#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:12:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179098 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/60/4306039.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_4306039
loop_
_publ_author_name
'Xiao-Dan Zheng'
'Long Jiang'
'Xiao-Long Feng'
'Tong-Bu Lu'
_publ_section_title
;
The Supramolecular Isomerism Based on Argentophilic Interactions: The
Construction of Helical Chains with Defined Right-Handed and Left-Handed
Helicity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10858
_journal_page_last               10865
_journal_paper_doi               10.1021/ic8009578
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C59 H108 Ag3 Cl3 N20.5 Ni3 O12'
_chemical_formula_weight         1902.67
_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                94.159(2)
_cell_angle_beta                 106.730(2)
_cell_angle_gamma                118.455(2)
_cell_formula_units_Z            2
_cell_length_a                   15.910(2)
_cell_length_b                   16.4740(10)
_cell_length_c                   20.024(2)
_cell_measurement_reflns_used    4456
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      3.24
_cell_volume                     4279.7(7)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.97
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0382
_diffrn_reflns_av_sigmaI/netI    0.0832
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29475
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.475
_exptl_absorpt_correction_T_max  0.7185
_exptl_absorpt_correction_T_min  0.5899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1970
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.169
_refine_diff_density_min         -2.103
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1133
_refine_ls_number_reflns         15979
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0588
_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)+(0.0926P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1433
_refine_ls_wR_factor_ref         0.1555
_reflns_number_gt                9983
_reflns_number_total             15979
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8009578_si_002_6.cif
_cod_data_source_block           4
_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_database_code               4306039
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
Cl1B Cl 0.6635(11) 0.9675(10) 0.0949(7) 0.034(3) Uani 0.10 1 d PDU . .
O2B O 0.7463(17) 1.0283(19) 0.1619(11) 0.040(4) Uani 0.10 1 d PDU . .
O1B O 0.709(2) 0.957(2) 0.0437(14) 0.044(4) Uani 0.10 1 d PDU . .
O3B O 0.602(2) 0.8744(14) 0.1059(17) 0.040(4) Uani 0.10 1 d PDU . .
O4B O 0.599(2) 1.006(2) 0.0708(18) 0.044(4) Uani 0.10 1 d PDU . .
Cl1 Cl 0.6170(6) 0.8636(6) 0.1603(4) 0.0243(17) Uani 0.20 1 d PDU . .
O1 O 0.6353(12) 0.8176(11) 0.2176(8) 0.030(3) Uani 0.20 1 d PDU . .
O2 O 0.7108(9) 0.9248(11) 0.1412(9) 0.027(3) Uani 0.20 1 d PDU . .
O3 O 0.5691(12) 0.9237(10) 0.1699(8) 0.032(3) Uani 0.20 1 d PDU . .
O4 O 0.5366(10) 0.7758(8) 0.0979(8) 0.030(3) Uani 0.20 1 d PDU . .
Cl1' Cl 0.6024(6) 0.8514(6) 0.1362(5) 0.0247(18) Uani 0.20 1 d PDU . .
O1' O 0.6926(9) 0.9181(11) 0.1179(8) 0.020(3) Uani 0.20 1 d PDU . .
O2' O 0.5874(12) 0.9025(11) 0.1939(7) 0.033(3) Uani 0.20 1 d PDU . .
O4' O 0.6422(13) 0.7898(12) 0.1639(9) 0.039(3) Uani 0.20 1 d PDU . .
O3' O 0.5037(8) 0.7949(10) 0.0693(6) 0.033(3) Uani 0.20 1 d PDU . .
Cl1A Cl 0.6638(4) 0.9535(4) 0.1112(3) 0.064 Uani 0.50 1 d PDU . .
O2A O 0.6703(8) 1.0188(7) 0.1682(4) 0.072 Uani 0.50 1 d PDU . .
O1A O 0.7671(6) 0.9813(7) 0.1179(6) 0.073 Uani 0.50 1 d PDU . .
O3A O 0.6161(9) 0.8598(6) 0.1282(7) 0.062 Uani 0.50 1 d PDU . .
O4A O 0.6059(8) 0.9476(8) 0.0424(4) 0.075 Uani 0.50 1 d PDU . .
Ag3 Ag 1.06105(4) 1.50678(4) 0.31647(3) 0.04883(16) Uani 1 1 d U . .
Ni3 Ni 1.36657(5) 1.61404(5) 0.23234(4) 0.03173(18) Uani 1 1 d U . .
Ag2 Ag 1.19055(4) 1.24401(3) 0.18580(3) 0.04014(14) Uani 1 1 d U . .
Ag1 Ag 0.82729(5) 1.07716(4) 0.25746(3) 0.05500(17) Uani 1 1 d U . .
Ni2 Ni 0.99265(5) 0.89570(5) 0.19276(4) 0.02694(17) Uani 1 1 d U . .
Ni1 Ni 0.70008(5) 1.29805(5) 0.32062(4) 0.02705(17) Uani 1 1 d U . .
N8 N 1.0280(3) 0.8257(3) 0.1219(2) 0.0289(10) Uani 1 1 d U . .
H8D H 0.9995 0.7624 0.1243 0.035 Uiso 1 1 calc R . .
N3 N 0.6976(4) 1.2278(4) 0.4087(3) 0.0366(11) Uani 1 1 d U . .
H3A H 0.7239 1.1895 0.4017 0.044 Uiso 1 1 calc R . .
N2 N 0.6995(4) 1.4072(3) 0.3826(2) 0.0334(11) Uani 1 1 d U . .
H2C H 0.6331 1.3833 0.3821 0.040 Uiso 1 1 calc R . .
N4 N 0.5403(4) 1.1957(4) 0.2754(3) 0.0376(12) Uani 1 1 d U . .
H4D H 0.5054 1.2229 0.2873 0.045 Uiso 1 1 calc R . .
Cl3 Cl 0.58416(15) 0.68137(18) 0.65488(10) 0.0647(6) Uani 1 1 d U . .
N16 N 1.2920(4) 1.4685(4) 0.2073(3) 0.0358(11) Uani 1 1 d U . .
N17 N 1.2678(4) 1.5993(4) 0.2846(3) 0.0411(12) Uani 1 1 d U . .
N6 N 0.9358(3) 0.7895(3) 0.2479(2) 0.0307(10) Uani 1 1 d U . .
H6A H 0.9493 0.7429 0.2349 0.037 Uiso 1 1 calc R . .
N5 N 0.8365(4) 0.8226(4) 0.1166(3) 0.0367(12) Uani 1 1 d U . .
H5C H 0.8088 0.8576 0.1286 0.044 Uiso 1 1 calc R . .
N7 N 1.1460(4) 0.9434(3) 0.2661(2) 0.0312(11) Uani 1 1 d U . .
H7D H 1.1870 1.0047 0.2621 0.037 Uiso 1 1 calc R . .
N1 N 0.6792(4) 1.3681(4) 0.2354(3) 0.0367(11) Uani 1 1 d U . .
H1C H 0.7439 1.4040 0.2330 0.044 Uiso 1 1 calc R . .
N14 N 0.9465(4) 0.9703(4) 0.2463(3) 0.0431(13) Uani 1 1 d U . .
N11 N 1.4881(4) 1.6091(4) 0.3112(3) 0.0426(13) Uani 1 1 d U . .
H11A H 1.4611 1.5460 0.3140 0.051 Uiso 1 1 calc R . .
N13 N 0.7244(4) 1.1992(4) 0.2744(3) 0.0391(12) Uani 1 1 d U . .
N18 N 0.8565(4) 1.3912(4) 0.3466(3) 0.0423(13) Uani 1 1 d U . .
N15 N 1.0651(4) 1.0187(4) 0.1587(3) 0.0405(12) Uani 1 1 d U . .
C27 C 0.9790(5) 0.8216(5) 0.3279(3) 0.0366(14) Uani 1 1 d U . .
H27 H 0.9702 0.8757 0.3420 0.044 Uiso 1 1 calc R . .
C51 C 1.1141(5) 1.0997(5) 0.1646(3) 0.0410(15) Uani 1 1 d U . .
C17 C 1.1766(5) 0.8835(5) 0.2316(3) 0.0409(15) Uani 1 1 d U . .
H17A H 1.2523 0.9142 0.2516 0.049 Uiso 1 1 calc R . .
H17B H 1.1461 0.8201 0.2422 0.049 Uiso 1 1 calc R . .
N9 N 1.2707(4) 1.6429(4) 0.1485(3) 0.0419(12) Uani 1 1 d U . .
H9C H 1.2138 1.6281 0.1608 0.050 Uiso 1 1 calc R . .
C36 C 1.4295(6) 1.5343(6) 0.0419(4) 0.0547(18) Uani 1 1 d U . .
H36A H 1.4604 1.4987 0.0633 0.082 Uiso 1 1 calc R . .
H36B H 1.4835 1.5961 0.0404 0.082 Uiso 1 1 calc R . .
H36C H 1.3804 1.4979 -0.0072 0.082 Uiso 1 1 calc R . .
N12 N 1.4416(4) 1.6088(4) 0.1614(3) 0.0399(12) Uani 1 1 d U . .
H12D H 1.4825 1.6709 0.1588 0.048 Uiso 1 1 calc R . .
C30 C 1.1703(5) 0.9518(5) 0.3454(3) 0.0388(14) Uani 1 1 d U . .
C19 C 0.9887(5) 0.8271(5) 0.0448(3) 0.0395(14) Uani 1 1 d U . .
H19 H 1.0118 0.8948 0.0431 0.047 Uiso 1 1 calc R . .
C18 C 1.1407(5) 0.8719(5) 0.1523(3) 0.0401(14) Uani 1 1 d U . .
H18A H 1.1729 0.9351 0.1416 0.048 Uiso 1 1 calc R . .
H18B H 1.1617 0.8325 0.1300 0.048 Uiso 1 1 calc R . .
C26 C 0.8237(5) 0.7473(5) 0.2187(3) 0.0451(16) Uani 1 1 d U . .
H26A H 0.8063 0.7902 0.2404 0.054 Uiso 1 1 calc R . .
H26B H 0.7899 0.6857 0.2314 0.054 Uiso 1 1 calc R . .
C29 C 1.0955(5) 0.8579(4) 0.3577(3) 0.0368(14) Uani 1 1 d U . .
H29A H 1.1169 0.8641 0.4103 0.044 Uiso 1 1 calc R . .
H29B H 1.1045 0.8076 0.3367 0.044 Uiso 1 1 calc R . .
C32 C 1.2800(5) 0.9736(5) 0.3842(4) 0.0486(17) Uani 1 1 d U . .
H32A H 1.3281 1.0260 0.3693 0.073 Uiso 1 1 calc R . .
H32B H 1.2831 0.9167 0.3717 0.073 Uiso 1 1 calc R . .
H32C H 1.2987 0.9919 0.4364 0.073 Uiso 1 1 calc R . .
C5 C 0.7381(6) 1.3657(5) 0.4988(4) 0.0492(17) Uani 1 1 d U . .
H5A H 0.6633 1.3364 0.4872 0.059 Uiso 1 1 calc R . .
H5B H 0.7725 1.3963 0.5511 0.059 Uiso 1 1 calc R . .
C3 C 0.7712(6) 1.4438(5) 0.4594(4) 0.0486(17) Uani 1 1 d U . .
H3 H 0.8421 1.4643 0.4611 0.058 Uiso 1 1 calc R . .
C14 C 0.6080(5) 1.3128(5) 0.1594(3) 0.0439(15) Uani 1 1 d U . .
C9 C 0.5877(5) 1.1614(5) 0.3927(4) 0.0482(16) Uani 1 1 d U . .
H9A H 0.5592 1.1958 0.4116 0.058 Uiso 1 1 calc R . .
H9B H 0.5794 1.1097 0.4174 0.058 Uiso 1 1 calc R . .
C22 C 0.8125(5) 0.8107(5) 0.0384(4) 0.0471(16) Uani 1 1 d U . .
C6 C 0.7582(5) 1.2848(5) 0.4847(3) 0.0430(15) Uani 1 1 d U . .
C23 C 0.8432(6) 0.9087(5) 0.0224(4) 0.0494(17) Uani 1 1 d U . .
H23A H 0.9163 0.9538 0.0503 0.074 Uiso 1 1 calc R . .
H23B H 0.8022 0.9317 0.0357 0.074 Uiso 1 1 calc R . .
H23C H 0.8305 0.9029 -0.0291 0.074 Uiso 1 1 calc R . .
C10 C 0.5293(5) 1.1194(5) 0.3142(4) 0.0468(16) Uani 1 1 d U . .
H10A H 0.4557 1.0755 0.3054 0.056 Uiso 1 1 calc R . .
H10B H 0.5551 1.0821 0.2956 0.056 Uiso 1 1 calc R . .
C1 C 0.6577(6) 1.4377(5) 0.2639(3) 0.0455(16) Uani 1 1 d U . .
H1A H 0.5837 1.4061 0.2561 0.055 Uiso 1 1 calc R . .
H1B H 0.6741 1.4888 0.2378 0.055 Uiso 1 1 calc R . .
C2 C 0.7208(6) 1.4808(5) 0.3432(4) 0.0474(16) Uani 1 1 d U . .
H2A H 0.7948 1.5157 0.3506 0.057 Uiso 1 1 calc R . .
H2B H 0.7048 1.5269 0.3618 0.057 Uiso 1 1 calc R . .
C21 C 0.8713(5) 0.7697(5) 0.0139(3) 0.0429(15) Uani 1 1 d U . .
H21A H 0.8486 0.7067 0.0251 0.052 Uiso 1 1 calc R . .
H21B H 0.8489 0.7582 -0.0391 0.052 Uiso 1 1 calc R . .
C15 C 0.6588(6) 1.2707(6) 0.1279(4) 0.0520(17) Uani 1 1 d U . .
H15A H 0.6681 1.2268 0.1553 0.078 Uiso 1 1 calc R . .
H15B H 0.7259 1.3221 0.1304 0.078 Uiso 1 1 calc R . .
H15C H 0.6152 1.2360 0.0775 0.078 Uiso 1 1 calc R . .
C31 C 1.1638(6) 1.0350(5) 0.3761(4) 0.0500(17) Uani 1 1 d U . .
H31A H 1.0956 1.0246 0.3504 0.075 Uiso 1 1 calc R . .
H31B H 1.2165 1.0942 0.3703 0.075 Uiso 1 1 calc R . .
H31C H 1.1752 1.0397 0.4273 0.075 Uiso 1 1 calc R . .
C13 C 0.5027(5) 1.2355(5) 0.1580(4) 0.0471(16) Uani 1 1 d U . .
H13A H 0.4569 1.2043 0.1069 0.057 Uiso 1 1 calc R . .
H13B H 0.4740 1.2680 0.1788 0.057 Uiso 1 1 calc R . .
C49 C 0.7581(5) 1.1534(5) 0.2663(4) 0.0463(16) Uani 1 1 d U . .
C25 C 0.7841(5) 0.7313(5) 0.1378(4) 0.0473(16) Uani 1 1 d U . .
H25A H 0.7965 0.6842 0.1158 0.057 Uiso 1 1 calc R . .
H25B H 0.7091 0.7050 0.1196 0.057 Uiso 1 1 calc R . .
C53 C 1.1943(5) 1.5693(5) 0.2965(3) 0.0436(15) Uani 1 1 d U . .
C46 C 1.5359(6) 1.6682(6) 0.3871(4) 0.060(2) Uani 1 1 d U . .
C50 C 0.9079(6) 1.0106(5) 0.2554(4) 0.0527(18) Uani 1 1 d U . .
N10 N 1.4476(4) 1.7636(4) 0.2761(4) 0.0565(16) Uani 1 1 d U . .
H10C H 1.5039 1.7913 0.2619 0.068 Uiso 1 1 calc R . .
C28 C 0.9269(6) 0.7440(5) 0.3644(4) 0.0517(17) Uani 1 1 d U . .
H28A H 0.9326 0.6892 0.3500 0.078 Uiso 1 1 calc R . .
H28B H 0.8542 0.7239 0.3499 0.078 Uiso 1 1 calc R . .
H28C H 0.9605 0.7690 0.4168 0.078 Uiso 1 1 calc R . .
C35 C 1.3734(5) 1.5503(5) 0.0873(3) 0.0457(16) Uani 1 1 d U . .
H35 H 1.3231 1.4862 0.0910 0.055 Uiso 1 1 calc R . .
C20 C 1.0306(6) 0.7899(6) -0.0019(4) 0.0561(18) Uani 1 1 d U . .
H20A H 1.0020 0.7215 -0.0060 0.084 Uiso 1 1 calc R . .
H20B H 1.1058 0.8237 0.0205 0.084 Uiso 1 1 calc R . .
H20C H 1.0109 0.8007 -0.0500 0.084 Uiso 1 1 calc R . .
C54 C 0.9311(5) 1.4342(5) 0.3399(4) 0.0455(16) Uani 1 1 d U . .
C34 C 1.5114(5) 1.5764(5) 0.1994(3) 0.0445(16) Uani 1 1 d U . .
H34A H 1.4709 1.5071 0.1954 0.053 Uiso 1 1 calc R . .
H34B H 1.5625 1.5880 0.1767 0.053 Uiso 1 1 calc R . .
C11 C 0.4958(5) 1.1563(6) 0.1966(4) 0.0529(17) Uani 1 1 d U . .
H11 H 0.5350 1.1296 0.1829 0.063 Uiso 1 1 calc R . .
O10 O 0.5231(5) 0.7061(5) 0.6067(4) 0.0911(19) Uani 1 1 d U . .
C37 C 1.3106(6) 1.5914(6) 0.0466(4) 0.0554(18) Uani 1 1 d U . .
H37A H 1.3597 1.6585 0.0491 0.067 Uiso 1 1 calc R . .
H37B H 1.2776 1.5563 -0.0047 0.067 Uiso 1 1 calc R . .
O12 O 0.6697(6) 0.6934(6) 0.6388(4) 0.103(2) Uani 1 1 d U . .
C52 C 1.2554(5) 1.3880(5) 0.1997(3) 0.0397(14) Uani 1 1 d U . .
C24 C 0.6993(6) 0.7435(6) -0.0053(4) 0.060(2) Uani 1 1 d U . .
H24A H 0.6593 0.7655 0.0107 0.090 Uiso 1 1 calc R . .
H24B H 0.6787 0.6793 0.0014 0.090 Uiso 1 1 calc R . .
H24C H 0.6866 0.7422 -0.0564 0.090 Uiso 1 1 calc R . .
C38 C 1.2263(6) 1.5903(5) 0.0706(4) 0.0489(17) Uani 1 1 d U . .
C16 C 0.5908(6) 1.3755(6) 0.1120(4) 0.0586(19) Uani 1 1 d U . .
H16A H 0.6570 1.4330 0.1201 0.088 Uiso 1 1 calc R . .
H16B H 0.5455 1.3935 0.1239 0.088 Uiso 1 1 calc R . .
H16C H 0.5590 1.3403 0.0613 0.088 Uiso 1 1 calc R . .
C4 C 0.7739(7) 1.5286(6) 0.5009(4) 0.067(2) Uani 1 1 d U . .
H4A H 0.7037 1.5111 0.4955 0.101 Uiso 1 1 calc R . .
H4B H 0.8042 1.5840 0.4813 0.101 Uiso 1 1 calc R . .
H4C H 0.8154 1.5443 0.5520 0.101 Uiso 1 1 calc R . .
C8 C 0.7284(7) 1.2212(6) 0.5374(4) 0.061(2) Uani 1 1 d U . .
H8A H 0.7388 1.1680 0.5281 0.092 Uiso 1 1 calc R . .
H8B H 0.6560 1.1962 0.5301 0.092 Uiso 1 1 calc R . .
H8C H 0.7716 1.2592 0.5871 0.092 Uiso 1 1 calc R . .
C42 C 1.3742(6) 1.7941(6) 0.2382(5) 0.064(2) Uani 1 1 d U . .
H42A H 1.3205 1.7769 0.2591 0.077 Uiso 1 1 calc R . .
H42B H 1.4120 1.8641 0.2449 0.077 Uiso 1 1 calc R . .
C33 C 1.5645(5) 1.6289(6) 0.2757(4) 0.0528(18) Uani 1 1 d U . .
H33A H 1.6047 1.6982 0.2795 0.063 Uiso 1 1 calc R . .
H33B H 1.6128 1.6094 0.3006 0.063 Uiso 1 1 calc R . .
C7 C 0.8702(5) 1.3217(5) 0.4979(4) 0.0527(18) Uani 1 1 d U . .
H7A H 0.8941 1.3698 0.4708 0.079 Uiso 1 1 calc R . .
H7B H 0.8779 1.2689 0.4821 0.079 Uiso 1 1 calc R . .
H7C H 0.9110 1.3506 0.5494 0.079 Uiso 1 1 calc R . .
C39 C 1.1420(6) 1.4888(6) 0.0627(4) 0.0572(19) Uani 1 1 d U . .
H39A H 1.0842 1.4896 0.0704 0.086 Uiso 1 1 calc R . .
H39B H 1.1691 1.4613 0.0985 0.086 Uiso 1 1 calc R . .
H39C H 1.1183 1.4502 0.0143 0.086 Uiso 1 1 calc R . .
C41 C 1.3257(6) 1.7458(5) 0.1600(4) 0.0592(19) Uani 1 1 d U . .
H41A H 1.2774 1.7654 0.1353 0.071 Uiso 1 1 calc R . .
H41B H 1.3795 1.7658 0.1389 0.071 Uiso 1 1 calc R . .
C43 C 1.4840(6) 1.7951(6) 0.3509(5) 0.064(2) Uani 1 1 d U . .
H43 H 1.4244 1.7583 0.3659 0.077 Uiso 1 1 calc R . .
C40 C 1.1796(7) 1.6350(7) 0.0213(4) 0.068(2) Uani 1 1 d U . .
H40A H 1.2315 1.7020 0.0285 0.102 Uiso 1 1 calc R . .
H40B H 1.1217 1.6312 0.0321 0.102 Uiso 1 1 calc R . .
H40C H 1.1551 1.6009 -0.0289 0.102 Uiso 1 1 calc R . .
C12 C 0.3835(7) 1.0789(7) 0.1710(5) 0.082(3) Uani 1 1 d U . .
H12A H 0.3454 1.1039 0.1864 0.124 Uiso 1 1 calc R . .
H12B H 0.3768 1.0250 0.1917 0.124 Uiso 1 1 calc R . .
H12C H 0.3557 1.0575 0.1184 0.124 Uiso 1 1 calc R . .
C48 C 1.6331(7) 1.6665(8) 0.4299(5) 0.083(3) Uani 1 1 d U . .
H48A H 1.6580 1.6984 0.4807 0.124 Uiso 1 1 calc R . .
H48B H 1.6868 1.6996 0.4103 0.124 Uiso 1 1 calc R . .
H48C H 1.6158 1.6002 0.4257 0.124 Uiso 1 1 calc R . .
O9 O 0.5191(6) 0.5857(6) 0.6595(5) 0.119(3) Uani 1 1 d U . .
C47 C 1.4567(7) 1.6201(7) 0.4218(5) 0.072(2) Uani 1 1 d U . .
H47A H 1.3934 1.6182 0.3950 0.109 Uiso 1 1 calc R . .
H47B H 1.4842 1.6562 0.4718 0.109 Uiso 1 1 calc R . .
H47C H 1.4418 1.5549 0.4210 0.109 Uiso 1 1 calc R . .
C44 C 1.5251(9) 1.9008(8) 0.3795(6) 0.099(3) Uani 1 1 d U . .
H44A H 1.4714 1.9148 0.3580 0.098 Uiso 1 1 calc R . .
H44B H 1.5849 1.9398 0.3670 0.098 Uiso 1 1 calc R . .
H44C H 1.5453 1.9156 0.4320 0.098 Uiso 1 1 calc R . .
C45 C 1.5669(7) 1.7710(7) 0.3885(5) 0.079(3) Uani 1 1 d U . .
H45A H 1.6201 1.7967 0.3669 0.094 Uiso 1 1 calc R . .
H45B H 1.6002 1.8068 0.4397 0.094 Uiso 1 1 calc R . .
O11 O 0.6191(6) 0.7397(6) 0.7236(4) 0.115(2) Uani 1 1 d U . .
C57 C 0.9012(8) 0.7878(8) 0.5849(6) 0.087(3) Uani 1 1 d U . .
N20 N 0.9100(8) 0.8202(8) 0.5389(6) 0.106(3) Uani 1 1 d U . .
C58 C 0.8861(9) 0.7473(9) 0.6431(6) 0.103(3) Uani 1 1 d U . .
Cl2 Cl 0.0761(6) 0.4290(6) 0.8270(4) 0.0467(8) Uani 0.320(6) 1 d PDU A 1
O5 O 0.0879(16) 0.3958(14) 0.8908(8) 0.088(9) Uani 0.320(6) 1 d PDU A 1
O6 O -0.0134(12) 0.3513(11) 0.7680(8) 0.057(6) Uani 0.320(6) 1 d PDU A 1
O7 O 0.1641(12) 0.4640(17) 0.8085(13) 0.183(14) Uani 0.320(6) 1 d PDU A 1
O8 O 0.0501(15) 0.5025(10) 0.8359(10) 0.053(6) Uani 0.320(6) 1 d PDU A 1
Cl2' Cl 0.0317(3) 0.4126(2) 0.82709(17) 0.0467(8) Uani 0.680(6) 1 d PDU A 2
O5' O 0.1089(7) 0.3959(7) 0.8732(5) 0.077(3) Uani 0.680(6) 1 d PDU A 2
O6' O 0.0020(7) 0.3650(7) 0.7539(4) 0.065(3) Uani 0.680(6) 1 d PDU A 2
O7' O 0.0799(9) 0.5137(5) 0.8334(7) 0.107(6) Uani 0.680(6) 1 d PDU A 2
O8' O -0.0541(6) 0.3744(8) 0.8490(5) 0.112(4) Uani 0.680(6) 1 d PDU A 2
N21 N 0.9086(17) 0.2941(17) 0.1505(12) 0.084(5) Uani 0.35 1 d PDU B 1
C59 C 0.955(2) 0.265(2) 0.1790(15) 0.089(5) Uani 0.35 1 d PDU B 1
C60 C 1.026(2) 0.234(2) 0.2147(16) 0.094(5) Uani 0.35 1 d PDU B 1
N21' N 0.859(3) 0.201(3) 0.123(2) 0.066(8) Uani 0.15 1 d PDU C 2
C60' C 0.708(4) 0.101(4) 0.001(2) 0.067(8) Uani 0.15 1 d PDU C 2
C59' C 0.790(3) 0.160(4) 0.073(2) 0.068(8) Uani 0.15 1 d PDU C 2
C56 C 0.8585(8) -0.0412(8) 0.4109(6) 0.069(2) Uani 0.80 1 d PDU D 1
C55 C 0.8185(9) 0.0209(8) 0.4275(6) 0.060(2) Uani 0.80 1 d PDU D 1
N19 N 0.7871(7) 0.0659(6) 0.4359(5) 0.068(2) Uani 0.80 1 d PDU D 1
C56' C 0.841(3) 0.004(5) 0.426(3) 0.082(7) Uani 0.20 1 d PDU E 2
C55' C 0.931(2) -0.006(3) 0.4587(16) 0.081(6) Uani 0.20 1 d PDU E 2
N19' N 1.0000 0.0000 0.5000 0.079(6) Uani 0.40 2 d SPDU . 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'
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'
Ni Ni 0.3393 1.1124 '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'
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
O2B Cl1B O4B 110.3(10) . . ?
O2B Cl1B O3B 108.8(9) . . ?
O4B Cl1B O3B 108.7(9) . . ?
O2B Cl1B O1B 107.7(9) . . ?
O4B Cl1B O1B 113(2) . . ?
O3B Cl1B O1B 108.1(8) . . ?
O1 Cl1 O2 114.8(7) . . ?
O1 Cl1 O4 100.2(11) . . ?
O2 Cl1 O4 110.0(7) . . ?
O1 Cl1 O3 116.4(7) . . ?
O2 Cl1 O3 107.4(7) . . ?
O4 Cl1 O3 107.6(7) . . ?
O4' Cl1' O1' 97.2(12) . . ?
O4' Cl1' O2' 112.1(8) . . ?
O1' Cl1' O2' 112.2(7) . . ?
O4' Cl1' O3' 111.5(7) . . ?
O1' Cl1' O3' 112.0(7) . . ?
O2' Cl1' O3' 111.2(7) . . ?
O4A Cl1A O1A 111.5(7) . . ?
O4A Cl1A O2A 114.5(6) . . ?
O1A Cl1A O2A 107.8(6) . . ?
O4A Cl1A O3A 109.9(6) . . ?
O1A Cl1A O3A 108.2(6) . . ?
O2A Cl1A O3A 104.7(6) . . ?
C53 Ag3 C54 174.2(3) . . ?
N16 Ni3 N17 86.0(2) . . ?
N16 Ni3 N12 86.6(2) . . ?
N17 Ni3 N12 168.7(2) . . ?
N16 Ni3 N10 170.6(2) . . ?
N17 Ni3 N10 88.4(2) . . ?
N12 Ni3 N10 100.0(2) . . ?
N16 Ni3 N11 85.3(2) . . ?
N17 Ni3 N11 103.4(2) . . ?
N12 Ni3 N11 84.41(19) . . ?
N10 Ni3 N11 88.7(2) . . ?
N16 Ni3 N9 103.4(2) . . ?
N17 Ni3 N9 85.7(2) . . ?
N12 Ni3 N9 87.76(19) . . ?
N10 Ni3 N9 83.6(2) . . ?
N11 Ni3 N9 167.9(2) . . ?
C51 Ag2 C52 174.5(2) . . ?
C50 Ag1 C49 175.0(3) . . ?
N14 Ni2 N15 85.4(2) . . ?
N14 Ni2 N6 87.81(19) . . ?
N15 Ni2 N6 168.6(2) . . ?
N14 Ni2 N8 169.92(18) . . ?
N15 Ni2 N8 88.65(19) . . ?
N6 Ni2 N8 99.33(18) . . ?
N14 Ni2 N5 84.6(2) . . ?
N15 Ni2 N5 103.19(19) . . ?
N6 Ni2 N5 85.25(18) . . ?
N8 Ni2 N5 88.84(18) . . ?
N14 Ni2 N7 103.4(2) . . ?
N15 Ni2 N7 84.48(19) . . ?
N6 Ni2 N7 88.21(17) . . ?
N8 Ni2 N7 84.05(17) . . ?
N5 Ni2 N7 169.44(18) . . ?
N13 Ni1 N18 84.7(2) . . ?
N13 Ni1 N2 170.07(19) . . ?
N18 Ni1 N2 87.9(2) . . ?
N13 Ni1 N4 88.1(2) . . ?
N18 Ni1 N4 169.6(2) . . ?
N2 Ni1 N4 100.1(2) . . ?
N13 Ni1 N1 101.91(19) . . ?
N18 Ni1 N1 85.6(2) . . ?
N2 Ni1 N1 83.96(18) . . ?
N4 Ni1 N1 88.64(19) . . ?
N13 Ni1 N3 85.63(19) . . ?
N18 Ni1 N3 102.3(2) . . ?
N2 Ni1 N3 89.61(18) . . ?
N4 Ni1 N3 84.55(19) . . ?
N1 Ni1 N3 169.69(18) . . ?
C18 N8 C19 112.7(5) . . ?
C18 N8 Ni2 105.1(4) . . ?
C19 N8 Ni2 114.8(3) . . ?
C18 N8 H8D 108.0 . . ?
C19 N8 H8D 108.0 . . ?
Ni2 N8 H8D 108.0 . . ?
C9 N3 C6 114.9(5) . . ?
C9 N3 Ni1 104.1(3) . . ?
C6 N3 Ni1 120.5(4) . . ?
C9 N3 H3A 105.4 . . ?
C6 N3 H3A 105.4 . . ?
Ni1 N3 H3A 105.4 . . ?
C2 N2 C3 112.9(5) . . ?
C2 N2 Ni1 104.7(4) . . ?
C3 N2 Ni1 115.3(3) . . ?
C2 N2 H2C 107.9 . . ?
C3 N2 H2C 107.9 . . ?
Ni1 N2 H2C 107.9 . . ?
C11 N4 C10 111.1(5) . . ?
C11 N4 Ni1 116.5(4) . . ?
C10 N4 Ni1 103.4(4) . . ?
C11 N4 H4D 108.5 . . ?
C10 N4 H4D 108.5 . . ?
Ni1 N4 H4D 108.5 . . ?
O10 Cl3 O11 107.0(4) . . ?
O10 Cl3 O12 113.7(4) . . ?
O11 Cl3 O12 109.2(5) . . ?
O10 Cl3 O9 108.2(5) . . ?
O11 Cl3 O9 104.9(5) . . ?
O12 Cl3 O9 113.1(5) . . ?
C52 N16 Ni3 173.7(5) . . ?
C53 N17 Ni3 160.0(5) . . ?
C26 N6 C27 111.9(4) . . ?
C26 N6 Ni2 104.8(3) . . ?
C27 N6 Ni2 116.2(4) . . ?
C26 N6 H6A 107.9 . . ?
C27 N6 H6A 107.9 . . ?
Ni2 N6 H6A 107.9 . . ?
C22 N5 C25 114.0(5) . . ?
C22 N5 Ni2 121.7(4) . . ?
C25 N5 Ni2 104.1(3) . . ?
C22 N5 H5C 105.2 . . ?
C25 N5 H5C 105.2 . . ?
Ni2 N5 H5C 105.2 . . ?
C17 N7 C30 114.2(4) . . ?
C17 N7 Ni2 104.1(3) . . ?
C30 N7 Ni2 121.5(4) . . ?
C17 N7 H7D 105.2 . . ?
C30 N7 H7D 105.2 . . ?
Ni2 N7 H7D 105.2 . . ?
C1 N1 C14 112.8(5) . . ?
C1 N1 Ni1 104.9(4) . . ?
C14 N1 Ni1 121.9(4) . . ?
C1 N1 H1C 105.3 . . ?
C14 N1 H1C 105.3 . . ?
Ni1 N1 H1C 105.3 . . ?
C50 N14 Ni2 159.9(5) . . ?
C33 N11 C46 113.1(5) . . ?
C33 N11 Ni3 103.4(4) . . ?
C46 N11 Ni3 120.3(4) . . ?
C33 N11 H11A 106.4 . . ?
C46 N11 H11A 106.4 . . ?
Ni3 N11 H11A 106.4 . . ?
C49 N13 Ni1 161.7(5) . . ?
C54 N18 Ni1 160.1(6) . . ?
C51 N15 Ni2 156.2(5) . . ?
N6 C27 C28 113.6(5) . . ?
N6 C27 C29 110.8(5) . . ?
C28 C27 C29 107.8(5) . . ?
N6 C27 H27 108.1 . . ?
C28 C27 H27 108.1 . . ?
C29 C27 H27 108.1 . . ?
N15 C51 Ag2 171.3(6) . . ?
C18 C17 N7 110.2(5) . . ?
C18 C17 H17A 109.6 . . ?
N7 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
N7 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C41 N9 C38 113.4(5) . . ?
C41 N9 Ni3 105.5(4) . . ?
C38 N9 Ni3 122.1(4) . . ?
C41 N9 H9C 104.8 . . ?
C38 N9 H9C 104.8 . . ?
Ni3 N9 H9C 104.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 N12 C34 113.4(5) . . ?
C35 N12 Ni3 115.7(4) . . ?
C34 N12 Ni3 104.3(4) . . ?
C35 N12 H12D 107.7 . . ?
C34 N12 H12D 107.7 . . ?
Ni3 N12 H12D 107.7 . . ?
N7 C30 C31 107.7(5) . . ?
N7 C30 C29 109.6(5) . . ?
C31 C30 C29 112.3(5) . . ?
N7 C30 C32 111.5(5) . . ?
C31 C30 C32 107.7(6) . . ?
C29 C30 C32 108.0(5) . . ?
N8 C19 C21 110.4(5) . . ?
N8 C19 C20 112.5(5) . . ?
C21 C19 C20 110.1(5) . . ?
N8 C19 H19 107.9 . . ?
C21 C19 H19 107.9 . . ?
C20 C19 H19 107.9 . . ?
N8 C18 C17 110.0(5) . . ?
N8 C18 H18A 109.7 . . ?
C17 C18 H18A 109.7 . . ?
N8 C18 H18B 109.7 . . ?
C17 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
N6 C26 C25 110.9(5) . . ?
N6 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
N6 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.0 . . ?
C30 C29 C27 119.0(5) . . ?
C30 C29 H29A 107.6 . . ?
C27 C29 H29A 107.6 . . ?
C30 C29 H29B 107.6 . . ?
C27 C29 H29B 107.6 . . ?
H29A C29 H29B 107.0 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C3 C5 C6 118.7(6) . . ?
C3 C5 H5A 107.6 . . ?
C6 C5 H5A 107.6 . . ?
C3 C5 H5B 107.6 . . ?
C6 C5 H5B 107.6 . . ?
H5A C5 H5B 107.1 . . ?
N2 C3 C5 109.9(6) . . ?
N2 C3 C4 113.2(5) . . ?
C5 C3 C4 106.7(6) . . ?
N2 C3 H3 109.0 . . ?
C5 C3 H3 109.0 . . ?
C4 C3 H3 109.0 . . ?
N1 C14 C15 107.5(5) . . ?
N1 C14 C16 112.6(6) . . ?
C15 C14 C16 106.5(5) . . ?
N1 C14 C13 110.3(5) . . ?
C15 C14 C13 112.0(6) . . ?
C16 C14 C13 107.9(5) . . ?
N3 C9 C10 111.8(5) . . ?
N3 C9 H9A 109.3 . . ?
C10 C9 H9A 109.3 . . ?
N3 C9 H9B 109.3 . . ?
C10 C9 H9B 109.3 . . ?
H9A C9 H9B 107.9 . . ?
N5 C22 C24 112.7(6) . . ?
N5 C22 C23 108.1(6) . . ?
C24 C22 C23 107.7(5) . . ?
N5 C22 C21 110.3(5) . . ?
C24 C22 C21 107.2(6) . . ?
C23 C22 C21 110.8(6) . . ?
N3 C6 C7 107.5(5) . . ?
N3 C6 C5 110.4(5) . . ?
C7 C6 C5 112.3(6) . . ?
N3 C6 C8 110.7(6) . . ?
C7 C6 C8 107.6(5) . . ?
C5 C6 C8 108.3(5) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C9 C10 N4 110.6(5) . . ?
C9 C10 H10A 109.5 . . ?
N4 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
N4 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
N1 C1 C2 110.4(5) . . ?
N1 C1 H1A 109.6 . . ?
C2 C1 H1A 109.6 . . ?
N1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
N2 C2 C1 110.7(6) . . ?
N2 C2 H2A 109.5 . . ?
C1 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
C19 C21 C22 118.9(6) . . ?
C19 C21 H21A 107.6 . . ?
C22 C21 H21A 107.6 . . ?
C19 C21 H21B 107.6 . . ?
C22 C21 H21B 107.6 . . ?
H21A C21 H21B 107.0 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C14 C13 C11 119.3(5) . . ?
C14 C13 H13A 107.5 . . ?
C11 C13 H13A 107.5 . . ?
C14 C13 H13B 107.5 . . ?
C11 C13 H13B 107.5 . . ?
H13A C13 H13B 107.0 . . ?
N13 C49 Ag1 176.3(6) . . ?
N5 C25 C26 110.8(6) . . ?
N5 C25 H25A 109.5 . . ?
C26 C25 H25A 109.5 . . ?
N5 C25 H25B 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
N17 C53 Ag3 176.3(6) . . ?
N11 C46 C45 111.0(7) . . ?
N11 C46 C47 106.1(6) . . ?
C45 C46 C47 113.2(7) . . ?
N11 C46 C48 110.7(6) . . ?
C45 C46 C48 108.4(7) . . ?
C47 C46 C48 107.4(7) . . ?
N14 C50 Ag1 172.5(6) . . ?
C43 N10 C42 112.1(6) . . ?
C43 N10 Ni3 116.8(5) . . ?
C42 N10 Ni3 104.6(4) . . ?
C43 N10 H10C 107.6 . . ?
C42 N10 H10C 107.6 . . ?
Ni3 N10 H10C 107.6 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N12 C35 C36 113.8(6) . . ?
N12 C35 C37 112.4(5) . . ?
C36 C35 C37 108.9(5) . . ?
N12 C35 H35 107.1 . . ?
C36 C35 H35 107.1 . . ?
C37 C35 H35 107.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N18 C54 Ag3 174.1(6) . . ?
C33 C34 N12 109.5(5) . . ?
C33 C34 H34A 109.8 . . ?
N12 C34 H34A 109.8 . . ?
C33 C34 H34B 109.8 . . ?
N12 C34 H34B 109.8 . . ?
H34A C34 H34B 108.2 . . ?
N4 C11 C12 111.9(6) . . ?
N4 C11 C13 109.9(6) . . ?
C12 C11 C13 107.3(6) . . ?
N4 C11 H11 109.2 . . ?
C12 C11 H11 109.2 . . ?
C13 C11 H11 109.2 . . ?
C38 C37 C35 119.1(6) . . ?
C38 C37 H37A 107.5 . . ?
C35 C37 H37A 107.5 . . ?
C38 C37 H37B 107.5 . . ?
C35 C37 H37B 107.5 . . ?
H37A C37 H37B 107.0 . . ?
N16 C52 Ag2 179.6(6) . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N9 C38 C40 112.1(6) . . ?
N9 C38 C39 107.5(5) . . ?
C40 C38 C39 108.4(6) . . ?
N9 C38 C37 110.8(6) . . ?
C40 C38 C37 106.6(6) . . ?
C39 C38 C37 111.4(6) . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C41 C42 N10 109.4(6) . . ?
C41 C42 H42A 109.8 . . ?
N10 C42 H42A 109.8 . . ?
C41 C42 H42B 109.8 . . ?
N10 C42 H42B 109.8 . . ?
H42A C42 H42B 108.2 . . ?
C34 C33 N11 110.3(6) . . ?
C34 C33 H33A 109.6 . . ?
N11 C33 H33A 109.6 . . ?
C34 C33 H33B 109.6 . . ?
N11 C33 H33B 109.6 . . ?
H33A C33 H33B 108.1 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N9 C41 C42 111.1(6) . . ?
N9 C41 H41A 109.4 . . ?
C42 C41 H41A 109.4 . . ?
N9 C41 H41B 109.4 . . ?
C42 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
N10 C43 C44 115.3(8) . . ?
N10 C43 C45 111.3(6) . . ?
C44 C43 C45 109.8(7) . . ?
N10 C43 H43 106.7 . . ?
C44 C43 H43 106.7 . . ?
C45 C43 H43 106.7 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C43 120.0(8) . . ?
C46 C45 H45A 107.3 . . ?
C43 C45 H45A 107.3 . . ?
C46 C45 H45B 107.3 . . ?
C43 C45 H45B 107.3 . . ?
H45A C45 H45B 106.9 . . ?
N20 C57 C58 177.3(13) . . ?
O7 Cl2 O5 112.7(8) . . ?
O7 Cl2 O6 110.2(8) . . ?
O5 Cl2 O6 108.8(8) . . ?
O7 Cl2 O8 110.7(8) . . ?
O5 Cl2 O8 109.2(8) . . ?
O6 Cl2 O8 104.9(7) . . ?
O8' Cl2' O6' 110.5(6) . . ?
O8' Cl2' O7' 113.7(6) . . ?
O6' Cl2' O7' 108.8(6) . . ?
O8' Cl2' O5' 108.2(5) . . ?
O6' Cl2' O5' 108.1(5) . . ?
O7' Cl2' O5' 107.4(6) . . ?
N21 C59 C60 173(3) . . ?
N21' C59' C60' 172(5) . . ?
N19 C55 C56 176.3(12) . . ?
N19' C55' C56' 160(4) . . ?
C55' N19' C55' 180(3) 2_756 . ?
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
Cl1B O2B 1.439(10) . ?
Cl1B O4B 1.443(10) . ?
Cl1B O3B 1.448(10) . ?
Cl1B O1B 1.454(10) . ?
Cl1 O1 1.456(8) . ?
Cl1 O2 1.530(8) . ?
Cl1 O4 1.530(9) . ?
Cl1 O3 1.541(8) . ?
Cl1' O4' 1.494(9) . ?
Cl1' O1' 1.502(8) . ?
Cl1' O2' 1.520(8) . ?
Cl1' O3' 1.530(8) . ?
Cl1A O4A 1.386(7) . ?
Cl1A O1A 1.442(7) . ?
Cl1A O2A 1.455(7) . ?
Cl1A O3A 1.477(7) . ?
Ag3 C53 2.045(7) . ?
Ag3 C54 2.052(7) . ?
Ni3 N16 2.045(5) . ?
Ni3 N17 2.060(5) . ?
Ni3 N12 2.122(5) . ?
Ni3 N10 2.124(6) . ?
Ni3 N11 2.156(5) . ?
Ni3 N9 2.168(5) . ?
Ag2 C51 2.028(7) . ?
Ag2 C52 2.043(7) . ?
Ag1 C50 2.053(7) . ?
Ag1 C49 2.053(6) . ?
Ni2 N14 2.079(5) . ?
Ni2 N15 2.080(5) . ?
Ni2 N6 2.109(5) . ?
Ni2 N8 2.121(4) . ?
Ni2 N5 2.157(5) . ?
Ni2 N7 2.160(5) . ?
Ni1 N13 2.062(5) . ?
Ni1 N18 2.077(6) . ?
Ni1 N2 2.116(5) . ?
Ni1 N4 2.119(5) . ?
Ni1 N1 2.163(4) . ?
Ni1 N3 2.179(5) . ?
N8 C18 1.473(8) . ?
N8 C19 1.496(7) . ?
N8 H8D 0.9300 . ?
N3 C9 1.470(9) . ?
N3 C6 1.487(8) . ?
N3 H3A 0.9300 . ?
N2 C2 1.452(8) . ?
N2 C3 1.494(8) . ?
N2 H2C 0.9300 . ?
N4 C11 1.476(9) . ?
N4 C10 1.493(8) . ?
N4 H4D 0.9300 . ?
Cl3 O10 1.391(6) . ?
Cl3 O11 1.409(8) . ?
Cl3 O12 1.414(7) . ?
Cl3 O9 1.444(9) . ?
N16 C52 1.142(8) . ?
N17 C53 1.139(8) . ?
N6 C26 1.471(8) . ?
N6 C27 1.488(7) . ?
N6 H6A 0.9300 . ?
N5 C22 1.475(8) . ?
N5 C25 1.496(8) . ?
N5 H5C 0.9300 . ?
N7 C17 1.496(8) . ?
N7 C30 1.502(8) . ?
N7 H7D 0.9300 . ?
N1 C1 1.466(8) . ?
N1 C14 1.500(8) . ?
N1 H1C 0.9300 . ?
N14 C50 1.133(8) . ?
N11 C33 1.498(8) . ?
N11 C46 1.499(9) . ?
N11 H11A 0.9300 . ?
N13 C49 1.140(7) . ?
N18 C54 1.110(8) . ?
N15 C51 1.156(8) . ?
C27 C28 1.527(9) . ?
C27 C29 1.549(9) . ?
C27 H27 1.0000 . ?
C17 C18 1.487(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
N9 C41 1.452(9) . ?
N9 C38 1.507(9) . ?
N9 H9C 0.9300 . ?
C36 C35 1.533(9) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
N12 C35 1.476(9) . ?
N12 C34 1.495(7) . ?
N12 H12D 0.9300 . ?
C30 C31 1.521(9) . ?
C30 C29 1.530(9) . ?
C30 C32 1.536(9) . ?
C19 C21 1.527(9) . ?
C19 C20 1.538(9) . ?
C19 H19 1.0000 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C26 C25 1.510(9) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C5 C3 1.516(10) . ?
C5 C6 1.537(9) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C3 C4 1.547(10) . ?
C3 H3 1.0000 . ?
C14 C15 1.516(9) . ?
C14 C16 1.518(9) . ?
C14 C13 1.537(10) . ?
C9 C10 1.484(9) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C22 C24 1.513(10) . ?
C22 C23 1.536(9) . ?
C22 C21 1.547(9) . ?
C6 C7 1.511(10) . ?
C6 C8 1.552(10) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C1 C2 1.508(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C13 C11 1.540(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C46 C45 1.516(13) . ?
C46 C47 1.527(12) . ?
C46 C48 1.552(11) . ?
N10 C43 1.396(10) . ?
N10 C42 1.515(9) . ?
N10 H10C 0.9300 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C35 C37 1.543(9) . ?
C35 H35 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C34 C33 1.472(10) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C11 C12 1.512(12) . ?
C11 H11 1.0000 . ?
C37 C38 1.543(9) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C38 C40 1.508(9) . ?
C38 C39 1.524(11) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C42 C41 1.489(11) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C43 C44 1.531(13) . ?
C43 C45 1.560(11) . ?
C43 H43 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C57 N20 1.106(13) . ?
C57 C58 1.409(16) . ?
Cl2 O7 1.411(9) . ?
Cl2 O5 1.424(8) . ?
Cl2 O6 1.462(9) . ?
Cl2 O8 1.470(8) . ?
Cl2' O8' 1.421(7) . ?
Cl2' O6' 1.438(6) . ?
Cl2' O7' 1.439(7) . ?
Cl2' O5' 1.464(6) . ?
N21 C59 1.103(9) . ?
C59 C60 1.484(9) . ?
N21' C59' 1.109(9) . ?
C60' C59' 1.488(9) . ?
C56 C55 1.500(8) . ?
C55 N19 1.100(7) . ?
C56' C55' 1.501(10) . ?
C55' N19' 1.118(10) . ?
N19' C55' 1.118(10) 2_756 ?
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
N14 Ni2 N8 C18 121.3(11) . . . . ?
N15 Ni2 N8 C18 67.7(4) . . . . ?
N6 Ni2 N8 C18 -104.1(4) . . . . ?
N5 Ni2 N8 C18 170.9(4) . . . . ?
N7 Ni2 N8 C18 -16.9(4) . . . . ?
N14 Ni2 N8 C19 -3.0(14) . . . . ?
N15 Ni2 N8 C19 -56.6(4) . . . . ?
N6 Ni2 N8 C19 131.6(4) . . . . ?
N5 Ni2 N8 C19 46.6(4) . . . . ?
N7 Ni2 N8 C19 -141.2(4) . . . . ?
N13 Ni1 N3 C9 -96.9(4) . . . . ?
N18 Ni1 N3 C9 179.5(4) . . . . ?
N2 Ni1 N3 C9 91.8(4) . . . . ?
N4 Ni1 N3 C9 -8.4(4) . . . . ?
N1 Ni1 N3 C9 40.5(13) . . . . ?
N13 Ni1 N3 C6 132.5(4) . . . . ?
N18 Ni1 N3 C6 48.9(4) . . . . ?
N2 Ni1 N3 C6 -38.8(4) . . . . ?
N4 Ni1 N3 C6 -139.0(4) . . . . ?
N1 Ni1 N3 C6 -90.1(12) . . . . ?
N13 Ni1 N2 C2 108.1(11) . . . . ?
N18 Ni1 N2 C2 67.0(4) . . . . ?
N4 Ni1 N2 C2 -106.3(4) . . . . ?
N1 Ni1 N2 C2 -18.7(4) . . . . ?
N3 Ni1 N2 C2 169.3(4) . . . . ?
N13 Ni1 N2 C3 -16.5(14) . . . . ?
N18 Ni1 N2 C3 -57.6(5) . . . . ?
N4 Ni1 N2 C3 129.1(4) . . . . ?
N1 Ni1 N2 C3 -143.4(5) . . . . ?
N3 Ni1 N2 C3 44.7(5) . . . . ?
N13 Ni1 N4 C11 -55.9(5) . . . . ?
N18 Ni1 N4 C11 -9.9(14) . . . . ?
N2 Ni1 N4 C11 129.7(5) . . . . ?
N1 Ni1 N4 C11 46.1(5) . . . . ?
N3 Ni1 N4 C11 -141.7(5) . . . . ?
N13 Ni1 N4 C10 66.2(4) . . . . ?
N18 Ni1 N4 C10 112.2(11) . . . . ?
N2 Ni1 N4 C10 -108.2(4) . . . . ?
N1 Ni1 N4 C10 168.2(4) . . . . ?
N3 Ni1 N4 C10 -19.6(4) . . . . ?
N17 Ni3 N16 C52 -76(5) . . . . ?
N12 Ni3 N16 C52 113(5) . . . . ?
N10 Ni3 N16 C52 -22(5) . . . . ?
N11 Ni3 N16 C52 28(5) . . . . ?
N9 Ni3 N16 C52 -160(5) . . . . ?
N16 Ni3 N17 C53 -38.6(16) . . . . ?
N12 Ni3 N17 C53 11(2) . . . . ?
N10 Ni3 N17 C53 149.0(16) . . . . ?
N11 Ni3 N17 C53 -122.8(16) . . . . ?
N9 Ni3 N17 C53 65.2(16) . . . . ?
N14 Ni2 N6 C26 67.5(4) . . . . ?
N15 Ni2 N6 C26 120.8(9) . . . . ?
N8 Ni2 N6 C26 -105.3(4) . . . . ?
N5 Ni2 N6 C26 -17.3(4) . . . . ?
N7 Ni2 N6 C26 171.0(4) . . . . ?
N14 Ni2 N6 C27 -56.5(4) . . . . ?
N15 Ni2 N6 C27 -3.2(11) . . . . ?
N8 Ni2 N6 C27 130.7(4) . . . . ?
N5 Ni2 N6 C27 -141.3(4) . . . . ?
N7 Ni2 N6 C27 47.0(4) . . . . ?
N14 Ni2 N5 C22 130.7(5) . . . . ?
N15 Ni2 N5 C22 46.7(5) . . . . ?
N6 Ni2 N5 C22 -141.1(5) . . . . ?
N8 Ni2 N5 C22 -41.6(5) . . . . ?
N7 Ni2 N5 C22 -89.1(11) . . . . ?
N14 Ni2 N5 C25 -98.9(4) . . . . ?
N15 Ni2 N5 C25 177.2(4) . . . . ?
N6 Ni2 N5 C25 -10.6(4) . . . . ?
N8 Ni2 N5 C25 88.8(4) . . . . ?
N7 Ni2 N5 C25 41.3(12) . . . . ?
N14 Ni2 N7 C17 174.8(4) . . . . ?
N15 Ni2 N7 C17 -101.3(4) . . . . ?
N6 Ni2 N7 C17 87.5(4) . . . . ?
N8 Ni2 N7 C17 -12.1(4) . . . . ?
N5 Ni2 N7 C17 35.8(11) . . . . ?
N14 Ni2 N7 C30 44.3(4) . . . . ?
N15 Ni2 N7 C30 128.2(4) . . . . ?
N6 Ni2 N7 C30 -43.0(4) . . . . ?
N8 Ni2 N7 C30 -142.6(4) . . . . ?
N5 Ni2 N7 C30 -94.7(10) . . . . ?
N13 Ni1 N1 C1 178.1(4) . . . . ?
N18 Ni1 N1 C1 -98.4(4) . . . . ?
N2 Ni1 N1 C1 -10.0(4) . . . . ?
N4 Ni1 N1 C1 90.3(4) . . . . ?
N3 Ni1 N1 C1 41.7(13) . . . . ?
N13 Ni1 N1 C14 48.4(4) . . . . ?
N18 Ni1 N1 C14 132.0(4) . . . . ?
N2 Ni1 N1 C14 -139.7(4) . . . . ?
N4 Ni1 N1 C14 -39.4(4) . . . . ?
N3 Ni1 N1 C14 -88.0(12) . . . . ?
N15 Ni2 N14 C50 61.2(18) . . . . ?
N6 Ni2 N14 C50 -128.0(18) . . . . ?
N8 Ni2 N14 C50 7(3) . . . . ?
N5 Ni2 N14 C50 -42.6(18) . . . . ?
N7 Ni2 N14 C50 144.3(17) . . . . ?
N16 Ni3 N11 C33 100.3(4) . . . . ?
N17 Ni3 N11 C33 -174.9(4) . . . . ?
N12 Ni3 N11 C33 13.2(4) . . . . ?
N10 Ni3 N11 C33 -86.9(4) . . . . ?
N9 Ni3 N11 C33 -36.6(11) . . . . ?
N16 Ni3 N11 C46 -132.4(5) . . . . ?
N17 Ni3 N11 C46 -47.6(6) . . . . ?
N12 Ni3 N11 C46 140.6(6) . . . . ?
N10 Ni3 N11 C46 40.4(6) . . . . ?
N9 Ni3 N11 C46 90.7(10) . . . . ?
N18 Ni1 N13 C49 50.9(18) . . . . ?
N2 Ni1 N13 C49 10(3) . . . . ?
N4 Ni1 N13 C49 -136.5(18) . . . . ?
N1 Ni1 N13 C49 135.3(18) . . . . ?
N3 Ni1 N13 C49 -51.9(18) . . . . ?
N13 Ni1 N18 C54 60.3(16) . . . . ?
N2 Ni1 N18 C54 -126.3(16) . . . . ?
N4 Ni1 N18 C54 14(2) . . . . ?
N1 Ni1 N18 C54 -42.2(16) . . . . ?
N3 Ni1 N18 C54 144.6(16) . . . . ?
N14 Ni2 N15 C51 43.7(13) . . . . ?
N6 Ni2 N15 C51 -9.8(19) . . . . ?
N8 Ni2 N15 C51 -144.4(13) . . . . ?
N5 Ni2 N15 C51 127.1(12) . . . . ?
N7 Ni2 N15 C51 -60.2(13) . . . . ?
C26 N6 C27 C28 53.6(7) . . . . ?
Ni2 N6 C27 C28 173.9(4) . . . . ?
C26 N6 C27 C29 175.2(5) . . . . ?
Ni2 N6 C27 C29 -64.5(5) . . . . ?
Ni2 N15 C51 Ag2 -34(5) . . . . ?
C52 Ag2 C51 N15 -86(4) . . . . ?
C30 N7 C17 C18 174.7(5) . . . . ?
Ni2 N7 C17 C18 40.0(6) . . . . ?
N16 Ni3 N9 C41 -174.7(4) . . . . ?
N17 Ni3 N9 C41 100.4(4) . . . . ?
N12 Ni3 N9 C41 -88.7(4) . . . . ?
N10 Ni3 N9 C41 11.6(4) . . . . ?
N11 Ni3 N9 C41 -39.2(11) . . . . ?
N16 Ni3 N9 C38 -43.4(5) . . . . ?
N17 Ni3 N9 C38 -128.3(5) . . . . ?
N12 Ni3 N9 C38 42.6(5) . . . . ?
N10 Ni3 N9 C38 142.9(5) . . . . ?
N11 Ni3 N9 C38 92.1(10) . . . . ?
N16 Ni3 N12 C35 55.8(4) . . . . ?
N17 Ni3 N12 C35 6.6(12) . . . . ?
N10 Ni3 N12 C35 -130.9(4) . . . . ?
N11 Ni3 N12 C35 141.4(4) . . . . ?
N9 Ni3 N12 C35 -47.8(4) . . . . ?
N16 Ni3 N12 C34 -69.5(4) . . . . ?
N17 Ni3 N12 C34 -118.7(10) . . . . ?
N10 Ni3 N12 C34 103.8(4) . . . . ?
N11 Ni3 N12 C34 16.1(4) . . . . ?
N9 Ni3 N12 C34 -173.1(4) . . . . ?
C17 N7 C30 C31 164.1(5) . . . . ?
Ni2 N7 C30 C31 -69.9(6) . . . . ?
C17 N7 C30 C29 -73.4(6) . . . . ?
Ni2 N7 C30 C29 52.6(6) . . . . ?
C17 N7 C30 C32 46.1(7) . . . . ?
Ni2 N7 C30 C32 172.1(4) . . . . ?
C18 N8 C19 C21 174.2(5) . . . . ?
Ni2 N8 C19 C21 -65.7(6) . . . . ?
C18 N8 C19 C20 50.7(7) . . . . ?
Ni2 N8 C19 C20 170.9(5) . . . . ?
C19 N8 C18 C17 170.1(5) . . . . ?
Ni2 N8 C18 C17 44.5(5) . . . . ?
N7 C17 C18 N8 -59.6(7) . . . . ?
C27 N6 C26 C25 170.0(5) . . . . ?
Ni2 N6 C26 C25 43.3(6) . . . . ?
N7 C30 C29 C27 -61.8(7) . . . . ?
C31 C30 C29 C27 57.9(7) . . . . ?
C32 C30 C29 C27 176.5(5) . . . . ?
N6 C27 C29 C30 70.3(7) . . . . ?
C28 C27 C29 C30 -164.7(5) . . . . ?
C2 N2 C3 C5 174.6(5) . . . . ?
Ni1 N2 C3 C5 -65.1(6) . . . . ?
C2 N2 C3 C4 55.4(8) . . . . ?
Ni1 N2 C3 C4 175.7(5) . . . . ?
C6 C5 C3 N2 74.6(7) . . . . ?
C6 C5 C3 C4 -162.3(6) . . . . ?
C1 N1 C14 C15 160.5(6) . . . . ?
Ni1 N1 C14 C15 -73.3(6) . . . . ?
C1 N1 C14 C16 43.5(7) . . . . ?
Ni1 N1 C14 C16 169.7(4) . . . . ?
C1 N1 C14 C13 -77.1(6) . . . . ?
Ni1 N1 C14 C13 49.0(6) . . . . ?
C6 N3 C9 C10 170.4(5) . . . . ?
Ni1 N3 C9 C10 36.5(6) . . . . ?
C25 N5 C22 C24 44.2(7) . . . . ?
Ni2 N5 C22 C24 170.3(4) . . . . ?
C25 N5 C22 C23 163.2(5) . . . . ?
Ni2 N5 C22 C23 -70.8(6) . . . . ?
C25 N5 C22 C21 -75.6(7) . . . . ?
Ni2 N5 C22 C21 50.5(7) . . . . ?
C9 N3 C6 C7 160.9(5) . . . . ?
Ni1 N3 C6 C7 -73.4(5) . . . . ?
C9 N3 C6 C5 -76.3(7) . . . . ?
Ni1 N3 C6 C5 49.4(7) . . . . ?
C9 N3 C6 C8 43.7(7) . . . . ?
Ni1 N3 C6 C8 169.4(4) . . . . ?
C3 C5 C6 N3 -64.8(8) . . . . ?
C3 C5 C6 C7 55.2(8) . . . . ?
C3 C5 C6 C8 173.9(6) . . . . ?
N3 C9 C10 N4 -58.9(7) . . . . ?
C11 N4 C10 C9 171.5(5) . . . . ?
Ni1 N4 C10 C9 45.8(6) . . . . ?
C14 N1 C1 C2 171.8(5) . . . . ?
Ni1 N1 C1 C2 37.0(6) . . . . ?
C3 N2 C2 C1 171.1(5) . . . . ?
Ni1 N2 C2 C1 45.0(6) . . . . ?
N1 C1 C2 N2 -58.3(7) . . . . ?
N8 C19 C21 C22 72.0(7) . . . . ?
C20 C19 C21 C22 -163.1(6) . . . . ?
N5 C22 C21 C19 -61.8(8) . . . . ?
C24 C22 C21 C19 175.1(6) . . . . ?
C23 C22 C21 C19 57.8(7) . . . . ?
N1 C14 C13 C11 -61.6(8) . . . . ?
C15 C14 C13 C11 58.1(8) . . . . ?
C16 C14 C13 C11 175.0(6) . . . . ?
Ni1 N13 C49 Ag1 -19(11) . . . . ?
C50 Ag1 C49 N13 -7(12) . . . . ?
C22 N5 C25 C26 172.0(5) . . . . ?
Ni2 N5 C25 C26 37.1(6) . . . . ?
N6 C26 C25 N5 -57.1(7) . . . . ?
Ni3 N17 C53 Ag3 49(9) . . . . ?
C54 Ag3 C53 N17 30(10) . . . . ?
C33 N11 C46 C45 73.0(7) . . . . ?
Ni3 N11 C46 C45 -49.7(8) . . . . ?
C33 N11 C46 C47 -163.6(6) . . . . ?
Ni3 N11 C46 C47 73.6(7) . . . . ?
C33 N11 C46 C48 -47.4(9) . . . . ?
Ni3 N11 C46 C48 -170.1(6) . . . . ?
Ni2 N14 C50 Ag1 14(7) . . . . ?
C49 Ag1 C50 N14 -144(4) . . . . ?
N16 Ni3 N10 C43 2.3(15) . . . . ?
N17 Ni3 N10 C43 55.8(5) . . . . ?
N12 Ni3 N10 C43 -131.8(5) . . . . ?
N11 Ni3 N10 C43 -47.7(5) . . . . ?
N9 Ni3 N10 C43 141.7(5) . . . . ?
N16 Ni3 N10 C42 -122.3(12) . . . . ?
N17 Ni3 N10 C42 -68.7(5) . . . . ?
N12 Ni3 N10 C42 103.7(5) . . . . ?
N11 Ni3 N10 C42 -172.2(5) . . . . ?
N9 Ni3 N10 C42 17.1(5) . . . . ?
C34 N12 C35 C36 -49.5(7) . . . . ?
Ni3 N12 C35 C36 -169.9(4) . . . . ?
C34 N12 C35 C37 -173.8(6) . . . . ?
Ni3 N12 C35 C37 65.7(6) . . . . ?
Ni1 N18 C54 Ag3 -6(7) . . . . ?
C53 Ag3 C54 N18 -99(6) . . . . ?
C35 N12 C34 C33 -171.3(6) . . . . ?
Ni3 N12 C34 C33 -44.6(6) . . . . ?
C10 N4 C11 C12 57.6(8) . . . . ?
Ni1 N4 C11 C12 175.7(6) . . . . ?
C10 N4 C11 C13 176.8(5) . . . . ?
Ni1 N4 C11 C13 -65.2(6) . . . . ?
C14 C13 C11 N4 72.0(8) . . . . ?
C14 C13 C11 C12 -166.1(7) . . . . ?
N12 C35 C37 C38 -68.3(9) . . . . ?
C36 C35 C37 C38 164.6(7) . . . . ?
Ni3 N16 C52 Ag2 -97(100) . . . . ?
C51 Ag2 C52 N16 -112(100) . . . . ?
C41 N9 C38 C40 -41.3(8) . . . . ?
Ni3 N9 C38 C40 -169.2(5) . . . . ?
C41 N9 C38 C39 -160.4(6) . . . . ?
Ni3 N9 C38 C39 71.7(6) . . . . ?
C41 N9 C38 C37 77.7(7) . . . . ?
Ni3 N9 C38 C37 -50.2(7) . . . . ?
C35 C37 C38 N9 57.5(9) . . . . ?
C35 C37 C38 C40 179.8(7) . . . . ?
C35 C37 C38 C39 -62.1(9) . . . . ?
C43 N10 C42 C41 -171.1(7) . . . . ?
Ni3 N10 C42 C41 -43.6(7) . . . . ?
N12 C34 C33 N11 61.4(7) . . . . ?
C46 N11 C33 C34 -174.0(5) . . . . ?
Ni3 N11 C33 C34 -42.3(6) . . . . ?
C38 N9 C41 C42 -175.9(5) . . . . ?
Ni3 N9 C41 C42 -39.8(6) . . . . ?
N10 C42 C41 N9 58.7(8) . . . . ?
C42 N10 C43 C44 -49.1(10) . . . . ?
Ni3 N10 C43 C44 -169.7(6) . . . . ?
C42 N10 C43 C45 -174.9(7) . . . . ?
Ni3 N10 C43 C45 64.5(8) . . . . ?
N11 C46 C45 C43 59.5(10) . . . . ?
C47 C46 C45 C43 -59.7(10) . . . . ?
C48 C46 C45 C43 -178.7(8) . . . . ?
N10 C43 C45 C46 -69.4(11) . . . . ?
C44 C43 C45 C46 161.8(9) . . . . ?
C56' C55' N19' C55' 159(100) . . . 2_756 ?
