#------------------------------------------------------------------------------
#$Date: 2022-09-21 17:44:46 +0200 (Wed 21 de Sep de 2022) $
#$Revision: 278046 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/59/7005906.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_7005906
loop_
_publ_author_name
'Konstantin V. Domasevitch'
'Pavlo V. Solntsev'
'Il'ya A. Gural'skiy'
'Harald Krautscheid'
'Eduard B. Rusanov'
'Alexander N. Chernega'
'Judith A. K. Howard'
_publ_section_title
;
 Silver(I) ions bridged by pyridazine: doubling the ligand
 functionality for the design of unusual 3D coordination frameworks.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3893
_journal_page_last               3905
_journal_paper_doi               10.1039/b706731c
_journal_year                    2007
_chemical_formula_moiety         'C84 H42 Ag14 F42 N28 O28, 2(C H Cl3)'
_chemical_formula_sum            'C86 H44 Ag14 Cl6 F42 N28 O28'
_chemical_formula_weight         4438.37
_chemical_name_common
;
Silver(i) Trifluoroacetate 2:1 Complex with 4,4'-
Bipyridazine, Solvate with 2/7 Chloroform
;
_chemical_name_systematic
;
Silver(I) Trifluoroacetate 2:1 Complex with 4,4'-Bipyridazine,
Solvate with 2/7 Chloroform
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                107.0790(10)
_cell_angle_beta                 111.5920(10)
_cell_angle_gamma                94.2320(10)
_cell_formula_units_Z            1
_cell_length_a                   13.9023(2)
_cell_length_b                   14.4405(3)
_cell_length_c                   18.2666(2)
_cell_measurement_reflns_used    14474
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      4.19
_cell_volume                     3190.47(10)
_computing_cell_refinement       'SMART-NT (Bruker, 1998)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SMART-NT (Bruker, 1998)'
_computing_molecular_graphics    'Diamond 2.1e (Brandenburg, 1999)'
_computing_publication_material  'WinGX 1.700.00 (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Apex CCD area-detector diffractometer'
_diffrn_measurement_method       'ω 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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43985
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.19
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.362
_exptl_absorpt_correction_T_max  0.7039
_exptl_absorpt_correction_T_min  0.5780
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2118
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.931
_refine_diff_density_min         -2.247
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     973
_refine_ls_number_reflns         14474
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0317P)²+3.4341P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                11517
_reflns_number_total             14474
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b706731c.txt
_cod_data_source_block           (10)
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7005906
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 0.22634(2) 0.44372(2) 1.10576(2) 0.04861(8) Uani 1 1 d . . .
Ag2 Ag 0.34498(2) 0.319555(19) 1.003306(18) 0.04340(8) Uani 1 1 d . . .
Ag3 Ag 0.30923(2) 0.09424(2) 0.869145(18) 0.04329(8) Uani 1 1 d . . .
Ag4 Ag 0.21300(2) -0.039125(19) 0.672256(18) 0.04003(7) Uani 1 1 d . . .
Ag5 Ag 0.27046(2) -0.11909(2) 0.522490(18) 0.04124(7) Uani 1 1 d . . .
Ag6 Ag 0.31769(2) -0.318617(19) 0.421231(17) 0.03925(7) Uani 1 1 d . . .
Ag7 Ag 0.19522(3) -0.51689(2) 0.27896(2) 0.05784(10) Uani 1 1 d . . .
O1 O 0.1225(3) 0.2981(2) 1.0686(2) 0.0768(10) Uani 1 1 d . . .
O2 O 0.1312(4) 0.3135(2) 1.1959(2) 0.0888(13) Uani 1 1 d . . .
O3 O 0.1585(3) 0.4572(2) 0.9662(2) 0.0622(8) Uani 1 1 d . . .
O4 O 0.2572(3) 0.3842(2) 0.90435(19) 0.0560(8) Uani 1 1 d . . .
O5 O 0.4840(3) 0.2980(3) 0.9547(3) 0.0876(12) Uani 1 1 d . . .
O6 O 0.4804(2) 0.1411(2) 0.8873(2) 0.0623(8) Uani 1 1 d . . .
O7 O 0.3265(3) -0.0777(2) 0.8379(2) 0.0803(11) Uani 1 1 d . . .
O8 O 0.2421(2) -0.17659(19) 0.70498(18) 0.0503(7) Uani 1 1 d . . .
O9 O 0.0603(3) -0.1029(3) 0.5385(2) 0.0808(11) Uani 1 1 d . . .
O10 O 0.1015(2) -0.2101(2) 0.44658(19) 0.0585(8) Uani 1 1 d . . .
O11 O 0.3083(3) -0.0944(3) 0.4135(2) 0.0801(11) Uani 1 1 d . . .
O12 O 0.3456(3) -0.2284(2) 0.3415(2) 0.0588(8) Uani 1 1 d . . .
O13 O 0.4529(2) -0.39967(18) 0.40326(19) 0.0520(7) Uani 1 1 d . . .
O14 O 0.3642(2) -0.5539(2) 0.3213(2) 0.0595(8) Uani 1 1 d . . .
N1 N 0.3998(2) 0.5160(2) 1.16375(19) 0.0368(7) Uani 1 1 d . . .
N2 N 0.4496(2) 0.4681(2) 1.1172(2) 0.0423(7) Uani 1 1 d . . .
N3 N 0.3460(3) 0.1976(2) 1.05895(18) 0.0402(7) Uani 1 1 d . . .
N4 N 0.3429(3) 0.1070(2) 1.00735(19) 0.0478(8) Uani 1 1 d . . .
N5 N 0.1440(2) 0.1110(2) 0.79939(19) 0.0385(7) Uani 1 1 d . . .
N6 N 0.0994(2) 0.0467(2) 0.71982(19) 0.0386(7) Uani 1 1 d . . .
N7 N -0.1427(2) 0.3988(2) 0.7814(2) 0.0403(7) Uani 1 1 d . . .
N8 N -0.1436(3) 0.4243(2) 0.8584(2) 0.0444(8) Uani 1 1 d . . .
N9 N 0.6904(2) 0.91472(19) 1.34108(18) 0.0363(7) Uani 1 1 d . . .
N10 N 0.6817(2) 0.9428(2) 1.41504(19) 0.0380(7) Uani 1 1 d . . .
N11 N 0.5816(2) 0.1608(2) 1.39289(18) 0.0346(6) Uani 1 1 d . . .
N12 N 0.5415(2) 0.2222(2) 1.44033(18) 0.0376(7) Uani 1 1 d . . .
N13 N 0.1986(2) -0.3907(2) 0.45668(19) 0.0360(7) Uani 1 1 d . . .
N14 N 0.1201(3) -0.4647(2) 0.3956(2) 0.0470(8) Uani 1 1 d . . .
C1 C 0.4471(3) 0.6033(2) 1.2221(2) 0.0344(8) Uani 1 1 d . . .
H1A H 0.4111 0.6350 1.2529 0.041 Uiso 1 1 calc R . .
C2 C 0.5487(3) 0.6509(2) 1.2403(2) 0.0338(7) Uani 1 1 d . . .
C3 C 0.5981(3) 0.6032(3) 1.1922(3) 0.0449(9) Uani 1 1 d . . .
H3A H 0.6652 0.6313 1.2002 0.054 Uiso 1 1 calc R . .
C4 C 0.5443(3) 0.5112(3) 1.1310(3) 0.0505(11) Uani 1 1 d . . .
H4A H 0.5774 0.4784 1.0981 0.061 Uiso 1 1 calc R . .
C5 C 0.3756(3) 0.2129(2) 1.1394(2) 0.0376(8) Uani 1 1 d . . .
H5A H 0.3761 0.2749 1.1740 0.045 Uiso 1 1 calc R . .
C6 C 0.4064(3) 0.1414(2) 1.1762(2) 0.0353(8) Uani 1 1 d . . .
C7 C 0.4045(4) 0.0504(3) 1.1237(2) 0.0498(10) Uani 1 1 d . . .
H7A H 0.4252 -0.0002 1.1439 0.060 Uiso 1 1 calc R . .
C8 C 0.3703(4) 0.0375(3) 1.0389(2) 0.0564(12) Uani 1 1 d . . .
H8A H 0.3667 -0.0244 1.0023 0.068 Uiso 1 1 calc R . .
C9 C 0.0916(3) 0.1761(2) 0.8259(2) 0.0393(8) Uani 1 1 d . . .
H9A H 0.1227 0.2184 0.8815 0.047 Uiso 1 1 calc R . .
C10 C -0.0081(3) 0.1848(2) 0.7748(2) 0.0348(8) Uani 1 1 d . . .
C11 C -0.0533(3) 0.1182(3) 0.6946(2) 0.0422(9) Uani 1 1 d . . .
H11A H -0.1203 0.1187 0.6575 0.051 Uiso 1 1 calc R . .
C12 C 0.0038(3) 0.0500(3) 0.6703(2) 0.0443(9) Uani 1 1 d . . .
H12A H -0.0270 0.0040 0.6161 0.053 Uiso 1 1 calc R . .
C13 C -0.1023(3) 0.3215(2) 0.7565(2) 0.0375(8) Uani 1 1 d . . .
H13A H -0.1038 0.3030 0.7028 0.045 Uiso 1 1 calc R . .
C14 C -0.0577(3) 0.2662(2) 0.8064(2) 0.0359(8) Uani 1 1 d . . .
C15 C -0.0562(3) 0.2943(3) 0.8850(3) 0.0456(9) Uani 1 1 d . . .
H15A H -0.0259 0.2613 0.9219 0.055 Uiso 1 1 calc R . .
C16 C -0.1021(4) 0.3743(3) 0.9076(3) 0.0503(10) Uani 1 1 d . . .
H16A H -0.1034 0.3934 0.9604 0.060 Uiso 1 1 calc R . .
C17 C 0.6505(3) 0.8220(2) 1.2888(2) 0.0349(8) Uani 1 1 d . . .
H17A H 0.6587 0.8036 1.2385 0.042 Uiso 1 1 calc R . .
C18 C 0.5971(3) 0.7508(2) 1.3056(2) 0.0322(7) Uani 1 1 d . . .
C19 C 0.5889(3) 0.7794(2) 1.3811(2) 0.0382(8) Uani 1 1 d . . .
H19A H 0.5546 0.7355 1.3963 0.046 Uiso 1 1 calc R . .
C20 C 0.6342(3) 0.8775(2) 1.4343(2) 0.0411(9) Uani 1 1 d . . .
H20A H 0.6304 0.8976 1.4862 0.049 Uiso 1 1 calc R . .
C21 C 0.5348(3) 0.1336(2) 1.3106(2) 0.0326(7) Uani 1 1 d . . .
H21A H 0.5623 0.0896 1.2790 0.039 Uiso 1 1 calc R . .
C22 C 0.4463(3) 0.1670(2) 1.2679(2) 0.0315(7) Uani 1 1 d . . .
C23 C 0.4049(3) 0.2275(3) 1.3165(2) 0.0388(8) Uani 1 1 d . . .
H23A H 0.3449 0.2512 1.2925 0.047 Uiso 1 1 calc R . .
C24 C 0.4559(3) 0.2522(3) 1.4033(2) 0.0406(8) Uani 1 1 d . . .
H24A H 0.4276 0.2921 1.4368 0.049 Uiso 1 1 calc R . .
C25 C 0.1992(3) -0.3606(3) 0.5324(2) 0.0444(9) Uani 1 1 d . . .
H25A H 0.2538 -0.3096 0.5745 0.053 Uiso 1 1 calc R . .
C26 C 0.1232(3) -0.4009(3) 0.5528(2) 0.0458(9) Uani 1 1 d . . .
H26A H 0.1269 -0.3768 0.6072 0.055 Uiso 1 1 calc R . .
C27 C 0.0427(3) -0.4762(2) 0.4922(2) 0.0363(8) Uani 1 1 d . . .
C28 C 0.0468(3) -0.5048(3) 0.4132(3) 0.0505(10) Uani 1 1 d . . .
H28A H -0.0064 -0.5560 0.3698 0.061 Uiso 1 1 calc R . .
C29 C 0.1057(4) 0.2711(3) 1.1213(3) 0.0699(15) Uani 1 1 d D . .
C30 C 0.0441(6) 0.1626(3) 1.0847(4) 0.130(4) Uani 1 1 d D . .
C31 C 0.1943(3) 0.4377(2) 0.9132(2) 0.0384(8) Uani 1 1 d . . .
C32 C 0.1537(3) 0.4837(3) 0.8440(3) 0.0502(10) Uani 1 1 d . . .
C33 C 0.5215(3) 0.2297(3) 0.9270(3) 0.0449(9) Uani 1 1 d . . .
C34 C 0.6355(4) 0.2576(3) 0.9405(3) 0.0566(11) Uani 1 1 d . . .
C35 C 0.2884(3) -0.1571(2) 0.7818(3) 0.0415(9) Uani 1 1 d . . .
C36 C 0.3002(4) -0.2478(3) 0.8087(3) 0.0650(13) Uani 1 1 d D . .
C37 C 0.0410(3) -0.1751(3) 0.4772(2) 0.0418(9) Uani 1 1 d . . .
C38 C -0.0755(3) -0.2288(3) 0.4284(3) 0.0531(10) Uani 1 1 d . . .
C39 C 0.3362(3) -0.1420(3) 0.3606(2) 0.0387(8) Uani 1 1 d . . .
C40 C 0.3559(4) -0.0832(3) 0.3084(3) 0.0585(12) Uani 1 1 d . . .
C41 C 0.4438(3) -0.4882(3) 0.3654(2) 0.0409(8) Uani 1 1 d . . .
C42 C 0.5498(3) -0.5189(3) 0.3761(3) 0.0530(11) Uani 1 1 d . . .
C43 C 0.8692(4) -0.2321(4) 0.6635(4) 0.0734(14) Uani 1 1 d . . .
H43A H 0.8724 -0.2477 0.7129 0.088 Uiso 1 1 calc R . .
Cl1 Cl 0.78354(13) -0.32858(14) 0.57498(14) 0.1119(6) Uani 1 1 d . . .
Cl2 Cl 0.99716(12) -0.21580(12) 0.66698(12) 0.0907(5) Uani 1 1 d . . .
Cl3 Cl 0.82153(16) -0.12350(13) 0.66696(17) 0.1248(8) Uani 1 1 d . . .
F1 F -0.0099(12) 0.1466(8) 1.1268(8) 0.173(7) Uani 0.60 1 d PD . .
F2 F 0.1145(9) 0.1030(7) 1.0916(15) 0.199(6) Uani 0.60 1 d PD . .
F3 F -0.0218(14) 0.1344(12) 1.0058(6) 0.184(9) Uani 0.60 1 d PD . .
F1A F 0.059(3) 0.1135(12) 1.0181(15) 0.232(16) Uani 0.40 1 d PD . .
F2A F 0.068(3) 0.1167(13) 1.1378(9) 0.30(3) Uani 0.40 1 d PD . .
F3A F -0.0561(9) 0.1703(14) 1.061(3) 0.303(19) Uani 0.40 1 d PD . .
F4 F 0.0915(3) 0.5450(3) 0.8559(2) 0.0960(11) Uani 1 1 d . . .
F5 F 0.0981(3) 0.4129(2) 0.76946(18) 0.0864(9) Uani 1 1 d . . .
F6 F 0.2313(2) 0.5308(2) 0.8351(2) 0.0755(8) Uani 1 1 d . . .
F7 F 0.6852(4) 0.3398(3) 0.9980(4) 0.181(3) Uani 1 1 d . . .
F8 F 0.6916(2) 0.1935(3) 0.9571(3) 0.1182(15) Uani 1 1 d . . .
F9 F 0.6414(3) 0.2676(4) 0.8736(3) 0.1288(16) Uani 1 1 d . . .
F10 F 0.3825(8) -0.2343(8) 0.8742(6) 0.102(3) Uani 0.60 1 d P . .
F11 F 0.2225(8) -0.2730(12) 0.8260(13) 0.135(4) Uani 0.60 1 d P . .
F12 F 0.3041(18) -0.3257(8) 0.7541(6) 0.139(6) Uani 0.60 1 d P . .
F10A F 0.2102(9) -0.3135(10) 0.7685(11) 0.104(6) Uani 0.40 1 d PD . .
F11A F 0.331(2) -0.2282(14) 0.8894(5) 0.186(14) Uani 0.40 1 d PD . .
F12A F 0.3711(18) -0.2886(14) 0.785(2) 0.186(14) Uani 0.40 1 d PD . .
F13 F -0.1383(2) -0.1857(3) 0.4606(2) 0.1035(12) Uani 1 1 d . . .
F14 F -0.0885(3) -0.3203(2) 0.4271(3) 0.1064(13) Uani 1 1 d . . .
F15 F -0.1144(2) -0.2329(3) 0.34932(18) 0.0855(9) Uani 1 1 d . . .
F16 F 0.3789(5) 0.0125(3) 0.3492(4) 0.161(2) Uani 1 1 d . . .
F17 F 0.4322(3) -0.1005(3) 0.2857(2) 0.0910(11) Uani 1 1 d . . .
F18 F 0.2698(3) -0.0955(4) 0.2422(3) 0.1347(18) Uani 1 1 d . . .
F19 F 0.6227(2) -0.4487(2) 0.3829(2) 0.0743(8) Uani 1 1 d . . .
F20 F 0.5422(3) -0.5974(2) 0.3141(3) 0.1101(14) Uani 1 1 d . . .
F21 F 0.5891(3) -0.5417(3) 0.4447(3) 0.1065(13) 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'
Cl Cl 0.1484 0.1585 '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'
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
O1 Ag1 N1 140.34(13) . . ?
O1 Ag1 N8 111.55(14) . 2_567 ?
N1 Ag1 N8 103.79(11) . 2_567 ?
O1 Ag1 O3 95.99(13) . . ?
N1 Ag1 O3 104.49(11) . . ?
N8 Ag1 O3 85.25(11) 2_567 . ?
O1 Ag1 Ag2 84.91(11) . . ?
N1 Ag1 Ag2 70.04(7) . . ?
N8 Ag1 Ag2 153.64(9) 2_567 . ?
O3 Ag1 Ag2 72.24(7) . . ?
O1 Ag1 Ag7 82.72(10) . 1_566 ?
N1 Ag1 Ag7 97.45(8) . 1_566 ?
N8 Ag1 Ag7 64.15(9) 2_567 1_566 ?
O3 Ag1 Ag7 145.92(7) . 1_566 ?
Ag2 Ag1 Ag7 140.865(14) . 1_566 ?
O4 Ag2 N3 148.43(12) . . ?
O4 Ag2 N2 100.24(12) . . ?
N3 Ag2 N2 106.81(11) . . ?
O4 Ag2 O5 92.52(13) . . ?
N3 Ag2 O5 102.21(12) . . ?
N2 Ag2 O5 92.28(13) . . ?
O4 Ag2 Ag1 83.96(7) . . ?
N3 Ag2 Ag1 93.60(8) . . ?
N2 Ag2 Ag1 63.63(8) . . ?
O5 Ag2 Ag1 154.38(10) . . ?
O4 Ag2 Ag3 95.69(8) . . ?
N3 Ag2 Ag3 66.00(7) . . ?
N2 Ag2 Ag3 154.03(8) . . ?
O5 Ag2 Ag3 66.51(10) . . ?
Ag1 Ag2 Ag3 139.044(13) . . ?
N5 Ag3 O6 141.14(12) . . ?
N5 Ag3 N4 112.09(12) . . ?
O6 Ag3 N4 98.21(13) . . ?
N5 Ag3 O7 112.66(12) . . ?
O6 Ag3 O7 90.49(13) . . ?
N4 Ag3 O7 89.59(11) . . ?
N5 Ag3 Ag4 67.75(7) . . ?
O6 Ag3 Ag4 98.21(8) . . ?
N4 Ag3 Ag4 149.18(8) . . ?
O7 Ag3 Ag4 64.38(8) . . ?
N5 Ag3 Ag2 86.84(7) . . ?
O6 Ag3 Ag2 85.55(8) . . ?
N4 Ag3 Ag2 63.43(7) . . ?
O7 Ag3 Ag2 151.74(8) . . ?
Ag4 Ag3 Ag2 143.880(12) . . ?
O8 Ag4 N9 136.43(11) . 2_667 ?
O8 Ag4 N6 116.37(11) . . ?
N9 Ag4 N6 100.35(11) 2_667 . ?
O8 Ag4 O9 102.71(12) . . ?
N9 Ag4 O9 103.51(13) 2_667 . ?
N6 Ag4 O9 84.35(11) . . ?
O8 Ag4 Ag5 90.25(7) . . ?
N9 Ag4 Ag5 69.42(7) 2_667 . ?
N6 Ag4 Ag5 144.79(8) . . ?
O9 Ag4 Ag5 66.69(9) . . ?
O8 Ag4 Ag3 90.51(7) . . ?
N9 Ag4 Ag3 85.38(7) 2_667 . ?
N6 Ag4 Ag3 63.53(7) . . ?
O9 Ag4 Ag3 147.81(8) . . ?
Ag5 Ag4 Ag3 143.458(13) . . ?
O10 Ag5 N11 129.13(11) . 2_657 ?
O10 Ag5 O11 99.70(14) . . ?
N11 Ag5 O11 106.49(13) 2_657 . ?
O10 Ag5 N10 125.56(11) . 2_667 ?
N11 Ag5 N10 99.93(10) 2_657 2_667 ?
O11 Ag5 N10 84.84(12) . 2_667 ?
O10 Ag5 Ag4 88.59(8) . . ?
N11 Ag5 Ag4 89.82(7) 2_657 . ?
O11 Ag5 Ag4 149.70(9) . . ?
N10 Ag5 Ag4 66.99(8) 2_667 . ?
O10 Ag5 Ag6 80.37(7) . . ?
N11 Ag5 Ag6 68.59(7) 2_657 . ?
O11 Ag5 Ag6 71.01(9) . . ?
N10 Ag5 Ag6 147.91(8) 2_667 . ?
Ag4 Ag5 Ag6 139.294(13) . . ?
N13 Ag6 O12 146.65(11) . . ?
N13 Ag6 O13 119.36(10) . . ?
O12 Ag6 O13 87.75(11) . . ?
N13 Ag6 N12 101.85(11) . 2_657 ?
O12 Ag6 N12 100.27(11) . 2_657 ?
O13 Ag6 N12 83.22(10) . 2_657 ?
N13 Ag6 Ag7 71.65(7) . . ?
O12 Ag6 Ag7 99.07(7) . . ?
O13 Ag6 Ag7 76.67(7) . . ?
N12 Ag6 Ag7 151.39(7) 2_657 . ?
N13 Ag6 Ag5 82.97(7) . . ?
O12 Ag6 Ag5 84.66(7) . . ?
O13 Ag6 Ag5 144.28(7) . . ?
N12 Ag6 Ag5 64.03(7) 2_657 . ?
Ag7 Ag6 Ag5 139.007(13) . . ?
N7 Ag7 O14 126.22(11) 2_556 . ?
N7 Ag7 O2 119.30(12) 2_556 1_544 ?
O14 Ag7 O2 86.74(14) . 1_544 ?
N7 Ag7 Ag6 75.96(8) 2_556 . ?
O14 Ag7 Ag6 81.42(7) . . ?
O2 Ag7 Ag6 164.54(10) 1_544 . ?
N7 Ag7 Ag1 67.74(8) 2_556 1_544 ?
O14 Ag7 Ag1 80.67(9) . 1_544 ?
O2 Ag7 Ag1 70.80(10) 1_544 1_544 ?
Ag6 Ag7 Ag1 116.578(14) . 1_544 ?
C29 O1 Ag1 120.7(3) . . ?
C29 O2 Ag7 130.7(3) . 1_566 ?
C31 O3 Ag1 129.5(3) . . ?
C31 O4 Ag2 122.0(3) . . ?
C33 O5 Ag2 137.0(3) . . ?
C33 O6 Ag3 115.9(3) . . ?
C35 O7 Ag3 140.4(3) . . ?
C35 O8 Ag4 111.9(2) . . ?
C37 O9 Ag4 130.7(3) . . ?
C37 O10 Ag5 111.1(2) . . ?
C39 O11 Ag5 136.4(3) . . ?
C39 O12 Ag6 117.7(3) . . ?
C41 O13 Ag6 127.1(3) . . ?
C41 O14 Ag7 121.3(2) . . ?
C1 N1 N2 119.8(3) . . ?
C1 N1 Ag1 128.0(2) . . ?
N2 N1 Ag1 110.6(2) . . ?
C4 N2 N1 118.8(3) . . ?
C4 N2 Ag2 125.3(2) . . ?
N1 N2 Ag2 115.4(2) . . ?
C5 N3 N4 118.8(3) . . ?
C5 N3 Ag2 124.6(2) . . ?
N4 N3 Ag2 114.2(2) . . ?
C8 N4 N3 119.4(3) . . ?
C8 N4 Ag3 124.5(3) . . ?
N3 N4 Ag3 115.6(2) . . ?
C9 N5 N6 119.6(3) . . ?
C9 N5 Ag3 128.3(2) . . ?
N6 N5 Ag3 112.1(2) . . ?
C12 N6 N5 119.0(3) . . ?
C12 N6 Ag4 123.9(2) . . ?
N5 N6 Ag4 115.7(2) . . ?
C13 N7 N8 118.6(3) . . ?
C13 N7 Ag7 130.2(3) . 2_556 ?
N8 N7 Ag7 110.7(2) . 2_556 ?
C16 N8 N7 119.8(3) . . ?
C16 N8 Ag1 123.9(3) . 2_567 ?
N7 N8 Ag1 116.3(2) . 2_567 ?
C17 N9 N10 119.6(3) . . ?
C17 N9 Ag4 128.3(2) . 2_667 ?
N10 N9 Ag4 111.97(19) . 2_667 ?
C20 N10 N9 119.2(3) . . ?
C20 N10 Ag5 130.2(2) . 2_667 ?
N9 N10 Ag5 109.4(2) . 2_667 ?
C21 N11 N12 119.4(3) . . ?
C21 N11 Ag5 130.3(2) . 2_657 ?
N12 N11 Ag5 110.3(2) . 2_657 ?
C24 N12 N11 119.2(3) . . ?
C24 N12 Ag6 124.5(2) . 2_657 ?
N11 N12 Ag6 110.2(2) . 2_657 ?
C25 N13 N14 118.5(3) . . ?
C25 N13 Ag6 123.7(2) . . ?
N14 N13 Ag6 117.7(2) . . ?
C28 N14 N13 119.2(3) . . ?
N1 C1 C2 123.4(3) . . ?
C3 C2 C1 116.6(3) . . ?
C3 C2 C18 122.3(3) . . ?
C1 C2 C18 121.0(3) . . ?
C2 C3 C4 117.7(4) . . ?
N2 C4 C3 123.7(3) . . ?
N3 C5 C6 124.0(3) . . ?
C7 C6 C5 116.8(3) . . ?
C7 C6 C22 122.6(3) . . ?
C5 C6 C22 120.4(3) . . ?
C6 C7 C8 116.9(3) . . ?
N4 C8 C7 124.1(3) . . ?
N5 C9 C10 123.4(3) . . ?
C11 C10 C9 116.5(3) . . ?
C11 C10 C14 123.0(3) . . ?
C9 C10 C14 120.4(3) . . ?
C10 C11 C12 117.9(3) . . ?
N6 C12 C11 123.6(3) . . ?
N7 C13 C14 123.6(4) . . ?
C15 C14 C13 117.4(3) . . ?
C15 C14 C10 123.1(3) . . ?
C13 C14 C10 119.4(3) . . ?
C14 C15 C16 117.0(4) . . ?
N8 C16 C15 123.6(4) . . ?
N9 C17 C18 123.3(3) . . ?
C19 C18 C17 117.0(3) . . ?
C19 C18 C2 123.9(3) . . ?
C17 C18 C2 119.1(3) . . ?
C18 C19 C20 117.2(3) . . ?
N10 C20 C19 123.7(3) . . ?
N11 C21 C22 123.8(3) . . ?
C23 C22 C21 116.3(3) . . ?
C23 C22 C6 123.6(3) . . ?
C21 C22 C6 120.0(3) . . ?
C22 C23 C24 117.6(3) . . ?
N12 C24 C23 123.6(3) . . ?
N13 C25 C26 123.7(3) . . ?
C27 C26 C25 119.2(4) . . ?
C26 C27 C28 114.3(3) . . ?
C26 C27 C27 123.3(4) . 2_546 ?
C28 C27 C27 122.5(4) . 2_546 ?
N14 C28 C27 125.1(3) . . ?
O2 C29 O1 131.4(4) . . ?
O2 C29 C30 116.0(5) . . ?
O1 C29 C30 112.5(5) . . ?
F2A C30 F3 132.0(13) . . ?
F2A C30 F1 53.4(16) . . ?
F3 C30 F1 107.3(7) . . ?
F2A C30 F1A 109.8(9) . . ?
F3 C30 F1A 51.7(11) . . ?
F1 C30 F1A 138.0(10) . . ?
F2A C30 F3A 110.4(9) . . ?
F3 C30 F3A 57.3(14) . . ?
F1 C30 F3A 59.1(16) . . ?
F1A C30 F3A 108.5(8) . . ?
F2A C30 F2 55.1(13) . . ?
F3 C30 F2 108.0(7) . . ?
F1 C30 F2 106.8(7) . . ?
F1A C30 F2 60.5(11) . . ?
F3A C30 F2 147.6(11) . . ?
F2A C30 C29 113.8(12) . . ?
F3 C30 C29 114.3(7) . . ?
F1 C30 C29 111.9(6) . . ?
F1A C30 C29 110.0(9) . . ?
F3A C30 C29 104.1(10) . . ?
F2 C30 C29 108.3(7) . . ?
O3 C31 O4 130.0(4) . . ?
O3 C31 C32 116.4(4) . . ?
O4 C31 C32 113.5(3) . . ?
F4 C32 F6 108.0(4) . . ?
F4 C32 F5 106.6(4) . . ?
F6 C32 F5 105.4(4) . . ?
F4 C32 C31 113.6(4) . . ?
F6 C32 C31 112.5(3) . . ?
F5 C32 C31 110.3(3) . . ?
O5 C33 O6 130.2(4) . . ?
O5 C33 C34 115.2(4) . . ?
O6 C33 C34 114.6(3) . . ?
F7 C34 F8 106.5(5) . . ?
F7 C34 F9 104.3(5) . . ?
F8 C34 F9 105.4(5) . . ?
F7 C34 C33 114.3(4) . . ?
F8 C34 C33 114.5(4) . . ?
F9 C34 C33 111.0(4) . . ?
O7 C35 O8 129.9(4) . . ?
O7 C35 C36 115.7(4) . . ?
O8 C35 C36 114.4(3) . . ?
F10 C36 F12 104.5(9) . . ?
F10 C36 F11 105.3(8) . . ?
F12 C36 F11 106.0(9) . . ?
F10 C36 F11A 39.0(11) . . ?
F12 C36 F11A 128.0(12) . . ?
F11 C36 F11A 69.0(9) . . ?
F10 C36 F10A 134.0(8) . . ?
F12 C36 F10A 66.9(8) . . ?
F11 C36 F10A 44.2(7) . . ?
F11A C36 F10A 109.0(8) . . ?
F10 C36 F12A 72.2(12) . . ?
F12 C36 F12A 41.0(8) . . ?
F11 C36 F12A 138.9(9) . . ?
F11A C36 F12A 108.9(8) . . ?
F10A C36 F12A 107.4(7) . . ?
F10 C36 C35 113.9(6) . . ?
F12 C36 C35 115.3(6) . . ?
F11 C36 C35 111.0(6) . . ?
F11A C36 C35 114.3(9) . . ?
F10A C36 C35 110.0(6) . . ?
F12A C36 C35 107.0(8) . . ?
O9 C37 O10 128.9(4) . . ?
O9 C37 C38 116.1(4) . . ?
O10 C37 C38 114.9(4) . . ?
F14 C38 F13 106.4(4) . . ?
F14 C38 F15 106.9(4) . . ?
F13 C38 F15 105.5(4) . . ?
F14 C38 C37 111.7(4) . . ?
F13 C38 C37 113.0(4) . . ?
F15 C38 C37 112.9(4) . . ?
O11 C39 O12 130.0(4) . . ?
O11 C39 C40 112.7(4) . . ?
O12 C39 C40 117.2(4) . . ?
F17 C40 F18 109.2(5) . . ?
F17 C40 F16 105.0(4) . . ?
F18 C40 F16 103.6(5) . . ?
F17 C40 C39 115.8(4) . . ?
F18 C40 C39 110.7(4) . . ?
F16 C40 C39 111.7(4) . . ?
O14 C41 O13 130.3(4) . . ?
O14 C41 C42 116.4(3) . . ?
O13 C41 C42 113.3(3) . . ?
F20 C42 F21 105.9(4) . . ?
F20 C42 F19 106.6(4) . . ?
F21 C42 F19 106.5(4) . . ?
F20 C42 C41 113.0(4) . . ?
F21 C42 C41 110.7(4) . . ?
F19 C42 C41 113.6(3) . . ?
Cl1 C43 Cl3 109.9(3) . . ?
Cl1 C43 Cl2 111.7(3) . . ?
Cl3 C43 Cl2 110.3(3) . . ?
F2A F1 F3A 121.0(11) . . ?
F2A F1 C30 62.5(9) . . ?
F3A F1 C30 61.0(9) . . ?
F2A F2 F1A 112.3(12) . . ?
F2A F2 C30 60.1(8) . . ?
F1A F2 C30 58.4(7) . . ?
F1A F3 F3A 125.7(11) . . ?
F1A F3 C30 64.4(7) . . ?
F3A F3 C30 62.0(9) . . ?
F3 F1A C30 64.0(8) . . ?
F3 F1A F2 119.7(11) . . ?
C30 F1A F2 61.0(7) . . ?
F1 F2A F2 126.4(12) . . ?
F1 F2A C30 64.1(10) . . ?
F2 F2A C30 64.8(8) . . ?
F3 F3A F1 110.8(12) . . ?
F3 F3A C30 60.7(8) . . ?
F1 F3A C30 60.0(10) . . ?
F11A F10 C36 73.1(11) . . ?
F11A F10 F12A 125.1(13) . . ?
C36 F10 F12A 55.7(7) . . ?
F10A F11 C36 69.6(8) . . ?
F10A F11 F11A 120.1(14) . . ?
C36 F11 F11A 56.1(7) . . ?
F12A F12 C36 71.8(9) . . ?
F12A F12 F10A 128.7(12) . . ?
C36 F12 F10A 57.7(6) . . ?
F11 F10A C36 66.2(8) . . ?
F11 F10A F12 115.1(11) . . ?
C36 F10A F12 55.4(5) . . ?
F10 F11A C36 67.8(9) . . ?
F10 F11A F11 118.7(13) . . ?
C36 F11A F11 54.9(5) . . ?
F12 F12A C36 67.2(8) . . ?
F12 F12A F10 108.9(14) . . ?
C36 F12A F10 52.1(7) . . ?
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
Ag1 O1 2.227(3) . ?
Ag1 N1 2.264(3) . ?
Ag1 N8 2.351(3) 2_567 ?
Ag1 O3 2.444(3) . ?
Ag1 Ag2 3.1899(4) . ?
Ag1 Ag7 3.2415(5) 1_566 ?
Ag2 O4 2.273(3) . ?
Ag2 N3 2.276(3) . ?
Ag2 N2 2.395(3) . ?
Ag2 O5 2.410(4) . ?
Ag2 Ag3 3.3197(4) . ?
Ag3 N5 2.251(3) . ?
Ag3 O6 2.297(3) . ?
Ag3 N4 2.339(3) . ?
Ag3 O7 2.430(3) . ?
Ag3 Ag4 3.2317(4) . ?
Ag4 O8 2.258(3) . ?
Ag4 N9 2.287(3) 2_667 ?
Ag4 N6 2.335(3) . ?
Ag4 O9 2.429(3) . ?
Ag4 Ag5 3.0570(4) . ?
Ag5 O10 2.291(3) . ?
Ag5 N11 2.318(3) 2_657 ?
Ag5 O11 2.351(3) . ?
Ag5 N10 2.390(3) 2_667 ?
Ag5 Ag6 3.1932(4) . ?
Ag6 N13 2.275(3) . ?
Ag6 O12 2.330(3) . ?
Ag6 O13 2.359(3) . ?
Ag6 N12 2.460(3) 2_657 ?
Ag6 Ag7 3.0828(4) . ?
Ag7 N7 2.313(3) 2_556 ?
Ag7 O14 2.343(3) . ?
Ag7 O2 2.366(3) 1_544 ?
Ag7 Ag1 3.2415(5) 1_544 ?
O1 C29 1.226(6) . ?
O2 C29 1.218(6) . ?
O2 Ag7 2.366(3) 1_566 ?
O3 C31 1.216(5) . ?
O4 C31 1.232(4) . ?
O5 C33 1.215(5) . ?
O6 C33 1.238(5) . ?
O7 C35 1.210(4) . ?
O8 C35 1.240(5) . ?
O9 C37 1.209(5) . ?
O10 C37 1.233(5) . ?
O11 C39 1.218(5) . ?
O12 C39 1.224(4) . ?
O13 C41 1.234(4) . ?
O14 C41 1.230(5) . ?
N1 C1 1.316(4) . ?
N1 N2 1.357(4) . ?
N2 C4 1.314(5) . ?
N3 C5 1.315(5) . ?
N3 N4 1.356(4) . ?
N4 C8 1.312(5) . ?
N5 C9 1.320(4) . ?
N5 N6 1.348(4) . ?
N6 C12 1.318(5) . ?
N7 C13 1.323(4) . ?
N7 N8 1.352(4) . ?
N7 Ag7 2.313(3) 2_556 ?
N8 C16 1.312(5) . ?
N8 Ag1 2.351(3) 2_567 ?
N9 C17 1.328(4) . ?
N9 N10 1.346(4) . ?
N9 Ag4 2.287(3) 2_667 ?
N10 C20 1.312(5) . ?
N10 Ag5 2.390(3) 2_667 ?
N11 C21 1.316(4) . ?
N11 N12 1.350(4) . ?
N11 Ag5 2.318(3) 2_657 ?
N12 C24 1.311(5) . ?
N12 Ag6 2.460(3) 2_657 ?
N13 C25 1.319(5) . ?
N13 N14 1.345(4) . ?
N14 C28 1.321(5) . ?
C1 C2 1.399(5) . ?
C2 C3 1.369(5) . ?
C2 C18 1.486(4) . ?
C3 C4 1.394(5) . ?
C5 C6 1.400(5) . ?
C6 C7 1.372(5) . ?
C6 C22 1.474(5) . ?
C7 C8 1.391(6) . ?
C9 C10 1.397(5) . ?
C10 C11 1.369(5) . ?
C10 C14 1.484(5) . ?
C11 C12 1.382(5) . ?
C13 C14 1.391(5) . ?
C14 C15 1.366(5) . ?
C15 C16 1.391(5) . ?
C17 C18 1.394(5) . ?
C18 C19 1.369(5) . ?
C19 C20 1.399(5) . ?
C21 C22 1.400(5) . ?
C22 C23 1.370(5) . ?
C23 C24 1.396(5) . ?
C25 C26 1.386(5) . ?
C26 C27 1.364(5) . ?
C27 C28 1.404(5) . ?
C27 C27 1.485(7) 2_546 ?
C29 C30 1.5498(10) . ?
C30 F2A 1.290(9) . ?
C30 F3 1.307(8) . ?
C30 F1 1.309(8) . ?
C30 F1A 1.312(9) . ?
C30 F3A 1.322(9) . ?
C30 F2 1.347(8) . ?
C31 C32 1.542(6) . ?
C32 F4 1.311(5) . ?
C32 F6 1.320(5) . ?
C32 F5 1.338(5) . ?
C33 C34 1.515(6) . ?
C34 F7 1.265(5) . ?
C34 F8 1.286(5) . ?
C34 F9 1.303(6) . ?
C35 C36 1.529(6) . ?
C36 F10 1.265(9) . ?
C36 F12 1.285(9) . ?
C36 F11 1.288(10) . ?
C36 F11A 1.307(8) . ?
C36 F10A 1.320(7) . ?
C36 F12A 1.324(8) . ?
C37 C38 1.537(6) . ?
C38 F14 1.313(5) . ?
C38 F13 1.318(5) . ?
C38 F15 1.323(5) . ?
C39 C40 1.529(6) . ?
C40 F17 1.288(5) . ?
C40 F18 1.306(6) . ?
C40 F16 1.312(6) . ?
C41 C42 1.529(6) . ?
C42 F20 1.313(5) . ?
C42 F21 1.320(6) . ?
C42 F19 1.324(5) . ?
C43 Cl1 1.728(6) . ?
C43 Cl3 1.740(5) . ?
C43 Cl2 1.753(5) . ?
