A 1.314(8) .
N86A O88A 1.233(7) .
N86A C85A 1.470(8) .
N27 Ag1 2.393(5) 1_445
C85A H85A 0.9600 .
C85A H85B 0.9600 .
C85A H85C 0.9600 .
O83 N81 1.283(6) .
O82 N81 1.263(6) .
C80 N81 1.394(7) .
C80 H80A 0.9600 .
C80 H80B 0.9600 .
C80 H80C 0.9600 .
Ag1A N57 2.222(7) 1_554
Ag1A N37 2.360(15) 1_665
