#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:46:00 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/99/7059980.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_7059980
loop_
_publ_author_name
'Dias, H. V. Rasika'
'Palehepitiya Gamage, Chammi S.'
'Jayaratna, Naleen B.'
'Hettiarachchi, Champika V.'
_publ_section_title
;
 Mixed ligand complexes of silver(i) supported by highly fluorinated
 pyrazolates, and chelating and bridging N-heterocycles
;
_journal_issue                   39
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17079
_journal_page_last               17087
_journal_paper_doi               10.1039/D0NJ04007J
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C56 H28 Ag4 F24 N14, C7 H8'
_chemical_formula_sum            'C63 H36 Ag4 F24 N14'
_chemical_formula_weight         1876.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2020-09-03
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-09-11 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_cell_angle_alpha                92.125(5)
_cell_angle_beta                 96.546(6)
_cell_angle_gamma                103.553(11)
_cell_formula_units_Z            2
_cell_length_a                   12.1451(13)
_cell_length_b                   13.5207(14)
_cell_length_c                   20.327(3)
_cell_measurement_reflns_used    7974
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.49
_cell_volume                     3216.8(7)
_computing_cell_refinement       'SAINT v7.06A (Bruker, 2003)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.06A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0445
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            30094
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.275
_diffrn_reflns_theta_min         1.739
_exptl_absorpt_coefficient_mu    1.324
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS v.2.10 (Bruker,2003) was used for absorption correction. R(int) was 0.0429 before and 0.0289 after correction. The Ratio of minimum to maximum transmission is 0.7208. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.937
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.381
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1038
_refine_ls_number_reflns         15308
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0496P)²+0.4926P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0904
_refine_ls_wR_factor_ref         0.0973
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12705
_reflns_number_total             15308
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj04007j2.cif
_cod_data_source_block           dias46s
_cod_depositor_comments
'Adding full bibliography for 7059979--7059984.cif.'
_cod_database_code               7059980
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.890
_shelx_estimated_absorpt_t_min   0.725
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F20A-C43 \\sim F20-C43 \\sim F19A-C43 \\sim F19-C43 \\sim F21A-C43 \\sim
F21-C43
 with sigma of 0.01
3. Others
 Fixed Sof: F19(0.459) F20(0.459) F21(0.459) F19A(0.541) F20A(0.541)
 F21A(0.541) C64(0.5) C65(0.5) H65(0.5) C66(0.5) H66(0.5) C67(0.5) H67(0.5)
 C68(0.5) H68(0.5) C69(0.5) H69(0.5) C70(0.5) H70A(0.5) H70B(0.5) H70C(0.5)
 C57(0.5) C58(0.5) H58(0.5) C59(0.5) H59(0.5) C60(0.5) H60(0.5) C61(0.5)
 H61(0.5) C62(0.5) H62(0.5) C63(0.5) H63A(0.5) H63B(0.5) H63C(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7), C11(H11), C12(H12), C13(H13), C16(H16), C17(H17), C18(H18),
 C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C28(H28), C29(H29), C30(H30),
  C32(H32), C33(H33), C36(H36), C41(H41), C45(H45), C46(H46), C47(H47),
 C50(H50), C51(H51), C52(H52), C54(H54), C55(H55), C65(H65), C66(H66), C67(H67),
  C68(H68), C69(H69), C58(H58), C59(H59), C60(H60), C61(H61), C62(H62)
4.b Idealised Me refined as rotating group:
 C70(H70A,H70B,H70C), C63(H63A,H63B,H63C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.50848(2) -0.75659(2) -0.14866(2) 0.02457(6) Uani 1 1 d . . . . .
Ag2 Ag 0.39660(2) -0.75409(2) -0.30603(2) 0.02583(6) Uani 1 1 d . . . . .
Ag3 Ag 0.12818(2) -0.36562(2) -0.13736(2) 0.02839(7) Uani 1 1 d . . . . .
Ag4 Ag 0.05023(2) -0.31477(2) -0.29926(2) 0.02981(7) Uani 1 1 d . . . . .
F1 F 0.82667(15) -0.92530(15) -0.15215(10) 0.0343(5) Uani 1 1 d . . . . .
F2 F 0.70669(16) -0.86659(15) -0.10093(9) 0.0323(4) Uani 1 1 d . . . . .
F3 F 0.66422(17) -1.02211(14) -0.14031(10) 0.0356(5) Uani 1 1 d . . . . .
F4 F 0.68468(19) -0.8920(2) -0.42083(11) 0.0511(6) Uani 1 1 d . . . . .
F5 F 0.57152(17) -0.79143(16) -0.41650(10) 0.0393(5) Uani 1 1 d . . . . .
F6 F 0.50469(19) -0.95276(17) -0.41993(11) 0.0465(5) Uani 1 1 d . . . . .
F7 F 0.38473(18) -0.97211(17) -0.09161(12) 0.0469(6) Uani 1 1 d . . . . .
F8 F 0.2656(2) -0.92639(17) -0.03344(11) 0.0479(6) Uani 1 1 d . . . . .
F9 F 0.21195(18) -1.06042(15) -0.10032(12) 0.0469(6) Uani 1 1 d . . . . .
F10 F -0.03332(16) -0.83097(17) -0.25998(13) 0.0502(6) Uani 1 1 d . . . . .
F11 F 0.09566(19) -0.7061(2) -0.28436(15) 0.0664(8) Uani 1 1 d . . . . .
F12 F 0.0669(3) -0.8520(3) -0.33560(14) 0.0966(13) Uani 1 1 d . . . . .
F13 F 0.07070(18) -0.65708(18) -0.11902(14) 0.0568(7) Uani 1 1 d . . . . .
F14 F -0.11073(18) -0.70716(16) -0.11746(14) 0.0532(6) Uani 1 1 d . . . . .
F15 F -0.02001(19) -0.55774(17) -0.07526(12) 0.0483(6) Uani 1 1 d . . . . .
F16 F -0.2016(2) -0.4926(2) -0.37913(12) 0.0588(7) Uani 1 1 d . . . . .
F17 F -0.2119(3) -0.6539(2) -0.38480(15) 0.0845(10) Uani 1 1 d . . . . .
F18 F -0.0606(2) -0.54743(19) -0.40499(13) 0.0584(7) Uani 1 1 d . . . . .
F22 F -0.17697(19) -0.23096(18) -0.32087(12) 0.0495(6) Uani 1 1 d . . . . .
F23 F -0.09522(19) -0.07273(18) -0.30009(13) 0.0527(6) Uani 1 1 d . . . . .
F24 F -0.25494(16) -0.13513(16) -0.26420(12) 0.0448(6) Uani 1 1 d . . . . .
F19 F 0.0739(9) -0.2442(10) -0.0119(3) 0.121(4) Uani 0.459 1 d D . P A 1
F20 F -0.0961(6) -0.2326(9) -0.0003(4) 0.095(4) Uani 0.459 1 d D . P A 1
F21 F 0.0316(8) -0.1109(5) -0.0057(4) 0.095(3) Uani 0.459 1 d D . P A 1
F19A F -0.0120(4) -0.3028(3) -0.0238(2) 0.0414(11) Uani 0.541 1 d D . P A 2
F20A F -0.1052(5) -0.1890(5) -0.0128(3) 0.0417(14) Uani 0.541 1 d D . P A 2
F21A F 0.0787(4) -0.1443(5) -0.0088(3) 0.0468(14) Uani 0.541 1 d D . P A 2
N1 N 0.5849(2) -0.84323(19) -0.21878(13) 0.0255(6) Uani 1 1 d . . . . .
N2 N 0.5508(2) -0.8306(2) -0.28315(13) 0.0267(6) Uani 1 1 d . . . . .
N3 N 0.3209(2) -0.8327(2) -0.17257(14) 0.0276(6) Uani 1 1 d . . . . .
N4 N 0.2671(2) -0.7893(2) -0.22188(14) 0.0279(6) Uani 1 1 d . . . . .
N5 N 0.5819(2) -0.6006(2) -0.10177(12) 0.0227(5) Uani 1 1 d . . . . .
N6 N 0.2993(2) -0.33521(19) -0.07644(13) 0.0260(6) Uani 1 1 d . . . . .
N7 N 0.4950(2) -0.58488(19) -0.28177(12) 0.0207(5) Uani 1 1 d . . . . .
N8 N 0.2524(2) -0.28990(19) -0.24694(13) 0.0242(5) Uani 1 1 d . . . . .
N9 N 0.0105(2) -0.4915(2) -0.20339(16) 0.0317(6) Uani 1 1 d . . . . .
N10 N -0.0190(2) -0.4748(2) -0.26700(16) 0.0324(7) Uani 1 1 d . . . . .
N11 N 0.0259(2) -0.24379(19) -0.14895(14) 0.0272(6) Uani 1 1 d . . . . .
N12 N -0.0110(2) -0.2297(2) -0.21234(15) 0.0293(6) Uani 1 1 d . . . . .
N13 N 0.0476(2) -0.2410(2) -0.39815(15) 0.0309(6) Uani 1 1 d . . . . .
N14 N 0.2975(2) 0.1598(2) -0.40347(14) 0.0280(6) Uani 1 1 d . . . . .
C1 C 0.6666(2) -0.8951(2) -0.21721(16) 0.0240(6) Uani 1 1 d . . . . .
C2 C 0.6880(3) -0.9170(2) -0.28106(16) 0.0263(7) Uani 1 1 d . . . . .
H2 H 0.741378 -0.952555 -0.294500 0.032 Uiso 1 1 calc R . . . .
C3 C 0.6132(3) -0.8750(2) -0.32024(16) 0.0253(7) Uani 1 1 d . . . . .
C4 C 0.7159(3) -0.9256(2) -0.15326(17) 0.0268(7) Uani 1 1 d . . . . .
C5 C 0.5938(3) -0.8771(3) -0.39375(18) 0.0333(8) Uani 1 1 d . . . . .
C6 C 0.2426(3) -0.9038(2) -0.14819(18) 0.0300(7) Uani 1 1 d . . . . .
C7 C 0.1342(3) -0.9085(3) -0.18059(18) 0.0345(8) Uani 1 1 d . . . . .
H7 H 0.063316 -0.951492 -0.173235 0.041 Uiso 1 1 calc R . . . .
C8 C 0.1550(3) -0.8351(3) -0.22614(18) 0.0306(7) Uani 1 1 d . . . . .
C9 C 0.2750(3) -0.9650(3) -0.09378(19) 0.0356(8) Uani 1 1 d . . . . .
C10 C 0.0723(3) -0.8063(3) -0.2758(2) 0.0415(9) Uani 1 1 d . . . . .
C11 C 0.6927(3) -0.5727(3) -0.07908(16) 0.0265(7) Uani 1 1 d . . . . .
H11 H 0.737726 -0.620671 -0.083802 0.032 Uiso 1 1 calc R . . . .
C12 C 0.7456(3) -0.4769(3) -0.04881(17) 0.0314(7) Uani 1 1 d . . . . .
H12 H 0.825315 -0.459783 -0.034271 0.038 Uiso 1 1 calc R . . . .
C13 C 0.6820(3) -0.4073(3) -0.04014(15) 0.0280(7) Uani 1 1 d . . . . .
H13 H 0.716894 -0.342073 -0.018658 0.034 Uiso 1 1 calc R . . . .
C14 C 0.5646(3) -0.4331(2) -0.06323(14) 0.0212(6) Uani 1 1 d . . . . .
C15 C 0.4907(3) -0.3643(2) -0.05551(15) 0.0229(6) Uani 1 1 d . . . . .
C16 C 0.5286(3) -0.2665(2) -0.02294(16) 0.0295(7) Uani 1 1 d . . . . .
H16 H 0.606624 -0.241566 -0.005388 0.035 Uiso 1 1 calc R . . . .
C17 C 0.4525(3) -0.2074(3) -0.01667(17) 0.0355(8) Uani 1 1 d . . . . .
H17 H 0.476940 -0.141874 0.006140 0.043 Uiso 1 1 calc R . . . .
C18 C 0.3387(3) -0.2442(2) -0.04408(17) 0.0330(8) Uani 1 1 d . . . . .
H18 H 0.286961 -0.202221 -0.039391 0.040 Uiso 1 1 calc R . . . .
C19 C 0.3740(3) -0.3968(2) -0.08182(15) 0.0231(6) Uani 1 1 d . . . . .
C20 C 0.3306(3) -0.4958(2) -0.11455(15) 0.0217(6) Uani 1 1 d . . . . .
H20 H 0.252439 -0.516427 -0.132515 0.026 Uiso 1 1 calc R . . . .
C21 C 0.3986(2) -0.5608(2) -0.12048(14) 0.0199(6) Uani 1 1 d . . . . .
H21 H 0.367594 -0.626799 -0.141850 0.024 Uiso 1 1 calc R . . . .
C22 C 0.5176(2) -0.5309(2) -0.09468(14) 0.0199(6) Uani 1 1 d . . . . .
C23 C 0.6072(3) -0.5652(2) -0.26477(15) 0.0247(6) Uani 1 1 d . . . . .
H23 H 0.644677 -0.618481 -0.271095 0.030 Uiso 1 1 calc R . . . .
C24 C 0.6731(3) -0.4703(2) -0.23807(16) 0.0254(7) Uani 1 1 d . . . . .
H24 H 0.753317 -0.459376 -0.227081 0.030 Uiso 1 1 calc R . . . .
C25 C 0.6196(3) -0.3927(2) -0.22794(15) 0.0231(6) Uani 1 1 d . . . . .
H25 H 0.662729 -0.327918 -0.209166 0.028 Uiso 1 1 calc R . . . .
C26 C 0.5014(2) -0.4098(2) -0.24541(14) 0.0187(6) Uani 1 1 d . . . . .
C27 C 0.4375(2) -0.3324(2) -0.23642(14) 0.0195(6) Uani 1 1 d . . . . .
C28 C 0.4876(3) -0.2337(2) -0.20834(15) 0.0239(6) Uani 1 1 d . . . . .
H28 H 0.567781 -0.213346 -0.195566 0.029 Uiso 1 1 calc R . . . .
C29 C 0.4211(3) -0.1666(2) -0.19927(16) 0.0257(7) Uani 1 1 d . . . . .
H29 H 0.454185 -0.099445 -0.180289 0.031 Uiso 1 1 calc R . . . .
C30 C 0.3038(3) -0.1990(2) -0.21851(15) 0.0256(7) Uani 1 1 d . . . . .
H30 H 0.257970 -0.152746 -0.210643 0.031 Uiso 1 1 calc R . . . .
C31 C 0.3178(2) -0.3581(2) -0.25586(15) 0.0210(6) Uani 1 1 d . . . . .
C32 C 0.2620(3) -0.4573(2) -0.28528(16) 0.0259(7) Uani 1 1 d . . . . .
H32 H 0.182231 -0.473036 -0.299500 0.031 Uiso 1 1 calc R . . . .
C33 C 0.3216(2) -0.5294(2) -0.29319(15) 0.0230(6) Uani 1 1 d . . . . .
H33 H 0.282780 -0.595233 -0.312359 0.028 Uiso 1 1 calc R . . . .
C34 C 0.4418(2) -0.5075(2) -0.27308(14) 0.0206(6) Uani 1 1 d . . . . .
C35 C -0.0486(3) -0.5847(2) -0.1916(2) 0.0343(8) Uani 1 1 d . . . . .
C36 C -0.1190(3) -0.6316(3) -0.2480(2) 0.0392(9) Uani 1 1 d . . . . .
H36 H -0.169967 -0.697170 -0.253656 0.047 Uiso 1 1 calc R . . . .
C37 C -0.0964(3) -0.5591(2) -0.2940(2) 0.0348(8) Uani 1 1 d . . . . .
C38 C -0.0275(3) -0.6258(3) -0.1269(2) 0.0437(10) Uani 1 1 d . . . . .
C39 C -0.1429(3) -0.5642(3) -0.3641(2) 0.0449(10) Uani 1 1 d . . . . .
C40 C -0.0344(3) -0.2018(2) -0.10915(18) 0.0297(7) Uani 1 1 d . . . . .
C41 C -0.1131(3) -0.1602(2) -0.14683(19) 0.0326(8) Uani 1 1 d . . . . .
H41 H -0.166679 -0.126152 -0.131856 0.039 Uiso 1 1 calc R . . . .
C42 C -0.0948(3) -0.1799(2) -0.21053(18) 0.0301(7) Uani 1 1 d . . . . .
C43 C -0.0134(3) -0.2054(3) -0.0370(2) 0.0403(9) Uani 1 1 d D . . . .
C44 C -0.1541(3) -0.1549(3) -0.2733(2) 0.0366(8) Uani 1 1 d . . . . .
C45 C -0.0055(3) -0.2941(3) -0.45354(19) 0.0350(8) Uani 1 1 d . . . . .
H45 H -0.047617 -0.362178 -0.450481 0.042 Uiso 1 1 calc R . . . .
C46 C -0.0027(3) -0.2552(3) -0.51623(19) 0.0375(8) Uani 1 1 d . . . . .
H46 H -0.041827 -0.296415 -0.554548 0.045 Uiso 1 1 calc R . . . .
C47 C 0.0567(3) -0.1572(3) -0.52205(18) 0.0339(8) Uani 1 1 d . . . . .
H47 H 0.059779 -0.130022 -0.564428 0.041 Uiso 1 1 calc R . . . .
C48 C 0.1130(3) -0.0972(2) -0.46471(16) 0.0266(7) Uani 1 1 d . . . . .
C49 C 0.1777(3) 0.0084(2) -0.46598(16) 0.0271(7) Uani 1 1 d . . . . .
C50 C 0.1847(3) 0.0608(3) -0.52436(17) 0.0322(8) Uani 1 1 d . . . . .
H50 H 0.146333 0.027949 -0.565585 0.039 Uiso 1 1 calc R . . . .
C51 C 0.2471(3) 0.1594(3) -0.52124(18) 0.0349(8) Uani 1 1 d . . . . .
H51 H 0.252721 0.195860 -0.560254 0.042 Uiso 1 1 calc R . . . .
C52 C 0.3028(3) 0.2060(3) -0.45994(17) 0.0333(8) Uani 1 1 d . . . . .
H52 H 0.346698 0.274363 -0.458644 0.040 Uiso 1 1 calc R . . . .
C53 C 0.2359(3) 0.0609(2) -0.40585(16) 0.0257(7) Uani 1 1 d . . . . .
C54 C 0.2288(3) 0.0111(2) -0.34544(16) 0.0285(7) Uani 1 1 d . . . . .
H54 H 0.269757 0.046036 -0.305384 0.034 Uiso 1 1 calc R . . . .
C55 C 0.1650(3) -0.0848(2) -0.34402(17) 0.0305(7) Uani 1 1 d . . . . .
H55 H 0.158708 -0.114833 -0.302661 0.037 Uiso 1 1 calc R . . . .
C56 C 0.1070(3) -0.1421(2) -0.40327(16) 0.0269(7) Uani 1 1 d . . . . .
C64 C 0.4170(6) -0.3162(6) -0.4240(3) 0.0342(16) Uani 0.5 1 d . . P B -2
C65 C 0.3577(9) -0.4015(8) -0.4601(5) 0.042(2) Uani 0.5 1 d . . P B -2
H65 H 0.281499 -0.405387 -0.479108 0.050 Uiso 0.5 1 calc R . P B -2
C66 C 0.4063(7) -0.4860(6) -0.4706(4) 0.0452(19) Uani 0.5 1 d . . P B -2
H66 H 0.363707 -0.545396 -0.496534 0.054 Uiso 0.5 1 calc R . P B -2
C67 C 0.5163(7) -0.4800(6) -0.4423(3) 0.0382(17) Uani 0.5 1 d . . P B -2
H67 H 0.550442 -0.535395 -0.448999 0.046 Uiso 0.5 1 calc R . P B -2
C68 C 0.5769(6) -0.3941(6) -0.4042(3) 0.0348(16) Uani 0.5 1 d . . P B -2
H68 H 0.653246 -0.387438 -0.384397 0.042 Uiso 0.5 1 calc R . P B -2
C69 C 0.519(2) -0.3171(18) -0.3967(15) 0.023(4) Uani 0.5 1 d . . P B -2
H69 H 0.558088 -0.259089 -0.368467 0.027 Uiso 0.5 1 calc R . P B -2
C70 C 0.367(2) -0.2291(13) -0.4125(12) 0.054(6) Uani 0.5 1 d . . P B -2
H70A H 0.321349 -0.218113 -0.453409 0.081 Uiso 0.5 1 calc GR . P B -2
H70B H 0.427795 -0.167795 -0.399060 0.081 Uiso 0.5 1 calc GR . P B -2
H70C H 0.317466 -0.243282 -0.377277 0.081 Uiso 0.5 1 calc GR . P B -2
C57 C 0.3323(7) -0.3846(8) -0.4364(4) 0.033(2) Uani 0.5 1 d . . P C -1
C58 C 0.3074(7) -0.2900(7) -0.4389(4) 0.0385(19) Uani 0.5 1 d . . P C -1
H58 H 0.231642 -0.287304 -0.454810 0.046 Uiso 0.5 1 calc R . P C -1
C59 C 0.3861(16) -0.1995(13) -0.4196(10) 0.036(3) Uani 0.5 1 d . . P C -1
H59 H 0.366521 -0.135691 -0.423019 0.044 Uiso 0.5 1 calc R . P C -1
C60 C 0.4991(6) -0.2060(6) -0.3940(3) 0.0360(16) Uani 0.5 1 d . . P C -1
H60 H 0.552603 -0.144261 -0.377981 0.043 Uiso 0.5 1 calc R . P C -1
C61 C 0.537(3) -0.2957(19) -0.3908(16) 0.031(4) Uani 0.5 1 d . . P C -1
H61 H 0.613099 -0.297768 -0.375814 0.037 Uiso 0.5 1 calc R . P C -1
C62 C 0.4441(6) -0.3879(6) -0.4133(3) 0.0310(15) Uani 0.5 1 d . . P C -1
H62 H 0.461996 -0.452579 -0.412012 0.037 Uiso 0.5 1 calc R . P C -1
C63 C 0.2428(7) -0.4807(6) -0.4592(4) 0.0414(18) Uani 0.5 1 d . . P C -1
H63A H 0.257166 -0.506925 -0.502174 0.062 Uiso 0.5 1 calc GR . P C -1
H63B H 0.167165 -0.465970 -0.463658 0.062 Uiso 0.5 1 calc GR . P C -1
H63C H 0.245840 -0.531886 -0.426545 0.062 Uiso 0.5 1 calc GR . P C -1
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'
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
N1 Ag1 Ag2 67.34(7) . . ?
N1 Ag1 N3 101.61(9) . . ?
N3 Ag1 Ag2 64.18(7) . . ?
N5 Ag1 Ag2 112.26(6) . . ?
N5 Ag1 N1 127.66(9) . . ?
N5 Ag1 N3 126.11(9) . . ?
N2 Ag2 Ag1 61.21(7) . . ?
N2 Ag2 N4 110.79(9) . . ?
N4 Ag2 Ag1 61.68(7) . . ?
N7 Ag2 Ag1 77.92(6) . . ?
N7 Ag2 N2 98.41(9) . . ?
N7 Ag2 N4 104.62(9) . . ?
N14 Ag2 Ag1 150.09(7) 1_545 . ?
N14 Ag2 N2 104.04(9) 1_545 . ?
N14 Ag2 N4 106.31(9) 1_545 . ?
N14 Ag2 N7 131.72(9) 1_545 . ?
N6 Ag3 N11 122.13(9) . . ?
N9 Ag3 N6 138.60(9) . . ?
N9 Ag3 N11 99.20(9) . . ?
N10 Ag4 N8 97.95(9) . . ?
N10 Ag4 N12 95.51(10) . . ?
N12 Ag4 N8 96.17(9) . . ?
N13 Ag4 N8 109.48(9) . . ?
N13 Ag4 N10 134.59(10) . . ?
N13 Ag4 N12 115.90(10) . . ?
N2 N1 Ag1 112.48(18) . . ?
C1 N1 Ag1 138.8(2) . . ?
C1 N1 N2 108.1(2) . . ?
N1 N2 Ag2 117.77(18) . . ?
C3 N2 Ag2 135.0(2) . . ?
C3 N2 N1 107.0(2) . . ?
N4 N3 Ag1 113.06(19) . . ?
C6 N3 Ag1 138.2(2) . . ?
C6 N3 N4 108.4(3) . . ?
N3 N4 Ag2 106.31(17) . . ?
C8 N4 Ag2 131.9(2) . . ?
C8 N4 N3 106.6(3) . . ?
C11 N5 Ag1 119.4(2) . . ?
C11 N5 C22 118.0(3) . . ?
C22 N5 Ag1 122.65(19) . . ?
C18 N6 Ag3 117.6(2) . . ?
C18 N6 C19 118.3(3) . . ?
C19 N6 Ag3 122.7(2) . . ?
C23 N7 Ag2 117.9(2) . . ?
C23 N7 C34 118.0(3) . . ?
C34 N7 Ag2 123.13(19) . . ?
C30 N8 Ag4 117.26(19) . . ?
C30 N8 C31 117.9(3) . . ?
C31 N8 Ag4 123.8(2) . . ?
N10 N9 Ag3 119.1(2) . . ?
C35 N9 Ag3 132.4(3) . . ?
C35 N9 N10 108.3(3) . . ?
N9 N10 Ag4 116.8(2) . . ?
N9 N10 C37 107.1(3) . . ?
C37 N10 Ag4 135.6(3) . . ?
N12 N11 Ag3 114.65(19) . . ?
C40 N11 Ag3 134.4(2) . . ?
C40 N11 N12 107.9(3) . . ?
N11 N12 Ag4 119.11(19) . . ?
C42 N12 Ag4 132.6(2) . . ?
C42 N12 N11 107.2(3) . . ?
C45 N13 Ag4 120.9(2) . . ?
C45 N13 C56 117.7(3) . . ?
C56 N13 Ag4 121.3(2) . . ?
C52 N14 Ag2 119.5(2) . 1_565 ?
C52 N14 C53 118.0(3) . . ?
C53 N14 Ag2 122.4(2) . 1_565 ?
N1 C1 C2 110.4(3) . . ?
N1 C1 C4 120.3(3) . . ?
C2 C1 C4 129.2(3) . . ?
C1 C2 H2 128.3 . . ?
C3 C2 C1 103.3(3) . . ?
C3 C2 H2 128.3 . . ?
N2 C3 C2 111.2(3) . . ?
N2 C3 C5 120.4(3) . . ?
C2 C3 C5 128.4(3) . . ?
F1 C4 F3 104.9(2) . . ?
F1 C4 C1 112.5(3) . . ?
F2 C4 F1 107.5(3) . . ?
F2 C4 F3 105.5(3) . . ?
F2 C4 C1 113.4(3) . . ?
F3 C4 C1 112.5(3) . . ?
F4 C5 F6 106.3(3) . . ?
F4 C5 C3 111.4(3) . . ?
F5 C5 F4 107.2(3) . . ?
F5 C5 F6 105.6(3) . . ?
F5 C5 C3 113.4(3) . . ?
F6 C5 C3 112.4(3) . . ?
N3 C6 C7 110.7(3) . . ?
N3 C6 C9 121.3(3) . . ?
C7 C6 C9 128.0(3) . . ?
C6 C7 H7 128.6 . . ?
C8 C7 C6 102.8(3) . . ?
C8 C7 H7 128.6 . . ?
N4 C8 C7 111.5(3) . . ?
N4 C8 C10 120.4(3) . . ?
C7 C8 C10 128.0(3) . . ?
F7 C9 C6 112.1(3) . . ?
F8 C9 F7 105.8(3) . . ?
F8 C9 C6 113.3(3) . . ?
F9 C9 F7 105.8(3) . . ?
F9 C9 F8 107.1(3) . . ?
F9 C9 C6 112.2(3) . . ?
F10 C10 F11 106.3(3) . . ?
F10 C10 F12 105.6(3) . . ?
F10 C10 C8 112.5(3) . . ?
F11 C10 C8 113.3(3) . . ?
F12 C10 F11 105.8(4) . . ?
F12 C10 C8 112.8(3) . . ?
N5 C11 H11 118.4 . . ?
N5 C11 C12 123.2(3) . . ?
C12 C11 H11 118.4 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(3) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.5(3) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C15 123.1(3) . . ?
C13 C14 C22 117.7(3) . . ?
C22 C14 C15 119.2(3) . . ?
C16 C15 C14 123.5(3) . . ?
C16 C15 C19 117.8(3) . . ?
C19 C15 C14 118.7(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.6(3) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.5(3) . . ?
C18 C17 H17 120.3 . . ?
N6 C18 C17 123.1(3) . . ?
N6 C18 H18 118.5 . . ?
C17 C18 H18 118.5 . . ?
N6 C19 C15 121.7(3) . . ?
N6 C19 C20 118.2(3) . . ?
C15 C19 C20 120.1(3) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.3(3) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
N5 C22 C14 122.1(3) . . ?
N5 C22 C21 117.7(3) . . ?
C14 C22 C21 120.2(3) . . ?
N7 C23 H23 118.3 . . ?
N7 C23 C24 123.4(3) . . ?
C24 C23 H23 118.3 . . ?
C23 C24 H24 120.6 . . ?
C25 C24 C23 118.8(3) . . ?
C25 C24 H24 120.6 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.8(3) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C27 123.7(3) . . ?
C25 C26 C34 117.6(3) . . ?
C34 C26 C27 118.7(3) . . ?
C28 C27 C26 123.5(3) . . ?
C28 C27 C31 117.6(3) . . ?
C31 C27 C26 118.9(3) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0(3) . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.7 . . ?
C28 C29 C30 118.5(3) . . ?
C30 C29 H29 120.7 . . ?
N8 C30 C29 124.1(3) . . ?
N8 C30 H30 117.9 . . ?
C29 C30 H30 117.9 . . ?
N8 C31 C27 121.7(3) . . ?
N8 C31 C32 118.0(3) . . ?
C27 C31 C32 120.2(3) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 C31 120.8(3) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 H33 119.6 . . ?
C32 C33 C34 120.9(3) . . ?
C34 C33 H33 119.6 . . ?
N7 C34 C26 122.3(3) . . ?
N7 C34 C33 117.2(3) . . ?
C26 C34 C33 120.5(3) . . ?
N9 C35 C36 110.8(3) . . ?
N9 C35 C38 119.9(3) . . ?
C36 C35 C38 129.1(3) . . ?
C35 C36 H36 128.7 . . ?
C37 C36 C35 102.6(3) . . ?
C37 C36 H36 128.7 . . ?
N10 C37 C36 111.2(4) . . ?
N10 C37 C39 119.6(3) . . ?
C36 C37 C39 129.2(3) . . ?
F13 C38 C35 112.9(3) . . ?
F14 C38 F13 106.0(3) . . ?
F14 C38 F15 106.2(3) . . ?
F14 C38 C35 112.1(3) . . ?
F15 C38 F13 105.8(3) . . ?
F15 C38 C35 113.2(3) . . ?
F16 C39 F18 103.5(3) . . ?
F16 C39 C37 113.9(3) . . ?
F17 C39 F16 107.0(4) . . ?
F17 C39 F18 106.1(3) . . ?
F17 C39 C37 112.8(4) . . ?
F18 C39 C37 112.8(3) . . ?
N11 C40 C41 110.2(3) . . ?
N11 C40 C43 120.5(3) . . ?
C41 C40 C43 129.3(3) . . ?
C40 C41 H41 128.3 . . ?
C42 C41 C40 103.4(3) . . ?
C42 C41 H41 128.3 . . ?
N12 C42 C41 111.3(3) . . ?
N12 C42 C44 119.8(3) . . ?
C41 C42 C44 128.9(3) . . ?
F19 C43 F21 94.3(7) . . ?
F19 C43 C40 117.9(4) . . ?
F20 C43 F19 107.6(7) . . ?
F20 C43 F21 96.3(7) . . ?
F20 C43 C40 122.6(5) . . ?
F21 C43 C40 112.4(5) . . ?
F19A C43 C40 107.6(3) . . ?
F20A C43 F19A 105.1(4) . . ?
F20A C43 C40 106.7(4) . . ?
F21A C43 F19A 109.8(4) . . ?
F21A C43 F20A 111.9(5) . . ?
F21A C43 C40 115.2(4) . . ?
F22 C44 F23 105.8(3) . . ?
F22 C44 F24 106.2(3) . . ?
F22 C44 C42 113.1(3) . . ?
F23 C44 F24 106.0(3) . . ?
F23 C44 C42 113.8(3) . . ?
F24 C44 C42 111.3(3) . . ?
N13 C45 H45 118.3 . . ?
N13 C45 C46 123.3(3) . . ?
C46 C45 H45 118.3 . . ?
C45 C46 H46 120.2 . . ?
C47 C46 C45 119.6(3) . . ?
C47 C46 H46 120.2 . . ?
C46 C47 H47 120.3 . . ?
C46 C47 C48 119.3(3) . . ?
C48 C47 H47 120.3 . . ?
C47 C48 C49 123.2(3) . . ?
C47 C48 C56 117.8(3) . . ?
C56 C48 C49 119.0(3) . . ?
C50 C49 C48 123.0(3) . . ?
C50 C49 C53 118.1(3) . . ?
C53 C49 C48 118.9(3) . . ?
C49 C50 H50 120.3 . . ?
C51 C50 C49 119.3(3) . . ?
C51 C50 H50 120.3 . . ?
C50 C51 H51 120.4 . . ?
C50 C51 C52 119.3(3) . . ?
C52 C51 H51 120.4 . . ?
N14 C52 C51 123.4(3) . . ?
N14 C52 H52 118.3 . . ?
C51 C52 H52 118.3 . . ?
N14 C53 C49 121.9(3) . . ?
N14 C53 C54 118.4(3) . . ?
C49 C53 C54 119.7(3) . . ?
C53 C54 H54 119.4 . . ?
C55 C54 C53 121.2(3) . . ?
C55 C54 H54 119.4 . . ?
C54 C55 H55 119.3 . . ?
C54 C55 C56 121.3(3) . . ?
C56 C55 H55 119.3 . . ?
N13 C56 C48 122.3(3) . . ?
N13 C56 C55 117.9(3) . . ?
C48 C56 C55 119.8(3) . . ?
C65 C64 C70 121.9(13) . . ?
C69 C64 C65 116.4(12) . . ?
C69 C64 C70 121.6(16) . . ?
C64 C65 H65 119.2 . . ?
C64 C65 C66 121.7(9) . . ?
C66 C65 H65 119.2 . . ?
C65 C66 H66 120.7 . . ?
C67 C66 C65 118.7(8) . . ?
C67 C66 H66 120.7 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.2(7) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 122.2 . . ?
C67 C68 C69 115.6(11) . . ?
C69 C68 H68 122.2 . . ?
C64 C69 C68 127.3(17) . . ?
C64 C69 H69 116.3 . . ?
C68 C69 H69 116.3 . . ?
C64 C70 H70A 109.5 . . ?
C64 C70 H70B 109.5 . . ?
C64 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C58 C57 C62 117.7(8) . . ?
C58 C57 C63 121.3(8) . . ?
C62 C57 C63 121.0(9) . . ?
C57 C58 H58 118.1 . . ?
C59 C58 C57 123.8(11) . . ?
C59 C58 H58 118.1 . . ?
C58 C59 H59 121.6 . . ?
C58 C59 C60 116.9(13) . . ?
C60 C59 H59 121.6 . . ?
C59 C60 H60 117.4 . . ?
C61 C60 C59 125.2(14) . . ?
C61 C60 H60 117.4 . . ?
C60 C61 H61 123.7 . . ?
C60 C61 C62 113(2) . . ?
C62 C61 H61 123.7 . . ?
C57 C62 C61 123.6(15) . . ?
C57 C62 H62 118.2 . . ?
C61 C62 H62 118.2 . . ?
C57 C63 H63A 109.5 . . ?
C57 C63 H63B 109.5 . . ?
C57 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
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 Ag2 3.3345(6) . ?
Ag1 N1 2.225(2) . ?
Ag1 N3 2.258(3) . ?
Ag1 N5 2.220(3) . ?
Ag2 N2 2.354(3) . ?
Ag2 N4 2.439(3) . ?
Ag2 N7 2.325(3) . ?
Ag2 N14 2.315(3) 1_545 ?
Ag3 N6 2.235(3) . ?
Ag3 N9 2.235(3) . ?
Ag3 N11 2.287(2) . ?
Ag4 N8 2.502(3) . ?
Ag4 N10 2.279(3) . ?
Ag4 N12 2.355(3) . ?
Ag4 N13 2.277(3) . ?
F1 C4 1.342(3) . ?
F2 C4 1.336(4) . ?
F3 C4 1.359(4) . ?
F4 C5 1.340(4) . ?
F5 C5 1.337(4) . ?
F6 C5 1.346(4) . ?
F7 C9 1.355(4) . ?
F8 C9 1.343(4) . ?
F9 C9 1.330(4) . ?
F10 C10 1.327(4) . ?
F11 C10 1.339(5) . ?
F12 C10 1.332(5) . ?
F13 C38 1.351(4) . ?
F14 C38 1.344(4) . ?
F15 C38 1.350(5) . ?
F16 C39 1.353(5) . ?
F17 C39 1.325(4) . ?
F18 C39 1.356(4) . ?
F22 C44 1.341(4) . ?
F23 C44 1.343(4) . ?
F24 C44 1.344(4) . ?
F19 C43 1.347(6) . ?
F20 C43 1.311(6) . ?
F21 C43 1.367(6) . ?
F19A C43 1.357(4) . ?
F20A C43 1.329(5) . ?
F21A C43 1.283(5) . ?
N1 N2 1.356(4) . ?
N1 C1 1.341(4) . ?
N2 C3 1.346(4) . ?
N3 N4 1.360(4) . ?
N3 C6 1.337(4) . ?
N4 C8 1.349(4) . ?
N5 C11 1.331(4) . ?
N5 C22 1.371(4) . ?
N6 C18 1.330(4) . ?
N6 C19 1.377(4) . ?
N7 C23 1.328(4) . ?
N7 C34 1.369(4) . ?
N8 C30 1.319(4) . ?
N8 C31 1.371(4) . ?
N9 N10 1.344(4) . ?
N9 C35 1.340(4) . ?
N10 C37 1.348(4) . ?
N11 N12 1.350(4) . ?
N11 C40 1.346(4) . ?
N12 C42 1.349(4) . ?
N13 C45 1.326(4) . ?
N13 C56 1.377(4) . ?
N14 C52 1.328(4) . ?
N14 C53 1.366(4) . ?
C1 C2 1.387(4) . ?
C1 C4 1.482(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.376(4) . ?
C3 C5 1.484(5) . ?
C6 C7 1.390(5) . ?
C6 C9 1.478(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.382(5) . ?
C8 C10 1.470(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.390(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.368(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.406(4) . ?
C14 C15 1.452(4) . ?
C14 C22 1.409(4) . ?
C15 C16 1.407(4) . ?
C15 C19 1.417(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.369(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.397(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.427(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.351(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.436(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.396(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.377(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.401(4) . ?
C26 C27 1.459(4) . ?
C26 C34 1.411(4) . ?
C27 C28 1.400(4) . ?
C27 C31 1.418(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.370(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.394(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.427(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.359(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.428(4) . ?
C35 C36 1.383(5) . ?
C35 C38 1.467(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.383(5) . ?
C37 C39 1.464(6) . ?
C40 C41 1.391(5) . ?
C40 C43 1.465(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.366(5) . ?
C42 C44 1.483(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.398(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.369(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.405(4) . ?
C48 C49 1.461(5) . ?
C48 C56 1.411(5) . ?
C49 C50 1.405(5) . ?
C49 C53 1.415(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.366(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.399(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.424(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.349(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.424(4) . ?
C64 C65 1.347(12) . ?
C64 C69 1.30(3) . ?
C64 C70 1.47(2) . ?
C65 H65 0.9500 . ?
C65 C66 1.424(13) . ?
C66 H66 0.9500 . ?
C66 C67 1.375(11) . ?
C67 H67 0.9500 . ?
C67 C68 1.375(10) . ?
C68 H68 0.9500 . ?
C68 C69 1.40(3) . ?
C69 H69 0.9500 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C57 C58 1.382(13) . ?
C57 C62 1.397(12) . ?
C57 C63 1.504(12) . ?
C58 H58 0.9500 . ?
C58 C59 1.38(2) . ?
C59 H59 0.9500 . ?
C59 C60 1.44(2) . ?
C60 H60 0.9500 . ?
C60 C61 1.39(3) . ?
C61 H61 0.9500 . ?
C61 C62 1.49(2) . ?
C62 H62 0.9500 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 N1 N2 Ag2 -12.6(3) . . . . ?
Ag1 N1 N2 C3 172.1(2) . . . . ?
Ag1 N1 C1 C2 -169.0(2) . . . . ?
Ag1 N1 C1 C4 14.2(5) . . . . ?
Ag1 N3 N4 Ag2 41.8(2) . . . . ?
Ag1 N3 N4 C8 -173.9(2) . . . . ?
Ag1 N3 C6 C7 171.8(2) . . . . ?
Ag1 N3 C6 C9 -7.9(5) . . . . ?
Ag1 N5 C11 C12 -179.7(2) . . . . ?
Ag1 N5 C22 C14 178.3(2) . . . . ?
Ag1 N5 C22 C21 -1.6(4) . . . . ?
Ag2 N2 C3 C2 -174.0(2) . . . . ?
Ag2 N2 C3 C5 4.0(5) . . . . ?
Ag2 N4 C8 C7 130.9(3) . . . . ?
Ag2 N4 C8 C10 -48.0(5) . . . . ?
Ag2 N7 C23 C24 -168.5(2) . . . . ?
Ag2 N7 C34 C26 166.8(2) . . . . ?
Ag2 N7 C34 C33 -13.1(4) . . . . ?
Ag2 N14 C52 C51 179.0(3) 1_565 . . . ?
Ag2 N14 C53 C49 -178.6(2) 1_565 . . . ?
Ag2 N14 C53 C54 2.9(4) 1_565 . . . ?
Ag3 N6 C18 C17 -165.5(3) . . . . ?
Ag3 N6 C19 C15 164.5(2) . . . . ?
Ag3 N6 C19 C20 -15.9(4) . . . . ?
Ag3 N9 N10 Ag4 -2.5(3) . . . . ?
Ag3 N9 N10 C37 -175.4(2) . . . . ?
Ag3 N9 C35 C36 174.2(2) . . . . ?
Ag3 N9 C35 C38 -10.0(5) . . . . ?
Ag3 N11 N12 Ag4 -6.8(3) . . . . ?
Ag3 N11 N12 C42 162.5(2) . . . . ?
Ag3 N11 C40 C41 -157.8(2) . . . . ?
Ag3 N11 C40 C43 21.5(5) . . . . ?
Ag4 N8 C30 C29 -166.5(2) . . . . ?
Ag4 N8 C31 C27 167.3(2) . . . . ?
Ag4 N8 C31 C32 -13.0(4) . . . . ?
Ag4 N10 C37 C36 -170.4(2) . . . . ?
Ag4 N10 C37 C39 10.3(5) . . . . ?
Ag4 N12 C42 C41 167.8(2) . . . . ?
Ag4 N12 C42 C44 -11.6(5) . . . . ?
Ag4 N13 C45 C46 -175.0(3) . . . . ?
Ag4 N13 C56 C48 175.5(2) . . . . ?
Ag4 N13 C56 C55 -3.6(4) . . . . ?
N1 N2 C3 C2 0.1(4) . . . . ?
N1 N2 C3 C5 178.1(3) . . . . ?
N1 C1 C2 C3 -0.2(4) . . . . ?
N1 C1 C4 F1 -146.7(3) . . . . ?
N1 C1 C4 F2 -24.4(4) . . . . ?
N1 C1 C4 F3 95.1(3) . . . . ?
N2 N1 C1 C2 0.3(3) . . . . ?
N2 N1 C1 C4 -176.5(3) . . . . ?
N2 C3 C5 F4 159.2(3) . . . . ?
N2 C3 C5 F5 38.2(4) . . . . ?
N2 C3 C5 F6 -81.5(4) . . . . ?
N3 N4 C8 C7 -0.4(4) . . . . ?
N3 N4 C8 C10 -179.3(3) . . . . ?
N3 C6 C7 C8 0.4(4) . . . . ?
N3 C6 C9 F7 -25.3(4) . . . . ?
N3 C6 C9 F8 94.5(4) . . . . ?
N3 C6 C9 F9 -144.2(3) . . . . ?
N4 N3 C6 C7 -0.6(4) . . . . ?
N4 N3 C6 C9 179.8(3) . . . . ?
N4 C8 C10 F10 -158.9(3) . . . . ?
N4 C8 C10 F11 -38.4(5) . . . . ?
N4 C8 C10 F12 81.9(5) . . . . ?
N5 C11 C12 C13 1.4(5) . . . . ?
N6 C19 C20 C21 -178.7(3) . . . . ?
N7 C23 C24 C25 0.7(5) . . . . ?
N8 C31 C32 C33 -177.6(3) . . . . ?
N9 N10 C37 C36 0.5(4) . . . . ?
N9 N10 C37 C39 -178.7(3) . . . . ?
N9 C35 C36 C37 0.2(4) . . . . ?
N9 C35 C38 F13 -75.3(4) . . . . ?
N9 C35 C38 F14 164.9(3) . . . . ?
N9 C35 C38 F15 44.8(4) . . . . ?
N10 N9 C35 C36 0.1(4) . . . . ?
N10 N9 C35 C38 175.9(3) . . . . ?
N10 C37 C39 F16 -62.1(4) . . . . ?
N10 C37 C39 F17 175.7(3) . . . . ?
N10 C37 C39 F18 55.5(4) . . . . ?
N11 N12 C42 C41 0.5(4) . . . . ?
N11 N12 C42 C44 -178.9(3) . . . . ?
N11 C40 C41 C42 -0.2(4) . . . . ?
N11 C40 C43 F19 5.3(8) . . . . ?
N11 C40 C43 F20 -132.8(7) . . . . ?
N11 C40 C43 F21 113.4(6) . . . . ?
N11 C40 C43 F19A -48.4(4) . . . . ?
N11 C40 C43 F20A -160.7(4) . . . . ?
N11 C40 C43 F21A 74.5(5) . . . . ?
N12 N11 C40 C41 0.5(4) . . . . ?
N12 N11 C40 C43 179.9(3) . . . . ?
N12 C42 C44 F22 41.4(4) . . . . ?
N12 C42 C44 F23 -79.4(4) . . . . ?
N12 C42 C44 F24 160.9(3) . . . . ?
N13 C45 C46 C47 -0.4(5) . . . . ?
N14 C53 C54 C55 176.8(3) . . . . ?
C1 N1 N2 Ag2 175.05(19) . . . . ?
C1 N1 N2 C3 -0.2(3) . . . . ?
C1 C2 C3 N2 0.0(4) . . . . ?
C1 C2 C3 C5 -177.8(3) . . . . ?
C2 C1 C4 F1 37.2(5) . . . . ?
C2 C1 C4 F2 159.5(3) . . . . ?
C2 C1 C4 F3 -80.9(4) . . . . ?
C2 C3 C5 F4 -23.2(5) . . . . ?
C2 C3 C5 F5 -144.2(3) . . . . ?
C2 C3 C5 F6 96.0(4) . . . . ?
C4 C1 C2 C3 176.2(3) . . . . ?
C6 N3 N4 Ag2 -143.8(2) . . . . ?
C6 N3 N4 C8 0.6(3) . . . . ?
C6 C7 C8 N4 0.0(4) . . . . ?
C6 C7 C8 C10 178.8(4) . . . . ?
C7 C6 C9 F7 155.1(3) . . . . ?
C7 C6 C9 F8 -85.1(4) . . . . ?
C7 C6 C9 F9 36.2(5) . . . . ?
C7 C8 C10 F10 22.4(6) . . . . ?
C7 C8 C10 F11 142.9(4) . . . . ?
C7 C8 C10 F12 -96.9(5) . . . . ?
C9 C6 C7 C8 180.0(3) . . . . ?
C11 N5 C22 C14 -1.4(4) . . . . ?
C11 N5 C22 C21 178.8(3) . . . . ?
C11 C12 C13 C14 -1.4(5) . . . . ?
C12 C13 C14 C15 179.4(3) . . . . ?
C12 C13 C14 C22 0.0(4) . . . . ?
C13 C14 C15 C16 -1.6(5) . . . . ?
C13 C14 C15 C19 178.7(3) . . . . ?
C13 C14 C22 N5 1.4(4) . . . . ?
C13 C14 C22 C21 -178.8(3) . . . . ?
C14 C15 C16 C17 -178.6(3) . . . . ?
C14 C15 C19 N6 -179.8(3) . . . . ?
C14 C15 C19 C20 0.7(4) . . . . ?
C15 C14 C22 N5 -178.0(3) . . . . ?
C15 C14 C22 C21 1.8(4) . . . . ?
C15 C16 C17 C18 -1.5(5) . . . . ?
C15 C19 C20 C21 0.8(4) . . . . ?
C16 C15 C19 N6 0.4(4) . . . . ?
C16 C15 C19 C20 -179.1(3) . . . . ?
C16 C17 C18 N6 0.1(5) . . . . ?
C18 N6 C19 C15 -1.7(4) . . . . ?
C18 N6 C19 C20 177.8(3) . . . . ?
C19 N6 C18 C17 1.5(5) . . . . ?
C19 C15 C16 C17 1.2(5) . . . . ?
C19 C20 C21 C22 -1.0(4) . . . . ?
C20 C21 C22 N5 179.5(3) . . . . ?
C20 C21 C22 C14 -0.4(4) . . . . ?
C22 N5 C11 C12 -0.1(5) . . . . ?
C22 C14 C15 C16 177.8(3) . . . . ?
C22 C14 C15 C19 -1.9(4) . . . . ?
C23 N7 C34 C26 -1.7(4) . . . . ?
C23 N7 C34 C33 178.5(3) . . . . ?
C23 C24 C25 C26 -1.0(4) . . . . ?
C24 C25 C26 C27 179.9(3) . . . . ?
C24 C25 C26 C34 0.0(4) . . . . ?
C25 C26 C27 C28 -1.1(4) . . . . ?
C25 C26 C27 C31 -179.9(3) . . . . ?
C25 C26 C34 N7 1.4(4) . . . . ?
C25 C26 C34 C33 -178.8(3) . . . . ?
C26 C27 C28 C29 -177.5(3) . . . . ?
C26 C27 C31 N8 178.1(3) . . . . ?
C26 C27 C31 C32 -1.6(4) . . . . ?
C27 C26 C34 N7 -178.5(3) . . . . ?
C27 C26 C34 C33 1.4(4) . . . . ?
C27 C28 C29 C30 0.0(5) . . . . ?
C27 C31 C32 C33 2.1(5) . . . . ?
C28 C27 C31 N8 -0.8(4) . . . . ?
C28 C27 C31 C32 179.5(3) . . . . ?
C28 C29 C30 N8 -2.1(5) . . . . ?
C30 N8 C31 C27 -1.1(4) . . . . ?
C30 N8 C31 C32 178.6(3) . . . . ?
C31 N8 C30 C29 2.6(5) . . . . ?
C31 C27 C28 C29 1.3(4) . . . . ?
C31 C32 C33 C34 -0.8(5) . . . . ?
C32 C33 C34 N7 178.9(3) . . . . ?
C32 C33 C34 C26 -0.9(5) . . . . ?
C34 N7 C23 C24 0.6(4) . . . . ?
C34 C26 C27 C28 178.7(3) . . . . ?
C34 C26 C27 C31 -0.1(4) . . . . ?
C35 N9 N10 Ag4 172.57(19) . . . . ?
C35 N9 N10 C37 -0.4(3) . . . . ?
C35 C36 C37 N10 -0.5(4) . . . . ?
C35 C36 C37 C39 178.7(3) . . . . ?
C36 C35 C38 F13 99.7(4) . . . . ?
C36 C35 C38 F14 -20.0(5) . . . . ?
C36 C35 C38 F15 -140.2(3) . . . . ?
C36 C37 C39 F16 118.9(4) . . . . ?
C36 C37 C39 F17 -3.4(6) . . . . ?
C36 C37 C39 F18 -123.6(4) . . . . ?
C38 C35 C36 C37 -175.1(3) . . . . ?
C40 N11 N12 Ag4 -170.0(2) . . . . ?
C40 N11 N12 C42 -0.6(3) . . . . ?
C40 C41 C42 N12 -0.2(4) . . . . ?
C40 C41 C42 C44 179.2(3) . . . . ?
C41 C40 C43 F19 -175.5(7) . . . . ?
C41 C40 C43 F20 46.4(8) . . . . ?
C41 C40 C43 F21 -67.4(7) . . . . ?
C41 C40 C43 F19A 130.8(4) . . . . ?
C41 C40 C43 F20A 18.5(6) . . . . ?
C41 C40 C43 F21A -106.3(5) . . . . ?
C41 C42 C44 F22 -137.9(4) . . . . ?
C41 C42 C44 F23 101.3(4) . . . . ?
C41 C42 C44 F24 -18.4(5) . . . . ?
C43 C40 C41 C42 -179.5(3) . . . . ?
C45 N13 C56 C48 -0.4(4) . . . . ?
C45 N13 C56 C55 -179.5(3) . . . . ?
C45 C46 C47 C48 -0.6(5) . . . . ?
C46 C47 C48 C49 -179.5(3) . . . . ?
C46 C47 C48 C56 1.0(5) . . . . ?
C47 C48 C49 C50 3.1(5) . . . . ?
C47 C48 C49 C53 -177.0(3) . . . . ?
C47 C48 C56 N13 -0.5(4) . . . . ?
C47 C48 C56 C55 178.5(3) . . . . ?
C48 C49 C50 C51 -179.9(3) . . . . ?
C48 C49 C53 N14 -179.7(3) . . . . ?
C48 C49 C53 C54 -1.2(4) . . . . ?
C49 C48 C56 N13 179.9(3) . . . . ?
C49 C48 C56 C55 -1.0(4) . . . . ?
C49 C50 C51 C52 0.0(5) . . . . ?
C49 C53 C54 C55 -1.7(5) . . . . ?
C50 C49 C53 N14 0.2(4) . . . . ?
C50 C49 C53 C54 178.6(3) . . . . ?
C50 C51 C52 N14 -0.8(5) . . . . ?
C52 N14 C53 C49 -0.9(4) . . . . ?
C52 N14 C53 C54 -179.4(3) . . . . ?
C53 N14 C52 C51 1.2(5) . . . . ?
C53 C49 C50 C51 0.3(5) . . . . ?
C53 C54 C55 C56 3.3(5) . . . . ?
C54 C55 C56 N13 177.2(3) . . . . ?
C54 C55 C56 C48 -1.9(5) . . . . ?
C56 N13 C45 C46 0.9(5) . . . . ?
C56 C48 C49 C50 -177.3(3) . . . . ?
C56 C48 C49 C53 2.5(4) . . . . ?
C64 C65 C66 C67 0.7(13) . . . . ?
C65 C64 C69 C68 5(3) . . . . ?
C65 C66 C67 C68 0.6(11) . . . . ?
C66 C67 C68 C69 0.6(16) . . . . ?
C67 C68 C69 C64 -4(3) . . . . ?
C69 C64 C65 C66 -3.2(19) . . . . ?
C70 C64 C65 C66 -179.3(11) . . . . ?
C70 C64 C69 C68 -179(2) . . . . ?
C57 C58 C59 C60 -2(2) . . . . ?
C58 C57 C62 C61 0.7(19) . . . . ?
C58 C59 C60 C61 4(3) . . . . ?
C59 C60 C61 C62 -3(3) . . . . ?
C60 C61 C62 C57 1(3) . . . . ?
C62 C57 C58 C59 -0.4(15) . . . . ?
C63 C57 C58 C59 -179.1(11) . . . . ?
C63 C57 C62 C61 179.4(16) . . . . ?
