#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:26:43 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179631 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/95/4509523.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_4509523
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 Cl N8 O8'
_chemical_formula_weight         1014.14
_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                112.192(15)
_cell_angle_beta                 99.282(16)
_cell_angle_gamma                102.291(11)
_cell_formula_units_Z            2
_cell_length_a                   9.249(2)
_cell_length_b                   15.369(4)
_cell_length_c                   17.205(6)
_cell_measurement_temperature    273(2)
_cell_volume                     2132.2(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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            40402
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    0.605
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.900917
_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    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'diamond-shaped plate'
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.501
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     665
_refine_ls_number_reflns         8360
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0924P)²+3.1808P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1449
_refine_ls_wR_factor_ref         0.1624
_reflns_number_gt                6533
_reflns_number_total             8360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg9002302sup1.cif
_cod_data_source_block           {[Ag(1)](ClO4)(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        2132.2(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509523
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 -0.4522(2) -0.6367(2) 0.42624(5) 0.0324(4) Uani 0.858(14) 1 d P . 1
Ag1A Ag -0.4751(12) -0.6011(19) 0.4261(3) 0.038(4) Uani 0.142(14) 1 d P . 2
C1 C 0.2636(4) 0.0163(3) 0.7211(2) 0.0197(7) Uani 1 1 d . . .
C2 C 0.2746(4) 0.0227(3) 0.8058(2) 0.0208(7) Uani 1 1 d . . .
C3 C 0.3393(4) 0.1096(3) 0.7965(2) 0.0201(7) Uani 1 1 d . . .
C4 C 0.2172(4) -0.0386(3) 0.6338(2) 0.0192(7) Uani 1 1 d . . .
C5 C 0.2440(4) -0.0190(2) 0.8583(2) 0.0189(7) Uani 1 1 d . . .
C6 C 0.4114(4) 0.2082(3) 0.8312(2) 0.0214(7) Uani 1 1 d . . .
C10 C 0.1113(4) -0.1411(3) 0.5936(2) 0.0199(7) Uani 1 1 d . . .
C11 C -0.0110(4) -0.1655(3) 0.6262(2) 0.0201(7) Uani 1 1 d . . .
H11 H -0.0323 -0.1165 0.6704 0.024 Uiso 1 1 calc R . .
C12 C -0.1023(4) -0.2626(3) 0.5932(2) 0.0214(7) Uani 1 1 d . . .
H12 H -0.1845 -0.2778 0.6155 0.026 Uiso 1 1 calc R . .
C13 C -0.0724(4) -0.3375(3) 0.5274(2) 0.0207(7) Uani 1 1 d . . .
C14 C 0.0437(4) -0.3144(3) 0.4920(2) 0.0224(7) Uani 1 1 d . . .
H14 H 0.0633 -0.3634 0.4468 0.027 Uiso 1 1 calc R . .
C15 C 0.1326(4) -0.2166(3) 0.5242(2) 0.0215(7) Uani 1 1 d . . .
H15 H 0.2090 -0.2011 0.4983 0.026 Uiso 1 1 calc R . .
C16 C -0.1573(4) -0.4399(3) 0.4966(2) 0.0237(8) Uani 1 1 d . . .
N17 N -0.2230(4) -0.5215(2) 0.4738(2) 0.0264(7) Uani 1 1 d . . .
C20 C 0.2773(4) 0.0040(2) 0.5794(2) 0.0197(7) Uani 1 1 d . . .
C21 C 0.1852(4) -0.0180(3) 0.4974(2) 0.0212(7) Uani 1 1 d . . .
H21 H 0.0876 -0.0631 0.4761 0.025 Uiso 1 1 calc R . .
C22 C 0.2398(4) 0.0272(3) 0.4494(2) 0.0236(8) Uani 1 1 d . . .
H22 H 0.1804 0.0142 0.3949 0.028 Uiso 1 1 calc R . .
C23 C 0.3890(4) 0.0944(3) 0.4840(2) 0.0236(8) Uani 1 1 d . . .
C24 C 0.4845(4) 0.1132(3) 0.5637(2) 0.0231(8) Uani 1 1 d . . .
H24 H 0.5840 0.1557 0.5837 0.028 Uiso 1 1 calc R . .
C25 C 0.4286(4) 0.0680(3) 0.6105(2) 0.0208(7) Uani 1 1 d . . .
H25 H 0.4899 0.0791 0.6638 0.025 Uiso 1 1 calc R . .
N27 N 0.5029(4) 0.1969(3) 0.4105(2) 0.0382(9) Uani 1 1 d . . .
C28 C 0.4484(5) 0.1476(3) 0.4390(3) 0.0295(9) Uani 1 1 d . . .
C30 C 0.4197(4) 0.2587(3) 0.7753(2) 0.0210(7) Uani 1 1 d . . .
C31 C 0.2937(4) 0.2315(3) 0.7038(2) 0.0234(8) Uani 1 1 d . . .
H31 H 0.2037 0.1838 0.6946 0.028 Uiso 1 1 calc R . .
C32 C 0.3037(4) 0.2748(3) 0.6487(2) 0.0235(8) Uani 1 1 d . . .
H32 H 0.2206 0.2586 0.6020 0.028 Uiso 1 1 calc R . .
C33 C 0.4424(4) 0.3445(3) 0.6638(2) 0.0231(8) Uani 1 1 d . . .
C34 C 0.5675(5) 0.3739(3) 0.7358(2) 0.0301(9) Uani 1 1 d . . .
H34 H 0.6576 0.4213 0.7448 0.036 Uiso 1 1 calc R . .
C35 C 0.5547(5) 0.3318(3) 0.7919(2) 0.0301(9) Uani 1 1 d . . .
H35 H 0.6351 0.3514 0.8409 0.036 Uiso 1 1 calc R . .
C36 C 0.4597(4) 0.3832(3) 0.6028(2) 0.0241(8) Uani 1 1 d . . .
N37 N 0.4757(4) 0.4104(3) 0.5521(2) 0.0290(7) Uani 1 1 d . . .
C40 C 0.4827(4) 0.2677(3) 0.9260(2) 0.0217(7) Uani 1 1 d . . .
C41 C 0.4586(4) 0.3582(3) 0.9699(2) 0.0238(8) Uani 1 1 d . . .
H41 H 0.4013 0.3831 0.9388 0.029 Uiso 1 1 calc R . .
C42 C 0.5188(5) 0.4116(3) 1.0593(2) 0.0267(8) Uani 1 1 d . . .
H42 H 0.4990 0.4709 1.0878 0.032 Uiso 1 1 calc R . .
C43 C 0.6077(4) 0.3770(3) 1.1059(2) 0.0253(8) Uani 1 1 d . . .
C44 C 0.6359(4) 0.2874(3) 1.0627(2) 0.0260(8) Uani 1 1 d . . .
H44 H 0.6967 0.2640 1.0937 0.031 Uiso 1 1 calc R . .
C45 C 0.5727(4) 0.2339(3) 0.9738(2) 0.0243(8) Uani 1 1 d . . .
H45 H 0.5910 0.1741 0.9454 0.029 Uiso 1 1 calc R . .
C46 C 0.6678(5) 0.4334(3) 1.1992(3) 0.0309(9) Uani 1 1 d . . .
N47 N 0.7137(5) 0.4794(3) 1.2727(2) 0.0427(10) Uani 1 1 d . . .
C50 C 0.2718(4) 0.0453(3) 0.9516(2) 0.0195(7) Uani 1 1 d . . .
C51 C 0.2423(4) 0.1360(3) 0.9768(2) 0.0228(8) Uani 1 1 d . . .
H51 H 0.2013 0.1540 0.9343 0.027 Uiso 1 1 calc R . .
C52 C 0.2726(4) 0.1991(3) 1.0632(2) 0.0240(8) Uani 1 1 d . . .
H52 H 0.2525 0.2594 1.0790 0.029 Uiso 1 1 calc R . .
C53 C 0.3330(4) 0.1722(3) 1.1262(2) 0.0228(8) Uani 1 1 d . . .
C54 C 0.3574(4) 0.0806(3) 1.1024(2) 0.0258(8) Uani 1 1 d . . .
H54 H 0.3948 0.0616 1.1450 0.031 Uiso 1 1 calc R . .
C55 C 0.3261(4) 0.0177(3) 1.0154(2) 0.0231(8) Uani 1 1 d . . .
H55 H 0.3419 -0.0438 0.9997 0.028 Uiso 1 1 calc R . .
C56 C 0.3706(4) 0.2398(3) 1.2165(2) 0.0256(8) Uani 1 1 d . . .
N57 N 0.4028(4) 0.2955(2) 1.2879(2) 0.0300(7) Uani 1 1 d . . .
C60 C 0.1785(4) -0.1275(3) 0.8228(2) 0.0187(7) Uani 1 1 d . . .
C61 C 0.0626(4) -0.1676(3) 0.8519(2) 0.0227(7) Uani 1 1 d . . .
H61 H 0.0306 -0.1266 0.8967 0.027 Uiso 1 1 calc R . .
C62 C -0.0069(4) -0.2690(3) 0.8147(2) 0.0244(8) Uani 1 1 d . . .
H62 H -0.0864 -0.2946 0.8343 0.029 Uiso 1 1 calc R . .
C63 C 0.0396(4) -0.3321(3) 0.7497(2) 0.0231(8) Uani 1 1 d . . .
C64 C 0.1592(4) -0.2939(3) 0.7226(2) 0.0214(7) Uani 1 1 d . . .
H64 H 0.1948 -0.3356 0.6802 0.026 Uiso 1 1 calc R . .
C65 C 0.2272(4) -0.1923(3) 0.7588(2) 0.0198(7) Uani 1 1 d . . .
H65 H 0.3074 -0.1671 0.7395 0.024 Uiso 1 1 calc R . .
C66 C -0.0418(5) -0.4376(3) 0.7101(3) 0.0287(8) Uani 1 1 d . . .
N67 N -0.1118(4) -0.5192(3) 0.6794(2) 0.0404(9) Uani 1 1 d . . .
Cl70 Cl 0.8256(7) 0.0984(3) 0.8028(3) 0.0460(10) Uani 0.542(10) 1 d P A 1
O71 O 0.7694(9) 0.1715(7) 0.7915(6) 0.075(3) Uani 0.542(10) 1 d P A 1
O72 O 0.8575(5) 0.1168(3) 0.8941(3) 0.0695(12) Uani 0.542(10) 1 d P A 1
O73 O 0.9695(6) 0.1144(5) 0.7842(4) 0.108(2) Uani 0.542(10) 1 d P A 1
O74 O 0.6987(10) 0.0257(8) 0.7558(5) 0.180(4) Uani 0.542(10) 1 d P A 1
Cl75 Cl 0.8563(9) 0.0723(7) 0.8131(5) 0.074(2) Uani 0.458(10) 1 d P A 2
O76 O 0.8606(14) -0.0191(6) 0.7839(8) 0.104(5) Uani 0.458(10) 1 d P A 2
O82 O 0.8121(6) 0.5827(3) 0.8888(3) 0.0861(15) Uani 1 1 d . . .
N81 N 0.8877(5) 0.5862(2) 0.9640(3) 0.0365(9) Uani 1 1 d . . .
C80 C 1.0286(10) 0.6375(6) 1.0026(5) 0.098(3) Uani 1 1 d . . .
H80A H 1.0719 0.6118 1.0405 0.147 Uiso 1 1 calc R . .
H80B H 1.0340 0.7048 1.0360 0.147 Uiso 1 1 calc R . .
H80C H 1.0851 0.6343 0.9599 0.147 Uiso 1 1 calc R . .
O83 O 0.7999(5) 0.5229(4) 0.9784(3) 0.0848(14) Uani 1 1 d . . .
C85A C 0.9254(7) 0.2865(5) 0.7179(5) 0.0813(19) Uani 0.496(8) 1 d P B 1
H85A H 0.9757 0.2734 0.6719 0.122 Uiso 0.496(8) 1 calc PR B 1
H85B H 0.8354 0.3040 0.7015 0.122 Uiso 0.496(8) 1 calc PR B 1
H85C H 0.8962 0.2288 0.7281 0.122 Uiso 0.496(8) 1 calc PR B 1
C85B C 1.0290(7) 0.3671(4) 0.7967(3) 0.0561(13) Uani 0.504(8) 1 d P B 2
H85D H 1.0672 0.3417 0.8362 0.084 Uiso 0.504(8) 1 calc PR B 2
H85E H 0.9751 0.4122 0.8235 0.084 Uiso 0.504(8) 1 calc PR B 2
H85F H 1.1134 0.4007 0.7825 0.084 Uiso 0.504(8) 1 calc PR B 2
N86A N 1.0290(7) 0.3671(4) 0.7967(3) 0.0561(13) Uani 0.496(8) 1 d P B 1
N86B N 0.9254(7) 0.2865(5) 0.7179(5) 0.0813(19) Uani 0.504(8) 1 d P B 2
O87A O 0.9518(9) 0.4245(6) 0.8356(5) 0.058(2) Uani 0.496(8) 1 d P B 1
O87B O 0.9284(13) 0.2339(7) 0.6597(5) 0.079(3) Uani 0.504(8) 1 d P B 2
O88A O 1.1489(9) 0.3708(8) 0.8325(6) 0.080(3) Uani 0.496(8) 1 d P B 1
O88B O 0.7979(11) 0.2636(11) 0.7482(8) 0.113(5) Uani 0.504(8) 1 d P B 2
O78 O 0.9695(6) 0.1144(5) 0.7842(4) 0.108(2) Uani 0.458(10) 1 d P A 2
O79 O 0.6987(10) 0.0257(8) 0.7558(5) 0.180(4) Uani 0.458(10) 1 d P A 2
O77 O 0.8575(5) 0.1168(3) 0.8941(3) 0.0695(12) Uani 0.458(10) 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'
Cl Cl 0.1484 0.1585 '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
N57 Ag1 N17 123.08(13) 1_444 .
N57 Ag1 N37 129.46(16) 1_444 1_445
N17 Ag1 N37 98.57(13) . 1_445
N57 Ag1 N27 85.52(15) 1_444 1_445
N17 Ag1 N27 126.4(2) . 1_445
N37 Ag1 N27 91.88(15) 1_445 1_445
N57 Ag1A N37 132.3(5) 1_444 1_445
N57 Ag1A N17 124.2(4) 1_444 .
N37 Ag1A N17 99.8(3) 1_445 .
N57 Ag1A Ag1A 134.5(14) 1_444 2_446
N37 Ag1A Ag1A 55.95(19) 1_445 2_446
N17 Ag1A Ag1A 87.3(5) . 2_446
C4 C1 C2 149.5(3) . .
C4 C1 C3 150.8(3) . .
C2 C1 C3 59.6(2) . .
C5 C2 C1 150.1(4) . .
C5 C2 C3 148.2(3) . .
C1 C2 C3 61.7(2) . .
C6 C3 C2 151.1(3) . .
C6 C3 C1 150.2(3) . .
C2 C3 C1 58.7(2) . .
C1 C4 C20 118.0(3) . .
C1 C4 C10 122.0(3) . .
C20 C4 C10 120.0(3) . .
C2 C5 C50 118.3(3) . .
C2 C5 C60 120.2(3) . .
C50 C5 C60 121.4(3) . .
C3 C6 C30 120.1(3) . .
C3 C6 C40 122.3(3) . .
C30 C6 C40 117.7(3) . .
C11 C10 C15 117.2(3) . .
C11 C10 C4 120.6(3) . .
C15 C10 C4 122.2(3) . .
C12 C11 C10 120.6(3) . .
C12 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
C11 C12 C13 120.9(3) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C14 C13 C12 119.4(3) . .
C14 C13 C16 118.4(3) . .
C12 C13 C16 122.2(3) . .
C13 C14 C15 119.3(3) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
C10 C15 C14 122.6(3) . .
C10 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
N17 C16 C13 178.4(4) . .
C16 N17 Ag1A 131.1(9) . .
C16 N17 Ag1 147.1(3) . .
Ag1A N17 Ag1 16.1(7) . .
C21 C20 C25 121.1(3) . .
C21 C20 C4 120.0(3) . .
C25 C20 C4 119.0(3) . .
C22 C21 C20 119.3(3) . .
C22 C21 H21 120.4 . .
C20 C21 H21 120.4 . .
C21 C22 C23 118.3(3) . .
C21 C22 H22 120.8 . .
C23 C22 H22 120.8 . .
C24 C23 C28 116.4(3) . .
C24 C23 C22 122.9(3) . .
C28 C23 C22 120.7(3) . .
C25 C24 C23 118.0(3) . .
C25 C24 H24 121.0 . .
C23 C24 H24 121.0 . .
C24 C25 C20 120.3(3) . .
C24 C25 H25 119.8 . .
C20 C25 H25 119.8 . .
C28 N27 Ag1 140.2(3) . 1_665
N27 C28 C23 173.6(5) . .
C35 C30 C31 121.2(3) . .
C35 C30 C6 119.1(3) . .
C31 C30 C6 119.7(3) . .
C32 C31 C30 120.0(3) . .
C32 C31 H31 120.0 . .
C30 C31 H31 120.0 . .
C31 C32 C33 118.1(3) . .
C31 C32 H32 120.9 . .
C33 C32 H32 120.9 . .
C32 C33 C36 118.9(3) . .
C32 C33 C34 122.4(3) . .
C36 C33 C34 118.7(3) . .
C35 C34 C33 118.9(4) . .
C35 C34 H34 120.6 . .
C33 C34 H34 120.6 . .
C34 C35 C30 119.3(4) . .
C34 C35 H35 120.3 . .
C30 C35 H35 120.3 . .
N37 C36 C33 176.6(4) . .
C36 N37 Ag1A 154.3(9) . 1_665
C36 N37 Ag1 138.6(3) . 1_665
Ag1A N37 Ag1 16.0(7) 1_665 1_665
C45 C40 C41 118.2(3) . .
C45 C40 C6 120.8(3) . .
C41 C40 C6 121.0(3) . .
C42 C41 C40 121.1(3) . .
C42 C41 H41 119.4 . .
C40 C41 H41 119.4 . .
C43 C42 C41 120.0(4) . .
C43 C42 H42 120.0 . .
C41 C42 H42 120.0 . .
C42 C43 C44 119.7(3) . .
C42 C43 C46 119.1(3) . .
C44 C43 C46 121.2(3) . .
C45 C44 C43 119.7(3) . .
C45 C44 H44 120.2 . .
C43 C44 H44 120.2 . .
C40 C45 C44 121.3(3) . .
C40 C45 H45 119.4 . .
C44 C45 H45 119.4 . .
N47 C46 C43 178.5(4) . .
C55 C50 C51 118.6(3) . .
C55 C50 C5 121.4(3) . .
C51 C50 C5 119.9(3) . .
C52 C51 C50 121.3(3) . .
C52 C51 H51 119.3 . .
C50 C51 H51 119.3 . .
C51 C52 C53 119.3(3) . .
C51 C52 H52 120.3 . .
C53 C52 H52 120.3 . .
C52 C53 C54 120.1(3) . .
C52 C53 C56 119.4(3) . .
C54 C53 C56 120.5(3) . .
C55 C54 C53 120.0(3) . .
C55 C54 H54 120.0 . .
C53 C54 H54 120.0 . .
C50 C55 C54 120.5(3) . .
C50 C55 H55 119.7 . .
C54 C55 H55 119.7 . .
N57 C56 C53 178.2(4) . .
C56 N57 Ag1A 165.2(6) . 1_666
C56 N57 Ag1 152.1(3) . 1_666
Ag1A N57 Ag1 16.1(7) 1_666 1_666
C61 C60 C65 117.4(3) . .
C61 C60 C5 120.2(3) . .
C65 C60 C5 122.4(3) . .
C60 C61 C62 120.6(3) . .
C60 C61 H61 119.7 . .
C62 C61 H61 119.7 . .
C63 C62 C61 121.3(3) . .
C63 C62 H62 119.3 . .
C61 C62 H62 119.3 . .
C64 C63 C62 118.9(3) . .
C64 C63 C66 121.9(3) . .
C62 C63 C66 119.2(3) . .
C63 C64 C65 119.7(3) . .
C63 C64 H64 120.1 . .
C65 C64 H64 120.1 . .
C64 C65 C60 122.0(3) . .
C64 C65 H65 119.0 . .
C60 C65 H65 119.0 . .
N67 C66 C63 176.8(4) . .
O74 Cl70 O71 95.5(7) . .
O74 Cl70 O73 128.1(7) . .
O71 Cl70 O73 103.9(5) . .
O74 Cl70 O72 111.7(5) . .
O71 Cl70 O72 109.7(5) . .
O73 Cl70 O72 106.1(4) . .
O83 N81 C80 130.6(5) . .
O83 N81 O82 106.1(4) . .
C80 N81 O82 122.8(5) . .
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 . .
H85D C85B H85E 109.5 . .
H85D C85B H85F 109.5 . .
H85E C85B H85F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N57 2.247(3) 1_444
Ag1 N17 2.247(3) .
Ag1 N37 2.268(3) 1_445
Ag1 N27 2.403(5) 1_445
Ag1A N57 2.229(7) 1_444
Ag1A N37 2.235(6) 1_445
Ag1A N17 2.240(6) .
Ag1A Ag1A 3.37(5) 2_446
C1 C4 1.354(5) .
C1 C2 1.408(5) .
C1 C3 1.451(5) .
C2 C5 1.323(5) .
C2 C3 1.421(5) .
C3 C6 1.362(5) .
C4 C20 1.446(5) .
C4 C10 1.490(5) .
C5 C50 1.477(5) .
C5 C60 1.483(5) .
C6 C30 1.448(5) .
C6 C40 1.484(5) .
C10 C11 1.385(5) .
C10 C15 1.391(5) .
C11 C12 1.390(5) .
C11 H11 0.9300 .
C12 C13 1.392(5) .
C12 H12 0.9300 .
C13 C14 1.364(5) .
C13 C16 1.444(5) .
C14 C15 1.393(5) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 N17 1.150(5) .
C20 C21 1.399(5) .
C20 C25 1.409(5) .
C21 C22 1.356(5) .
C21 H21 0.9300 .
C22 C23 1.410(5) .
C22 H22 0.9300 .
C23 C24 1.394(5) .
C23 C28 1.413(5) .
C24 C25 1.343(5) .
C24 H24 0.9300 .
C25 H25 0.9300 .
N27 C28 1.126(5) .
N27 Ag1 2.403(5) 1_665
C30 C35 1.395(5) .
C30 C31 1.410(5) .
C31 C32 1.352(5) .
C31 H31 0.9300 .
C32 C33 1.400(5) .
C32 H32 0.9300 .
C33 C36 1.402(5) .
C33 C34 1.403(5) .
C34 C35 1.357(5) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 N37 1.118(5) .
N37 Ag1A 2.235(6) 1_665
N37 Ag1 2.268(3) 1_665
C40 C45 1.387(5) .
C40 C41 1.395(5) .
C41 C42 1.387(5) .
C41 H41 0.9300 .
C42 C43 1.377(5) .
C42 H42 0.9300 .
C43 C44 1.400(5) .
C43 C46 1.447(5) .
C44 C45 1.385(5) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 N47 1.141(5) .
C50 C55 1.378(5) .
C50 C51 1.396(5) .
C51 C52 1.375(5) .
C51 H51 0.9300 .
C52 C53 1.379(5) .
C52 H52 0.9300 .
C53 C54 1.390(5) .
C53 C56 1.437(5) .
C54 C55 1.380(5) .
C54 H54 0.9300 .
C55 H55 0.9300 .
C56 N57 1.145(5) .
N57 Ag1A 2.229(7) 1_666
N57 Ag1 2.247(3) 1_666
C60 C61 1.380(5) .
C60 C65 1.389(5) .
C61 C62 1.392(5) .
C61 H61 0.9300 .
C62 C63 1.376(5) .
C62 H62 0.9300 .
C63 C64 1.372(5) .
C63 C66 1.463(5) .
C64 C65 1.394(5) .
C64 H64 0.9300 .
C65 H65 0.9300 .
C66 N67 1.147(5) .
Cl70 O74 1.316(10) .
Cl70 O71 1.397(9) .
Cl70 O73 1.412(7) .
Cl70 O72 1.454(6) .
Cl75 O76 1.314(13) .
O82 N81 1.343(6) .
N81 O83 1.257(5) .
N81 C80 1.284(9) .
C80 H80A 0.9600 .
C80 H80B 0.9600 .
C80 H80C 0.9600 .
C85A H85A 0.9600 .
C85A H85B 0.9600 .
C85A H85C 0.9600 .
C85B H85D 0.9600 .
C85B H85E 0.9600 .
C85B H85F 0.9600 .
