#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:42:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179390 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/87/4328761.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_4328761
loop_
_publ_author_name
'Ke-Zhao Du'
'Mei-Ling Feng'
'Long-Hua Li'
'Bing Hu'
'Zu-Ju Ma'
'Peng Wang'
'Jian-Rong Li'
'Yu-Long Wang'
'Guo-Dong Zou'
'Xiao-Ying Huang'
_publ_contact_author_address
;
State Key Laboratory of Structural Chemistry
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian 350002
P. R. China
;
_publ_contact_author_email       xyhuang@fjirsm.ac.cn
_publ_contact_author_fax         86-59183793727
_publ_contact_author_name        'Prof Xiao-Ying Huang'
_publ_contact_author_phone       86-59183793727
_publ_section_title
;
 [Ni(phen)₃]₂Sb₁₈S₂₉: A Novel Three-Dimensional Framework
 Thioantimonate(III) Templated by [Ni(phen)₃] Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3926
_journal_page_last               3928
_journal_paper_doi               10.1021/ic202246q
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'S29 Sb18, 2(C36 H24 N6 Ni)'
_chemical_formula_sum            'C72 H48 N12 Ni2 S29 Sb18'
_chemical_formula_weight         4319.88
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.5568(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.17374(16)
_cell_length_b                   41.2997(5)
_cell_length_c                   12.37007(19)
_cell_measurement_reflns_used    12916
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5427
_cell_measurement_theta_min      2.3780
_cell_volume                     5471.76(14)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Xcalibur, Eos'
_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  0.0230
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25504
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    5.293
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.622
_exptl_crystal_description       block
_exptl_crystal_F_000             4004
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.233
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.131
_refine_ls_abs_structure_details 'Flack H D (1983), 5671 Friedel pairs'
_refine_ls_abs_structure_Flack   0.066(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1199
_refine_ls_number_reflns         17271
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0304
_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)+(0.0380P)²+1.5000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0729
_reflns_number_gt                16490
_reflns_number_total             17271
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202246q_si_002.cif
_cod_data_source_block           compound-1
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4328761
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Sb1 Sb 0.29914(5) 0.402663(14) -0.10286(4) 0.02355(12) Uani 1 1 d .
Sb2 Sb 0.23060(5) 0.348301(14) 0.09757(4) 0.02340(12) Uani 1 1 d .
Sb3 Sb -0.08715(6) 0.013254(16) 0.59826(5) 0.03231(14) Uani 1 1 d .
Sb4 Sb -0.30867(6) 0.080429(18) 0.50253(7) 0.0491(2) Uani 1 1 d .
Sb5 Sb 0.01445(7) 0.101101(18) 0.54816(6) 0.04472(18) Uani 1 1 d .
Sb6 Sb 0.43740(5) 0.239168(15) 0.58956(5) 0.02866(14) Uani 1 1 d .
Sb7 Sb 0.53249(6) 0.162504(18) 0.49118(6) 0.04291(17) Uani 1 1 d .
Sb8 Sb 0.22408(7) 0.162779(19) 0.53963(6) 0.04451(18) Uani 1 1 d .
Sb9 Sb 0.39673(5) 0.393680(13) 0.44667(4) 0.02057(12) Uani 1 1 d .
Sb10 Sb 0.07477(5) 0.429146(14) 0.26598(4) 0.02114(12) Uani 1 1 d .
Sb11 Sb -0.04676(5) 0.331667(13) 0.25335(5) 0.02167(12) Uani 1 1 d .
Sb12 Sb -0.20660(5) 0.402032(15) 0.37114(5) 0.02492(13) Uani 1 1 d .
Sb13 Sb 0.13295(5) 0.357525(14) 0.54820(4) 0.02083(12) Uani 1 1 d .
Sb14 Sb 0.45485(5) 0.322173(13) 0.72881(4) 0.02042(12) Uani 1 1 d .
Sb15 Sb 0.73604(5) 0.349477(14) 0.62346(5) 0.02433(13) Uani 1 1 d .
Sb16 Sb 0.57606(5) 0.419702(13) 0.74115(4) 0.02138(12) Uani 1 1 d .
Sb17 Sb 0.47351(5) 0.433132(14) 0.19044(5) 0.02295(12) Uani 1 1 d .
Sb18 Sb 1.05574(5) 0.318096(14) 0.80400(5) 0.02252(12) Uani 1 1 d .
S1 S 0.71554(19) 0.37317(6) 0.79870(18) 0.0271(5) Uani 1 1 d .
S2 S 0.37453(18) 0.39511(5) 0.69568(18) 0.0250(5) Uani 1 1 d .
S3 S 0.5133(2) 0.41647(7) 0.01247(19) 0.0372(6) Uani 1 1 d .
S4 S 0.32215(19) 0.34465(6) -0.07455(17) 0.0257(5) Uani 1 1 d .
S5 S 0.49308(19) 0.38104(5) 0.28891(17) 0.0241(4) Uani 1 1 d .
S6 S 0.20754(19) 0.40630(6) 0.06971(17) 0.0258(5) Uani 1 1 d .
S7 S 1.0165(2) 0.33471(7) 0.98214(19) 0.0375(6) Uani 1 1 d .
S8 S 0.58620(19) 0.42401(6) 0.54573(18) 0.0284(5) Uani 1 1 d .
S9 S 0.28843(18) 0.44498(5) 0.37180(18) 0.0244(5) Uani 1 1 d .
S10 S 0.15503(18) 0.35619(5) 0.29894(17) 0.0252(5) Uani 1 1 d .
S11 S 0.00462(18) 0.42670(6) 0.43925(17) 0.0257(5) Uani 1 1 d .
S12 S -0.18634(19) 0.37816(6) 0.19563(18) 0.0282(5) Uani 1 1 d .
S13 S -0.30460(19) 0.45078(6) 0.27353(19) 0.0290(5) Uani 1 1 d .
S14 S 0.0230(2) 0.48700(6) 0.2169(2) 0.0381(6) Uani 1 1 d .
S15 S -0.2587(2) 0.03916(7) 0.6485(3) 0.0491(7) Uani 1 1 d .
S16 S 0.0757(2) 0.05412(6) 0.6709(2) 0.0355(6) Uani 1 1 d .
S17 S -0.1624(3) 0.12163(7) 0.6065(3) 0.0556(8) Uani 1 1 d .
S18 S -0.1794(3) 0.06084(7) 0.3953(2) 0.0494(7) Uani 1 1 d .
S19 S -0.05688(18) 0.32722(6) 0.44911(17) 0.0283(5) Uani 1 1 d .
S20 S 0.03668(19) 0.37026(5) 0.70609(17) 0.0246(4) Uani 1 1 d .
S21 S 0.24139(18) 0.30628(5) 0.62277(18) 0.0244(5) Uani 1 1 d .
S22 S 0.52524(18) 0.32470(6) 0.55534(17) 0.0241(4) Uani 1 1 d .
S23 S 0.8341(2) 0.30088(6) 0.72052(19) 0.0286(5) Uani 1 1 d .
S24 S 0.5081(2) 0.26456(6) 0.77712(19) 0.0331(5) Uani 1 1 d .
S25 S 0.2835(2) 0.20975(7) 0.6582(2) 0.0393(6) Uani 1 1 d .
S26 S 0.6081(2) 0.20028(6) 0.6490(2) 0.0355(6) Uani 1 1 d .
S27 S 0.4115(3) 0.12916(7) 0.5859(3) 0.0610(9) Uani 1 1 d .
S28 S 0.3672(2) 0.19391(7) 0.3839(2) 0.0428(6) Uani 1 1 d .
S29 S 0.1543(4) 0.13722(10) 0.6913(3) 0.0809(13) Uani 1 1 d .
Ni1 Ni -0.12360(10) 0.21268(3) 0.10978(9) 0.0232(2) Uani 1 1 d .
N1 N 0.8012(6) 0.56644(19) -0.0258(6) 0.0272(17) Uani 1 1 d .
N2 N 0.5725(6) 0.58420(19) -0.1468(6) 0.0283(17) Uani 1 1 d .
N3 N 0.5758(6) 0.5325(2) 0.0196(6) 0.0308(18) Uani 1 1 d .
N4 N 0.4854(6) 0.51290(17) -0.1948(6) 0.0255(16) Uani 1 1 d .
N5 N 0.7501(6) 0.49501(18) -0.0896(6) 0.0268(17) Uani 1 1 d .
N6 N 0.7098(6) 0.53735(19) -0.2632(6) 0.0263(16) Uani 1 1 d .
C1 C 0.9129(8) 0.5575(3) 0.0352(7) 0.036(2) Uani 1 1 d .
H1 H 0.9325 0.5356 0.0376 0.043 Uiso 1 1 calc R
C2 C 1.0043(9) 0.5789(3) 0.0968(8) 0.043(3) Uani 1 1 d .
H2 H 1.0814 0.5713 0.1403 0.051 Uiso 1 1 calc R
C3 C 0.9765(9) 0.6109(3) 0.0909(8) 0.045(3) Uani 1 1 d .
H3 H 1.0354 0.6258 0.1303 0.054 Uiso 1 1 calc R
C4 C 0.8594(9) 0.6216(2) 0.0256(7) 0.033(2) Uani 1 1 d .
C5 C 0.7746(8) 0.5984(3) -0.0308(7) 0.031(2) Uani 1 1 d .
C6 C 0.8231(10) 0.6552(3) 0.0140(9) 0.052(3) Uani 1 1 d .
H6 H 0.8790 0.6708 0.0531 0.062 Uiso 1 1 calc R
C7 C 0.7121(10) 0.6646(3) -0.0507(9) 0.046(3) Uani 1 1 d .
H7 H 0.6925 0.6865 -0.0580 0.055 Uiso 1 1 calc R
C8 C 0.6213(9) 0.6409(2) -0.1103(8) 0.036(2) Uani 1 1 d .
C9 C 0.6535(8) 0.6083(2) -0.0979(7) 0.029(2) Uani 1 1 d .
C10 C 0.5003(10) 0.6487(2) -0.1774(8) 0.039(2) Uani 1 1 d .
H10 H 0.4764 0.6703 -0.1891 0.047 Uiso 1 1 calc R
C11 C 0.4186(9) 0.6251(3) -0.2249(8) 0.039(2) Uani 1 1 d .
H11 H 0.3382 0.6300 -0.2686 0.047 Uiso 1 1 calc R
C12 C 0.4587(9) 0.5925(3) -0.2063(7) 0.039(2) Uani 1 1 d .
H12 H 0.4022 0.5761 -0.2376 0.046 Uiso 1 1 calc R
C13 C 0.6237(9) 0.5413(3) 0.1261(7) 0.038(2) Uani 1 1 d .
H13 H 0.7010 0.5515 0.1467 0.045 Uiso 1 1 calc R
C14 C 0.5636(12) 0.5359(3) 0.2083(9) 0.056(3) Uani 1 1 d .
H14 H 0.6000 0.5426 0.2821 0.067 Uiso 1 1 calc R
C15 C 0.4503(11) 0.5205(3) 0.1798(9) 0.051(3) Uani 1 1 d .
H15 H 0.4100 0.5163 0.2345 0.061 Uiso 1 1 calc R
C16 C 0.3954(9) 0.5113(2) 0.0669(9) 0.038(2) Uani 1 1 d .
C17 C 0.4652(8) 0.5173(2) -0.0085(8) 0.028(2) Uani 1 1 d .
C18 C 0.2765(10) 0.4953(3) 0.0284(12) 0.056(3) Uani 1 1 d .
H18 H 0.2304 0.4911 0.0786 0.067 Uiso 1 1 calc R
C19 C 0.2322(9) 0.4866(3) -0.0802(11) 0.047(3) Uani 1 1 d .
H19 H 0.1537 0.4771 -0.1041 0.057 Uiso 1 1 calc R
C20 C 0.2983(9) 0.4912(2) -0.1586(10) 0.042(3) Uani 1 1 d .
C21 C 0.4159(8) 0.5069(2) -0.1240(7) 0.0253(19) Uani 1 1 d .
C22 C 0.2637(9) 0.4794(2) -0.2708(10) 0.047(3) Uani 1 1 d .
H22 H 0.1887 0.4682 -0.2975 0.057 Uiso 1 1 calc R
C23 C 0.3348(9) 0.4837(2) -0.3388(9) 0.042(3) Uani 1 1 d .
H23 H 0.3105 0.4752 -0.4115 0.051 Uiso 1 1 calc R
C24 C 0.4449(9) 0.5007(2) -0.3020(8) 0.038(2) Uani 1 1 d .
H24 H 0.4930 0.5041 -0.3512 0.046 Uiso 1 1 calc R
C25 C 0.7656(8) 0.4729(2) -0.0071(8) 0.037(2) Uani 1 1 d .
H25 H 0.7299 0.4768 0.0510 0.044 Uiso 1 1 calc R
C26 C 0.8334(9) 0.4439(2) -0.0043(9) 0.038(2) Uani 1 1 d .
H26 H 0.8411 0.4291 0.0540 0.045 Uiso 1 1 calc R
C27 C 0.8850(8) 0.4381(2) -0.0848(10) 0.041(3) Uani 1 1 d .
H27 H 0.9320 0.4194 -0.0825 0.050 Uiso 1 1 calc R
C28 C 0.8705(8) 0.4598(2) -0.1744(8) 0.036(2) Uani 1 1 d .
C29 C 0.8024(7) 0.4877(2) -0.1737(7) 0.028(2) Uani 1 1 d .
C30 C 0.9145(9) 0.4540(3) -0.2726(11) 0.052(3) Uani 1 1 d .
H30 H 0.9590 0.4351 -0.2751 0.062 Uiso 1 1 calc R
C31 C 0.8940(10) 0.4746(3) -0.3594(10) 0.053(3) Uani 1 1 d .
H31 H 0.9277 0.4704 -0.4185 0.064 Uiso 1 1 calc R
C32 C 0.8216(10) 0.5029(3) -0.3621(9) 0.046(3) Uani 1 1 d .
C33 C 0.7786(7) 0.5099(2) -0.2667(7) 0.029(2) Uani 1 1 d .
C34 C 0.7936(13) 0.5252(3) -0.4478(10) 0.064(4) Uani 1 1 d .
H34 H 0.8220 0.5218 -0.5107 0.076 Uiso 1 1 calc R
C35 C 0.7255(12) 0.5519(3) -0.4426(9) 0.059(3) Uani 1 1 d .
H35 H 0.7073 0.5667 -0.5017 0.071 Uiso 1 1 calc R
Ni2 Ni 0.65026(9) 0.53807(3) -0.11620(9) 0.0229(2) Uani 1 1 d .
N7 N -0.0508(6) 0.21845(18) -0.0259(6) 0.0258(16) Uani 1 1 d .
N8 N 0.0419(6) 0.23755(19) 0.1897(6) 0.0262(16) Uani 1 1 d .
N9 N -0.2228(6) 0.25620(19) 0.0811(6) 0.0290(17) Uani 1 1 d .
N10 N -0.1848(7) 0.21440(18) 0.2538(6) 0.0279(17) Uani 1 1 d .
N11 N -0.2725(7) 0.1842(2) 0.0215(6) 0.0334(18) Uani 1 1 d .
N12 N -0.0483(6) 0.16605(18) 0.1497(6) 0.0271(16) Uani 1 1 d .
C36 C 0.6829(10) 0.5573(2) -0.3491(8) 0.040(2) Uani 1 1 d .
H36 H 0.6341 0.5754 -0.3475 0.048 Uiso 1 1 calc R
C37 C -0.0975(9) 0.2106(3) -0.1329(8) 0.039(2) Uani 1 1 d .
H37 H -0.1747 0.2004 -0.1535 0.047 Uiso 1 1 calc R
C38 C -0.0418(11) 0.2164(3) -0.2164(8) 0.049(3) Uani 1 1 d .
H38 H -0.0812 0.2106 -0.2908 0.059 Uiso 1 1 calc R
C39 C 0.0712(10) 0.2306(3) -0.1880(9) 0.050(3) Uani 1 1 d .
H39 H 0.1124 0.2340 -0.2427 0.060 Uiso 1 1 calc R
C40 C 0.1283(9) 0.2404(2) -0.0746(9) 0.038(2) Uani 1 1 d .
C41 C 0.0643(8) 0.2337(2) 0.0031(7) 0.0255(19) Uani 1 1 d .
C42 C 0.2500(10) 0.2544(3) -0.0369(10) 0.049(3) Uani 1 1 d .
H42 H 0.2980 0.2564 -0.0869 0.059 Uiso 1 1 calc R
C43 C 0.2958(10) 0.2646(3) 0.0697(11) 0.051(3) Uani 1 1 d .
H43 H 0.3731 0.2748 0.0913 0.061 Uiso 1 1 calc R
C44 C 0.2268(9) 0.2599(2) 0.1528(9) 0.040(3) Uani 1 1 d .
C45 C 0.1121(8) 0.2439(2) 0.1189(7) 0.027(2) Uani 1 1 d .
C46 C 0.2668(9) 0.2715(3) 0.2637(10) 0.048(3) Uani 1 1 d .
H46 H 0.3423 0.2824 0.2897 0.058 Uiso 1 1 calc R
C47 C 0.1943(10) 0.2665(3) 0.3314(10) 0.050(3) Uani 1 1 d .
H47 H 0.2178 0.2748 0.4044 0.060 Uiso 1 1 calc R
C48 C 0.0804(9) 0.2484(2) 0.2923(8) 0.035(2) Uani 1 1 d .
H48 H 0.0331 0.2443 0.3416 0.042 Uiso 1 1 calc R
C49 C -0.2350(8) 0.2767(2) -0.0026(8) 0.032(2) Uani 1 1 d .
H49 H -0.1999 0.2717 -0.0603 0.039 Uiso 1 1 calc R
C50 C -0.3007(10) 0.3064(2) -0.0068(9) 0.046(3) Uani 1 1 d .
H50 H -0.3058 0.3209 -0.0655 0.055 Uiso 1 1 calc R
C51 C -0.3565(9) 0.3136(3) 0.0759(11) 0.051(3) Uani 1 1 d .
H51 H -0.4038 0.3323 0.0712 0.061 Uiso 1 1 calc R
C52 C -0.3410(8) 0.2919(2) 0.1697(10) 0.041(3) Uani 1 1 d .
C53 C -0.2729(7) 0.2639(2) 0.1658(8) 0.0262(19) Uani 1 1 d .
C54 C -0.3838(9) 0.2991(3) 0.2616(11) 0.055(3) Uani 1 1 d .
H54 H -0.4322 0.3174 0.2605 0.066 Uiso 1 1 calc R
C55 C -0.3552(12) 0.2792(3) 0.3541(11) 0.058(3) Uani 1 1 d .
H55 H -0.3814 0.2847 0.4167 0.069 Uiso 1 1 calc R
C56 C -0.2860(11) 0.2502(3) 0.3555(9) 0.048(3) Uani 1 1 d .
C57 C -0.2469(8) 0.2416(3) 0.2604(8) 0.034(2) Uani 1 1 d .
C58 C -0.2488(13) 0.2304(3) 0.4495(10) 0.065(4) Uani 1 1 d .
H58 H -0.2647 0.2364 0.5166 0.078 Uiso 1 1 calc R
C59 C -0.1884(13) 0.2021(3) 0.4428(10) 0.062(4) Uani 1 1 d .
H59 H -0.1680 0.1877 0.5033 0.075 Uiso 1 1 calc R
C60 C -0.1573(11) 0.1949(3) 0.3422(8) 0.045(3) Uani 1 1 d .
H60 H -0.1157 0.1756 0.3381 0.055 Uiso 1 1 calc R
C61 C -0.3833(8) 0.1939(3) -0.0458(8) 0.040(2) Uani 1 1 d .
H61 H -0.3999 0.2160 -0.0546 0.048 Uiso 1 1 calc R
C62 C -0.4766(10) 0.1714(3) -0.1044(9) 0.049(3) Uani 1 1 d .
H62 H -0.5535 0.1786 -0.1495 0.059 Uiso 1 1 calc R
C63 C -0.4501(10) 0.1385(3) -0.0928(9) 0.053(3) Uani 1 1 d .
H63 H -0.5084 0.1237 -0.1333 0.064 Uiso 1 1 calc R
C64 C -0.3361(10) 0.1273(3) -0.0206(9) 0.042(3) Uani 1 1 d .
C65 C -0.2507(8) 0.1514(2) 0.0333(7) 0.0267(19) Uani 1 1 d .
C66 C -0.3041(12) 0.0942(3) 0.0036(10) 0.053(3) Uani 1 1 d .
H66 H -0.3588 0.0779 -0.0321 0.063 Uiso 1 1 calc R
C67 C -0.1941(12) 0.0865(3) 0.0785(10) 0.057(3) Uani 1 1 d .
H67 H -0.1775 0.0647 0.0954 0.069 Uiso 1 1 calc R
C68 C -0.1059(10) 0.1085(2) 0.1309(8) 0.038(2) Uani 1 1 d .
C69 C -0.1302(9) 0.1419(2) 0.1060(7) 0.029(2) Uani 1 1 d .
C70 C 0.0113(10) 0.1021(3) 0.2037(9) 0.051(3) Uani 1 1 d .
H70 H 0.0324 0.0808 0.2247 0.061 Uiso 1 1 calc R
C71 C 0.0961(10) 0.1256(3) 0.2455(8) 0.044(3) Uani 1 1 d .
H71 H 0.1748 0.1205 0.2925 0.053 Uiso 1 1 calc R
C72 C 0.0625(9) 0.1578(3) 0.2162(8) 0.038(2) Uani 1 1 d .
H72 H 0.1206 0.1741 0.2448 0.045 Uiso 1 1 calc R
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'
S S 0.1246 0.1234 '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'
Sb Sb -0.5866 1.5461 '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
S4 Sb1 S3 95.68(9) . .
S4 Sb1 S6 89.37(7) . .
S3 Sb1 S6 93.16(7) . .
S4 Sb1 S2 88.44(7) . 1_554
S3 Sb1 S2 92.91(7) . 1_554
S6 Sb1 S2 173.73(7) . 1_554
S6 Sb2 S7 95.51(9) . 1_454
S6 Sb2 S4 89.52(7) . .
S7 Sb2 S4 93.17(7) 1_454 .
S6 Sb2 S10 88.02(7) . .
S7 Sb2 S10 92.94(7) 1_454 .
S4 Sb2 S10 173.60(7) . .
S15 Sb3 S14 89.92(10) . 2_546
S15 Sb3 S16 99.24(10) . .
S14 Sb3 S16 88.49(8) 2_546 .
S18 Sb4 S15 97.42(10) . .
S18 Sb4 S17 96.27(11) . .
S15 Sb4 S17 96.87(10) . .
S16 Sb5 S17 101.53(9) . .
S16 Sb5 S29 91.48(11) . .
S17 Sb5 S29 88.78(12) . .
S26 Sb6 S25 97.74(9) . .
S26 Sb6 S24 89.03(8) . .
S25 Sb6 S24 87.30(9) . .
S28 Sb7 S27 97.40(11) . .
S28 Sb7 S26 97.82(9) . .
S27 Sb7 S26 95.09(10) . .
S25 Sb8 S27 104.27(10) . .
S25 Sb8 S29 88.47(10) . .
S27 Sb8 S29 90.82(14) . .
S8 Sb9 S9 90.57(7) . .
S8 Sb9 S5 89.67(7) . .
S9 Sb9 S5 99.04(7) . .
S9 Sb10 S11 92.79(7) . .
S9 Sb10 S14 89.85(8) . .
S11 Sb10 S14 98.08(8) . .
S10 Sb11 S12 102.49(8) . .
S10 Sb11 S19 95.98(7) . .
S12 Sb11 S19 98.13(8) . .
S13 Sb12 S12 92.01(8) . .
S13 Sb12 S11 94.49(8) . .
S12 Sb12 S11 98.42(7) . .
S19 Sb13 S21 90.66(8) . .
S19 Sb13 S20 89.69(7) . .
S21 Sb13 S20 99.19(7) . .
S21 Sb14 S24 90.11(8) . .
S21 Sb14 S22 92.75(7) . .
S24 Sb14 S22 97.74(8) . .
S23 Sb15 S1 92.03(8) . .
S23 Sb15 S22 94.46(8) . .
S1 Sb15 S22 98.40(7) . .
S2 Sb16 S1 102.36(8) . .
S2 Sb16 S8 95.96(7) . .
S1 Sb16 S8 97.98(8) . .
S5 Sb17 S3 100.69(9) . .
S5 Sb17 S13 96.53(7) . 1_655
S3 Sb17 S13 92.20(8) . 1_655
S20 Sb18 S7 100.64(9) 1_655 .
S20 Sb18 S23 96.29(7) 1_655 .
S7 Sb18 S23 92.33(8) . .
Sb15 S1 Sb16 105.59(8) . .
Sb16 S2 Sb1 103.89(7) . 1_556
Sb17 S3 Sb1 100.84(8) . .
Sb1 S4 Sb2 90.61(7) . .
Sb17 S5 Sb9 101.79(8) . .
Sb2 S6 Sb1 90.50(7) . .
Sb18 S7 Sb2 100.94(8) . 1_656
Sb16 S8 Sb9 100.27(8) . .
Sb10 S9 Sb9 105.50(8) . .
Sb11 S10 Sb2 103.80(7) . .
Sb10 S11 Sb12 103.10(7) . .
Sb11 S12 Sb12 105.59(8) . .
Sb12 S13 Sb17 102.41(8) . 1_455
Sb3 S14 Sb10 102.21(9) 2_556 .
Sb3 S15 Sb4 98.64(10) . .
Sb5 S16 Sb3 105.77(9) . .
Sb5 S17 Sb4 94.51(11) . .
Sb11 S19 Sb13 100.18(8) . .
Sb18 S20 Sb13 101.64(8) 1_455 .
Sb14 S21 Sb13 105.48(8) . .
Sb15 S22 Sb14 103.10(7) . .
Sb15 S23 Sb18 102.89(8) . .
Sb6 S24 Sb14 101.00(8) . .
Sb8 S25 Sb6 106.70(10) . .
Sb6 S26 Sb7 96.69(8) . .
Sb8 S27 Sb7 97.00(11) . .
Sb8 S29 Sb5 89.18(10) . .
N11 Ni1 N7 94.6(3) . .
N11 Ni1 N10 93.4(3) . .
N7 Ni1 N10 170.7(3) . .
N11 Ni1 N9 95.2(3) . .
N7 Ni1 N9 94.3(3) . .
N10 Ni1 N9 80.1(3) . .
N11 Ni1 N8 172.3(3) . .
N7 Ni1 N8 80.2(3) . .
N10 Ni1 N8 92.3(3) . .
N9 Ni1 N8 90.7(3) . .
N11 Ni1 N12 79.1(3) . .
N7 Ni1 N12 94.1(3) . .
N10 Ni1 N12 92.1(3) . .
N9 Ni1 N12 170.2(3) . .
N8 Ni1 N12 95.6(3) . .
C1 N1 C5 117.4(8) . .
C1 N1 Ni2 129.7(7) . .
C5 N1 Ni2 112.9(6) . .
C12 N2 C9 118.1(9) . .
C12 N2 Ni2 128.6(7) . .
C9 N2 Ni2 113.4(5) . .
C13 N3 C17 117.9(8) . .
C13 N3 Ni2 129.0(6) . .
C17 N3 Ni2 113.1(6) . .
C21 N4 C24 118.0(8) . .
C21 N4 Ni2 112.5(5) . .
C24 N4 Ni2 129.4(7) . .
C25 N5 C29 115.9(8) . .
C25 N5 Ni2 130.6(7) . .
C29 N5 Ni2 113.4(6) . .
C36 N6 C33 119.5(8) . .
C36 N6 Ni2 129.5(7) . .
C33 N6 Ni2 110.8(6) . .
N1 C1 C2 124.3(10) . .
N1 C1 H1 117.9 . .
C2 C1 H1 117.9 . .
C3 C2 C1 117.7(9) . .
C3 C2 H2 121.2 . .
C1 C2 H2 121.2 . .
C2 C3 C4 120.1(9) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C5 C4 C3 117.6(9) . .
C5 C4 C6 118.9(9) . .
C3 C4 C6 123.5(9) . .
N1 C5 C4 122.9(8) . .
N1 C5 C9 117.8(8) . .
C4 C5 C9 119.3(9) . .
C7 C6 C4 122.0(10) . .
C7 C6 H6 119.0 . .
C4 C6 H6 119.0 . .
C6 C7 C8 120.5(10) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
C9 C8 C10 117.6(9) . .
C9 C8 C7 118.4(9) . .
C10 C8 C7 124.0(9) . .
N2 C9 C8 122.6(9) . .
N2 C9 C5 116.4(8) . .
C8 C9 C5 121.0(9) . .
C11 C10 C8 120.3(9) . .
C11 C10 H10 119.8 . .
C8 C10 H10 119.8 . .
C10 C11 C12 118.3(9) . .
C10 C11 H11 120.9 . .
C12 C11 H11 120.9 . .
N2 C12 C11 123.1(10) . .
N2 C12 H12 118.5 . .
C11 C12 H12 118.5 . .
N3 C13 C14 122.8(10) . .
N3 C13 H13 118.6 . .
C14 C13 H13 118.6 . .
C15 C14 C13 119.5(10) . .
C15 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C14 C15 C16 119.4(9) . .
C14 C15 H15 120.3 . .
C16 C15 H15 120.3 . .
C17 C16 C15 116.4(9) . .
C17 C16 C18 120.0(10) . .
C15 C16 C18 123.6(10) . .
N3 C17 C16 124.0(9) . .
N3 C17 C21 117.4(8) . .
C16 C17 C21 118.6(9) . .
C19 C18 C16 119.9(10) . .
C19 C18 H18 120.1 . .
C16 C18 H18 120.1 . .
C18 C19 C20 122.9(10) . .
C18 C19 H19 118.5 . .
C20 C19 H19 118.5 . .
C19 C20 C21 118.9(10) . .
C19 C20 C22 125.8(10) . .
C21 C20 C22 115.1(10) . .
N4 C21 C20 122.9(9) . .
N4 C21 C17 117.4(8) . .
C20 C21 C17 119.7(9) . .
C23 C22 C20 122.0(9) . .
C23 C22 H22 119.0 . .
C20 C22 H22 119.0 . .
C22 C23 C24 120.0(10) . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
N4 C24 C23 121.7(10) . .
N4 C24 H24 119.1 . .
C23 C24 H24 119.1 . .
N5 C25 C26 123.2(10) . .
N5 C25 H25 118.4 . .
C26 C25 H25 118.4 . .
C27 C26 C25 119.0(10) . .
C27 C26 H26 120.5 . .
C25 C26 H26 120.5 . .
C26 C27 C28 120.8(9) . .
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C29 C28 C27 117.9(10) . .
C29 C28 C30 117.5(9) . .
C27 C28 C30 124.5(10) . .
N5 C29 C28 123.1(9) . .
N5 C29 C33 116.5(8) . .
C28 C29 C33 120.3(9) . .
C31 C30 C28 122.9(10) . .
C31 C30 H30 118.5 . .
C28 C30 H30 118.5 . .
C30 C31 C32 120.7(9) . .
C30 C31 H31 119.7 . .
C32 C31 H31 119.7 . .
C34 C32 C31 125.1(10) . .
C34 C32 C33 116.5(10) . .
C31 C32 C33 118.3(10) . .
N6 C33 C32 121.1(9) . .
N6 C33 C29 118.6(8) . .
C32 C33 C29 120.3(9) . .
C35 C34 C32 121.2(10) . .
C35 C34 H34 119.4 . .
C32 C34 H34 119.4 . .
C34 C35 C36 120.1(11) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
N5 Ni2 N2 171.9(3) . .
N5 Ni2 N3 95.6(3) . .
N2 Ni2 N3 90.4(3) . .
N5 Ni2 N1 94.6(3) . .
N2 Ni2 N1 79.4(3) . .
N3 Ni2 N1 94.4(3) . .
N5 Ni2 N4 90.6(3) . .
N2 Ni2 N4 95.9(3) . .
N3 Ni2 N4 79.6(3) . .
N1 Ni2 N4 172.5(3) . .
N5 Ni2 N6 80.6(3) . .
N2 Ni2 N6 94.2(3) . .
N3 Ni2 N6 171.3(3) . .
N1 Ni2 N6 93.7(3) . .
N4 Ni2 N6 92.5(3) . .
C37 N7 C41 116.4(8) . .
C37 N7 Ni1 130.6(7) . .
C41 N7 Ni1 113.0(5) . .
C48 N8 C45 118.2(8) . .
C48 N8 Ni1 129.1(7) . .
C45 N8 Ni1 112.6(6) . .
C49 N9 C53 119.1(8) . .
C49 N9 Ni1 128.2(7) . .
C53 N9 Ni1 112.6(6) . .
C60 N10 C57 117.7(8) . .
C60 N10 Ni1 129.1(7) . .
C57 N10 Ni1 112.6(6) . .
C61 N11 C65 117.7(8) . .
C61 N11 Ni1 128.1(7) . .
C65 N11 Ni1 114.2(6) . .
C72 N12 C69 117.8(8) . .
C72 N12 Ni1 128.5(7) . .
C69 N12 Ni1 113.6(6) . .
N6 C36 C35 121.4(10) . .
N6 C36 H36 119.3 . .
C35 C36 H36 119.3 . .
N7 C37 C38 125.5(10) . .
N7 C37 H37 117.2 . .
C38 C37 H37 117.2 . .
C39 C38 C37 118.2(10) . .
C39 C38 H38 120.9 . .
C37 C38 H38 120.9 . .
C38 C39 C40 120.3(10) . .
C38 C39 H39 119.8 . .
C40 C39 H39 119.8 . .
C41 C40 C39 117.0(9) . .
C41 C40 C42 119.2(10) . .
C39 C40 C42 123.6(10) . .
C40 C41 N7 122.6(8) . .
C40 C41 C45 121.0(9) . .
N7 C41 C45 116.4(8) . .
C43 C42 C40 120.6(10) . .
C43 C42 H42 119.7 . .
C40 C42 H42 119.7 . .
C42 C43 C44 121.4(10) . .
C42 C43 H43 119.3 . .
C44 C43 H43 119.3 . .
C45 C44 C46 117.8(10) . .
C45 C44 C43 118.2(10) . .
C46 C44 C43 124.0(10) . .
N8 C45 C44 123.2(9) . .
N8 C45 C41 117.8(8) . .
C44 C45 C41 119.1(9) . .
C47 C46 C44 118.7(9) . .
C47 C46 H46 120.7 . .
C44 C46 H46 120.7 . .
C46 C47 C48 120.4(10) . .
C46 C47 H47 119.8 . .
C48 C47 H47 119.8 . .
N8 C48 C47 121.6(10) . .
N8 C48 H48 119.2 . .
C47 C48 H48 119.2 . .
N9 C49 C50 121.3(10) . .
N9 C49 H49 119.3 . .
C50 C49 H49 119.3 . .
C51 C50 C49 119.9(10) . .
C51 C50 H50 120.0 . .
C49 C50 H50 120.0 . .
C50 C51 C52 119.4(10) . .
C50 C51 H51 120.3 . .
C52 C51 H51 120.3 . .
C54 C52 C53 121.6(11) . .
C54 C52 C51 122.7(10) . .
C53 C52 C51 115.5(10) . .
N9 C53 C52 124.7(9) . .
N9 C53 C57 116.3(8) . .
C52 C53 C57 119.0(9) . .
C55 C54 C52 120.4(11) . .
C55 C54 H54 119.8 . .
C52 C54 H54 119.8 . .
C54 C55 C56 120.7(10) . .
C54 C55 H55 119.6 . .
C56 C55 H55 119.6 . .
C58 C56 C57 117.4(10) . .
C58 C56 C55 122.7(10) . .
C57 C56 C55 119.8(11) . .
N10 C57 C56 123.5(10) . .
N10 C57 C53 118.2(8) . .
C56 C57 C53 118.3(9) . .
C59 C58 C56 119.4(10) . .
C59 C58 H58 120.3 . .
C56 C58 H58 120.3 . .
C58 C59 C60 118.8(10) . .
C58 C59 H59 120.6 . .
C60 C59 H59 120.6 . .
N10 C60 C59 122.8(10) . .
N10 C60 H60 118.6 . .
C59 C60 H60 118.6 . .
N11 C61 C62 122.0(10) . .
N11 C61 H61 119.0 . .
C62 C61 H61 119.0 . .
C63 C62 C61 118.7(10) . .
C63 C62 H62 120.6 . .
C61 C62 H62 120.6 . .
C62 C63 C64 121.0(10) . .
C62 C63 H63 119.5 . .
C64 C63 H63 119.5 . .
C65 C64 C63 115.8(10) . .
C65 C64 C66 118.9(10) . .
C63 C64 C66 125.2(10) . .
N11 C65 C64 124.7(9) . .
N11 C65 C69 116.0(8) . .
C64 C65 C69 119.3(9) . .
C67 C66 C64 119.8(11) . .
C67 C66 H66 120.1 . .
C64 C66 H66 120.1 . .
C66 C67 C68 124.2(12) . .
C66 C67 H67 117.9 . .
C68 C67 H67 117.9 . .
C67 C68 C70 127.1(11) . .
C67 C68 C69 118.5(10) . .
C70 C68 C69 114.3(10) . .
N12 C69 C68 124.1(9) . .
N12 C69 C65 116.9(8) . .
C68 C69 C65 118.9(8) . .
C71 C70 C68 122.8(11) . .
C71 C70 H70 118.6 . .
C68 C70 H70 118.6 . .
C70 C71 C72 118.4(9) . .
C70 C71 H71 120.8 . .
C72 C71 H71 120.8 . .
N12 C72 C71 122.6(10) . .
N12 C72 H72 118.7 . .
C71 C72 H72 118.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 S4 2.424(2) .
Sb1 S3 2.478(2) .
Sb1 S6 2.622(2) .
Sb1 S2 2.866(2) 1_554
Sb2 S6 2.423(2) .
Sb2 S7 2.476(2) 1_454
Sb2 S4 2.616(2) .
Sb2 S10 2.868(2) .
Sb3 S15 2.426(3) .
Sb3 S14 2.446(3) 2_546
Sb3 S16 2.457(2) .
Sb4 S18 2.365(3) .
Sb4 S15 2.429(3) .
Sb4 S17 2.454(3) .
Sb5 S16 2.438(3) .
Sb5 S17 2.441(3) .
Sb5 S29 2.495(3) .
Sb6 S26 2.441(2) .
Sb6 S25 2.447(3) .
Sb6 S24 2.462(2) .
Sb7 S28 2.336(3) .
Sb7 S27 2.449(4) .
Sb7 S26 2.453(3) .
Sb8 S25 2.408(3) .
Sb8 S27 2.441(4) .
Sb8 S29 2.465(3) .
Sb9 S8 2.465(2) .
Sb9 S9 2.484(2) .
Sb9 S5 2.537(2) .
Sb10 S9 2.462(2) .
Sb10 S11 2.485(2) .
Sb10 S14 2.492(3) .
Sb11 S10 2.388(2) .
Sb11 S12 2.448(2) .
Sb11 S19 2.463(2) .
Sb12 S13 2.441(2) .
Sb12 S12 2.453(2) .
Sb12 S11 2.487(2) .
Sb13 S19 2.467(2) .
Sb13 S21 2.482(2) .
Sb13 S20 2.539(2) .
Sb14 S21 2.461(2) .
Sb14 S24 2.484(2) .
Sb14 S22 2.489(2) .
Sb15 S23 2.433(2) .
Sb15 S1 2.448(2) .
Sb15 S22 2.485(2) .
Sb16 S2 2.387(2) .
Sb16 S1 2.449(2) .
Sb16 S8 2.459(2) .
Sb17 S5 2.451(2) .
Sb17 S3 2.465(2) .
Sb17 S13 2.506(2) 1_655
Sb18 S20 2.451(2) 1_655
Sb18 S7 2.464(2) .
Sb18 S23 2.499(2) .
S2 Sb1 2.866(2) 1_556
S7 Sb2 2.476(2) 1_656
S13 Sb17 2.506(2) 1_455
S14 Sb3 2.446(3) 2_556
S20 Sb18 2.451(2) 1_455
Ni1 N11 2.076(8) .
Ni1 N7 2.077(7) .
Ni1 N10 2.083(7) .
Ni1 N9 2.088(8) .
Ni1 N8 2.100(7) .
Ni1 N12 2.103(7) .
N1 C1 1.313(11) .
N1 C5 1.349(12) .
N1 Ni2 2.096(7) .
N2 C12 1.319(11) .
N2 C9 1.366(11) .
N2 Ni2 2.084(8) .
N3 C13 1.323(11) .
N3 C17 1.340(11) .
N3 Ni2 2.089(7) .
N4 C21 1.349(11) .
N4 C24 1.368(11) .
N4 Ni2 2.097(7) .
N5 C25 1.345(11) .
N5 C29 1.365(12) .
N5 Ni2 2.075(7) .
N6 C36 1.309(12) .
N6 C33 1.378(11) .
N6 Ni2 2.107(7) .
C1 C2 1.399(13) .
C1 H1 0.9300 .
C2 C3 1.355(16) .
C2 H2 0.9300 .
C3 C4 1.399(13) .
C3 H3 0.9300 .
C4 C5 1.389(12) .
C4 C6 1.442(15) .
C5 C9 1.431(12) .
C6 C7 1.328(15) .
C6 H6 0.9300 .
C7 C8 1.451(14) .
C7 H7 0.9300 .
C8 C9 1.390(13) .
C8 C10 1.408(13) .
C10 C11 1.352(14) .
C10 H10 0.9300 .
C11 C12 1.417(14) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.387(15) .
C13 H13 0.9300 .
C14 C15 1.368(16) .
C14 H14 0.9300 .
C15 C16 1.409(15) .
C15 H15 0.9300 .
C16 C17 1.398(13) .
C16 C18 1.437(15) .
C17 C21 1.443(12) .
C18 C19 1.341(16) .
C18 H18 0.9300 .
C19 C20 1.389(16) .
C19 H19 0.9300 .
C20 C21 1.417(12) .
C20 C22 1.418(15) .
C22 C23 1.324(16) .
C22 H22 0.9300 .
C23 C24 1.377(13) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.412(14) .
C25 H25 0.9300 .
C26 C27 1.308(15) .
C26 H26 0.9300 .
C27 C28 1.398(14) .
C27 H27 0.9300 .
C28 C29 1.380(13) .
C28 C30 1.454(15) .
C29 C33 1.436(13) .
C30 C31 1.338(16) .
C30 H30 0.9300 .
C31 C32 1.414(16) .
C31 H31 0.9300 .
C32 C34 1.372(16) .
C32 C33 1.425(13) .
C34 C35 1.352(17) .
C34 H34 0.9300 .
C35 C36 1.388(15) .
C35 H35 0.9300 .
N7 C37 1.316(11) .
N7 C41 1.385(10) .
N8 C48 1.297(11) .
N8 C45 1.357(11) .
N9 C49 1.314(11) .
N9 C53 1.358(12) .
N10 C60 1.322(12) .
N10 C57 1.335(12) .
N11 C61 1.341(11) .
N11 C65 1.377(11) .
N12 C72 1.321(11) .
N12 C69 1.356(11) .
C36 H36 0.9300 .
C37 C38 1.370(14) .
C37 H37 0.9300 .
C38 C39 1.345(16) .
C38 H38 0.9300 .
C39 C40 1.425(15) .
C39 H39 0.9300 .
C40 C41 1.380(12) .
C40 C42 1.428(14) .
C41 C45 1.441(12) .
C42 C43 1.339(16) .
C42 H42 0.9300 .
C43 C44 1.463(16) .
C43 H43 0.9300 .
C44 C45 1.397(13) .
C44 C46 1.400(15) .
C46 C47 1.338(17) .
C46 H46 0.9300 .
C47 C48 1.436(14) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C50 1.423(13) .
C49 H49 0.9300 .
C50 C51 1.374(17) .
C50 H50 0.9300 .
C51 C52 1.436(16) .
C51 H51 0.9300 .
C52 C54 1.384(16) .
C52 C53 1.395(12) .
C53 C57 1.450(13) .
C54 C55 1.370(17) .
C54 H54 0.9300 .
C55 C56 1.422(15) .
C55 H55 0.9300 .
C56 C58 1.385(16) .
C56 C57 1.413(13) .
C58 C59 1.366(16) .
C58 H58 0.9300 .
C59 C60 1.416(15) .
C59 H59 0.9300 .
C60 H60 0.9300 .
C61 C62 1.431(14) .
C61 H61 0.9300 .
C62 C63 1.388(16) .
C62 H62 0.9300 .
C63 C64 1.410(15) .
C63 H63 0.9300 .
C64 C65 1.408(13) .
C64 C66 1.423(15) .
C65 C69 1.444(12) .
C66 C67 1.350(16) .
C66 H66 0.9300 .
C67 C68 1.363(15) .
C67 H67 0.9300 .
C68 C70 1.386(14) .
C68 C69 1.424(13) .
C70 C71 1.351(15) .
C70 H70 0.9300 .
C71 C72 1.402(14) .
C71 H71 0.9300 .
C72 H72 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C12 H12 S18 0.93 2.76 3.571(10) 145.9 2
C13 H13 S16 0.93 2.85 3.614(9) 140.3 2_656
C15 H15 S15 0.93 2.69 3.504(10) 146.5 2_556
C26 H26 S12 0.93 2.81 3.719(10) 166.5 1_655
C30 H30 S20 0.93 2.85 3.755(11) 166.1 1_654
C31 H31 S11 0.93 2.82 3.661(10) 151.2 1_654
C39 H39 S25 0.93 2.74 3.543(10) 145.3 1_554
C50 H50 S1 0.93 2.79 3.698(11) 166.5 1_454
C54 H54 S5 0.93 2.81 3.706(12) 162.6 1_455
C55 H55 S22 0.93 2.79 3.661(11) 156.7 1_455
C58 H58 S26 0.93 2.87 3.529(11) 128.5 1_455
C61 H61 S24 0.93 2.86 3.643(10) 142.2 1_454
C62 H62 S25 0.93 2.86 3.719(10) 154.8 1_454
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_4
S23 Sb15 S1 Sb16 -167.85(8) . .
S22 Sb15 S1 Sb16 -73.04(9) . .
S2 Sb16 S1 Sb15 82.90(9) . .
S8 Sb16 S1 Sb15 -15.03(9) . .
S1 Sb16 S2 Sb1 96.16(8) . 1_556
S8 Sb16 S2 Sb1 -164.30(8) . 1_556
S5 Sb17 S3 Sb1 89.05(10) . .
S13 Sb17 S3 Sb1 -173.88(10) 1_655 .
S4 Sb1 S3 Sb17 -99.84(10) . .
S6 Sb1 S3 Sb17 -10.16(11) . .
S2 Sb1 S3 Sb17 171.45(9) 1_554 .
S3 Sb1 S4 Sb2 93.14(7) . .
S6 Sb1 S4 Sb2 0.03(7) . .
S2 Sb1 S4 Sb2 -174.09(6) 1_554 .
S6 Sb2 S4 Sb1 -0.04(8) . .
S7 Sb2 S4 Sb1 95.45(9) 1_454 .
S10 Sb2 S4 Sb1 -67.4(6) . .
S3 Sb17 S5 Sb9 -165.33(7) . .
S13 Sb17 S5 Sb9 101.18(8) 1_655 .
S8 Sb9 S5 Sb17 -74.87(8) . .
S9 Sb9 S5 Sb17 15.66(8) . .
S7 Sb2 S6 Sb1 -93.10(7) 1_454 .
S4 Sb2 S6 Sb1 0.03(7) . .
S10 Sb2 S6 Sb1 174.13(6) . .
S4 Sb1 S6 Sb2 -0.04(8) . .
S3 Sb1 S6 Sb2 -95.69(9) . .
S2 Sb1 S6 Sb2 69.5(7) 1_554 .
S20 Sb18 S7 Sb2 -89.06(10) 1_655 1_656
S23 Sb18 S7 Sb2 174.09(10) . 1_656
S2 Sb16 S8 Sb9 -7.16(9) . .
S1 Sb16 S8 Sb9 96.26(9) . .
S9 Sb9 S8 Sb16 106.08(9) . .
S5 Sb9 S8 Sb16 -154.89(8) . .
S11 Sb10 S9 Sb9 82.28(9) . .
S14 Sb10 S9 Sb9 -179.64(9) . .
S8 Sb9 S9 Sb10 -176.97(8) . .
S5 Sb9 S9 Sb10 93.26(8) . .
S12 Sb11 S10 Sb2 -96.35(8) . .
S19 Sb11 S10 Sb2 163.93(8) . .
S6 Sb2 S10 Sb11 110.44(9) . .
S7 Sb2 S10 Sb11 15.02(10) 1_454 .
S4 Sb2 S10 Sb11 178(21) . .
S9 Sb10 S11 Sb12 -171.02(8) . .
S14 Sb10 S11 Sb12 98.73(9) . .
S13 Sb12 S11 Sb10 -73.82(9) . .
S12 Sb12 S11 Sb10 18.89(9) . .
S10 Sb11 S12 Sb12 -82.76(9) . .
S19 Sb11 S12 Sb12 15.26(9) . .
S13 Sb12 S12 Sb11 167.69(9) . .
S11 Sb12 S12 Sb11 72.85(9) . .
S12 Sb12 S13 Sb17 80.72(9) . 1_455
S11 Sb12 S13 Sb17 179.34(8) . 1_455
S9 Sb10 S14 Sb3 -52.45(10) . 2_556
S11 Sb10 S14 Sb3 40.35(10) . 2_556
S14 Sb3 S15 Sb4 163.91(10) 2_546 .
S16 Sb3 S15 Sb4 75.46(11) . .
S18 Sb4 S15 Sb3 9.30(12) . .
S17 Sb4 S15 Sb3 -87.97(12) . .
S17 Sb5 S16 Sb3 72.38(11) . .
S29 Sb5 S16 Sb3 161.44(12) . .
S15 Sb3 S16 Sb5 -69.19(11) . .
S14 Sb3 S16 Sb5 -158.87(11) 2_546 .
S16 Sb5 S17 Sb4 -77.32(10) . .
S29 Sb5 S17 Sb4 -168.58(12) . .
S18 Sb4 S17 Sb5 -12.19(11) . .
S15 Sb4 S17 Sb5 86.09(11) . .
S10 Sb11 S19 Sb13 7.21(10) . .
S12 Sb11 S19 Sb13 -96.36(9) . .
S21 Sb13 S19 Sb11 -106.08(9) . .
S20 Sb13 S19 Sb11 154.73(9) . .
S19 Sb13 S20 Sb18 74.72(8) . 1_455
S21 Sb13 S20 Sb18 -15.90(8) . 1_455
S24 Sb14 S21 Sb13 179.90(9) . .
S22 Sb14 S21 Sb13 -82.35(9) . .
S19 Sb13 S21 Sb14 177.15(9) . .
S20 Sb13 S21 Sb14 -93.06(8) . .
S23 Sb15 S22 Sb14 73.91(9) . .
S1 Sb15 S22 Sb14 -18.80(9) . .
S21 Sb14 S22 Sb15 170.96(8) . .
S24 Sb14 S22 Sb15 -98.55(9) . .
S1 Sb15 S23 Sb18 -80.80(9) . .
S22 Sb15 S23 Sb18 -179.39(8) . .
S20 Sb18 S23 Sb15 -9.06(9) 1_655 .
S7 Sb18 S23 Sb15 91.92(10) . .
S26 Sb6 S24 Sb14 146.57(10) . .
S25 Sb6 S24 Sb14 -115.63(10) . .
S21 Sb14 S24 Sb6 50.97(9) . .
S22 Sb14 S24 Sb6 -41.82(9) . .
S27 Sb8 S25 Sb6 67.98(13) . .
S29 Sb8 S25 Sb6 158.43(14) . .
S26 Sb6 S25 Sb8 -69.70(11) . .
S24 Sb6 S25 Sb8 -158.36(11) . .
S25 Sb6 S26 Sb7 79.95(10) . .
S24 Sb6 S26 Sb7 167.10(9) . .
S28 Sb7 S26 Sb6 7.44(11) . .
S27 Sb7 S26 Sb6 -90.77(11) . .
S25 Sb8 S27 Sb7 -72.74(12) . .
S29 Sb8 S27 Sb7 -161.37(11) . .
S28 Sb7 S27 Sb8 -14.88(12) . .
S26 Sb7 S27 Sb8 83.71(10) . .
S25 Sb8 S29 Sb5 157.21(13) . .
S27 Sb8 S29 Sb5 -98.54(13) . .
S16 Sb5 S29 Sb8 136.20(13) . .
S17 Sb5 S29 Sb8 -122.30(14) . .
C5 N1 C1 C2 1.5(14) . .
Ni2 N1 C1 C2 -176.5(7) . .
N1 C1 C2 C3 -1.6(16) . .
C1 C2 C3 C4 0.5(16) . .
C2 C3 C4 C5 0.5(15) . .
C2 C3 C4 C6 -179.4(10) . .
C1 N1 C5 C4 -0.3(13) . .
Ni2 N1 C5 C4 178.0(7) . .
C1 N1 C5 C9 179.4(8) . .
Ni2 N1 C5 C9 -2.3(10) . .
C3 C4 C5 N1 -0.7(14) . .
C6 C4 C5 N1 179.2(9) . .
C3 C4 C5 C9 179.6(8) . .
C6 C4 C5 C9 -0.5(13) . .
C5 C4 C6 C7 -1.5(16) . .
C3 C4 C6 C7 178.4(11) . .
C4 C6 C7 C8 1.8(18) . .
C6 C7 C8 C9 -0.1(16) . .
C6 C7 C8 C10 177.7(11) . .
C12 N2 C9 C8 -1.2(13) . .
Ni2 N2 C9 C8 178.3(7) . .
C12 N2 C9 C5 177.9(8) . .
Ni2 N2 C9 C5 -2.6(10) . .
C10 C8 C9 N2 -0.7(14) . .
C7 C8 C9 N2 177.2(9) . .
C10 C8 C9 C5 -179.8(8) . .
C7 C8 C9 C5 -1.9(14) . .
N1 C5 C9 N2 3.3(12) . .
C4 C5 C9 N2 -177.0(8) . .
N1 C5 C9 C8 -177.6(8) . .
C4 C5 C9 C8 2.1(13) . .
C9 C8 C10 C11 1.7(15) . .
C7 C8 C10 C11 -176.1(10) . .
C8 C10 C11 C12 -0.8(15) . .
C9 N2 C12 C11 2.2(14) . .
Ni2 N2 C12 C11 -177.2(7) . .
C10 C11 C12 N2 -1.3(15) . .
C17 N3 C13 C14 -0.9(15) . .
Ni2 N3 C13 C14 -179.7(9) . .
N3 C13 C14 C15 0.6(18) . .
C13 C14 C15 C16 -1.6(17) . .
C14 C15 C16 C17 2.8(15) . .
C14 C15 C16 C18 -179.5(10) . .
C13 N3 C17 C16 2.4(13) . .
Ni2 N3 C17 C16 -178.6(7) . .
C13 N3 C17 C21 -178.0(8) . .
Ni2 N3 C17 C21 1.0(10) . .
C15 C16 C17 N3 -3.3(13) . .
C18 C16 C17 N3 178.9(9) . .
C15 C16 C17 C21 177.1(8) . .
C18 C16 C17 C21 -0.7(13) . .
C17 C16 C18 C19 -0.8(15) . .
C15 C16 C18 C19 -178.4(11) . .
C16 C18 C19 C20 2.4(17) . .
C18 C19 C20 C21 -2.4(17) . .
C18 C19 C20 C22 172.4(11) . .
C24 N4 C21 C20 -5.9(12) . .
Ni2 N4 C21 C20 177.7(7) . .
C24 N4 C21 C17 174.6(7) . .
Ni2 N4 C21 C17 -1.9(9) . .
C19 C20 C21 N4 -178.8(9) . .
C22 C20 C21 N4 5.9(13) . .
C19 C20 C21 C17 0.8(13) . .
C22 C20 C21 C17 -174.6(8) . .
N3 C17 C21 N4 0.6(11) . .
C16 C17 C21 N4 -179.7(8) . .
N3 C17 C21 C20 -178.9(8) . .
C16 C17 C21 C20 0.7(12) . .
C19 C20 C22 C23 -177.1(10) . .
C21 C20 C22 C23 -2.1(15) . .
C20 C22 C23 C24 -1.4(16) . .
C21 N4 C24 C23 2.0(13) . .
Ni2 N4 C24 C23 177.8(7) . .
C22 C23 C24 N4 1.6(15) . .
C29 N5 C25 C26 1.2(12) . .
Ni2 N5 C25 C26 177.3(6) . .
N5 C25 C26 C27 0.7(14) . .
C25 C26 C27 C28 -2.0(14) . .
C26 C27 C28 C29 1.4(13) . .
C26 C27 C28 C30 -174.0(9) . .
C25 N5 C29 C28 -1.7(12) . .
Ni2 N5 C29 C28 -178.5(7) . .
C25 N5 C29 C33 175.4(7) . .
Ni2 N5 C29 C33 -1.4(9) . .
C27 C28 C29 N5 0.5(13) . .
C30 C28 C29 N5 176.3(8) . .
C27 C28 C29 C33 -176.5(8) . .
C30 C28 C29 C33 -0.7(13) . .
C29 C28 C30 C31 1.4(16) . .
C27 C28 C30 C31 176.8(10) . .
C28 C30 C31 C32 -3.2(18) . .
C30 C31 C32 C34 -178.9(12) . .
C30 C31 C32 C33 4.3(17) . .
C36 N6 C33 C32 0.4(14) . .
Ni2 N6 C33 C32 175.5(7) . .
C36 N6 C33 C29 -177.3(8) . .
Ni2 N6 C33 C29 -2.2(10) . .
C34 C32 C33 N6 1.6(15) . .
C31 C32 C33 N6 178.7(9) . .
C34 C32 C33 C29 179.2(10) . .
C31 C32 C33 C29 -3.6(15) . .
N5 C29 C33 N6 2.5(12) . .
C28 C29 C33 N6 179.7(8) . .
N5 C29 C33 C32 -175.2(8) . .
C28 C29 C33 C32 2.0(13) . .
C31 C32 C34 C35 -178.7(13) . .
C33 C32 C34 C35 -1.8(19) . .
C32 C34 C35 C36 0(2) . .
C25 N5 Ni2 N2 132.9(18) . .
C29 N5 Ni2 N2 -51(2) . .
C25 N5 Ni2 N3 -3.9(8) . .
C29 N5 Ni2 N3 172.3(6) . .
C25 N5 Ni2 N1 91.0(7) . .
C29 N5 Ni2 N1 -92.8(6) . .
C25 N5 Ni2 N4 -83.5(7) . .
C29 N5 Ni2 N4 92.7(6) . .
C25 N5 Ni2 N6 -176.0(8) . .
C29 N5 Ni2 N6 0.2(6) . .
C12 N2 Ni2 N5 137.9(18) . .
C9 N2 Ni2 N5 -42(2) . .
C12 N2 Ni2 N3 -85.1(8) . .
C9 N2 Ni2 N3 95.5(6) . .
C12 N2 Ni2 N1 -179.5(8) . .
C9 N2 Ni2 N1 1.1(6) . .
C12 N2 Ni2 N4 -5.5(8) . .
C9 N2 Ni2 N4 175.1(6) . .
C12 N2 Ni2 N6 87.5(8) . .
C9 N2 Ni2 N6 -91.9(6) . .
C13 N3 Ni2 N5 87.8(9) . .
C17 N3 Ni2 N5 -91.1(6) . .
C13 N3 Ni2 N2 -86.7(9) . .
C17 N3 Ni2 N2 94.5(6) . .
C13 N3 Ni2 N1 -7.3(9) . .
C17 N3 Ni2 N1 173.9(6) . .
C13 N3 Ni2 N4 177.3(9) . .
C17 N3 Ni2 N4 -1.5(6) . .
C13 N3 Ni2 N6 151.3(17) . .
C17 N3 Ni2 N6 -28(2) . .
C1 N1 Ni2 N5 -6.8(8) . .
C5 N1 Ni2 N5 175.2(6) . .
C1 N1 Ni2 N2 178.7(9) . .
C5 N1 Ni2 N2 0.7(6) . .
C1 N1 Ni2 N3 89.2(8) . .
C5 N1 Ni2 N3 -88.9(6) . .
C1 N1 Ni2 N4 126(2) . .
C5 N1 Ni2 N4 -52(2) . .
C1 N1 Ni2 N6 -87.7(8) . .
C5 N1 Ni2 N6 94.3(6) . .
C21 N4 Ni2 N5 97.4(6) . .
C24 N4 Ni2 N5 -78.6(8) . .
C21 N4 Ni2 N2 -87.5(6) . .
C24 N4 Ni2 N2 96.6(8) . .
C21 N4 Ni2 N3 1.8(6) . .
C24 N4 Ni2 N3 -174.1(8) . .
C21 N4 Ni2 N1 -36(2) . .
C24 N4 Ni2 N1 148(2) . .
C21 N4 Ni2 N6 178.0(6) . .
C24 N4 Ni2 N6 2.1(8) . .
C36 N6 Ni2 N5 175.6(9) . .
C33 N6 Ni2 N5 1.0(6) . .
C36 N6 Ni2 N2 -10.7(9) . .
C33 N6 Ni2 N2 174.7(6) . .
C36 N6 Ni2 N3 111(2) . .
C33 N6 Ni2 N3 -64(2) . .
C36 N6 Ni2 N1 -90.3(9) . .
C33 N6 Ni2 N1 95.1(6) . .
C36 N6 Ni2 N4 85.4(9) . .
C33 N6 Ni2 N4 -89.1(6) . .
N11 Ni1 N7 C37 9.2(9) . .
N10 Ni1 N7 C37 -139.3(16) . .
N9 Ni1 N7 C37 -86.4(9) . .
N8 Ni1 N7 C37 -176.4(9) . .
N12 Ni1 N7 C37 88.7(9) . .
N11 Ni1 N7 C41 -172.3(6) . .
N10 Ni1 N7 C41 39(2) . .
N9 Ni1 N7 C41 92.1(6) . .
N8 Ni1 N7 C41 2.1(6) . .
N12 Ni1 N7 C41 -92.9(6) . .
N11 Ni1 N8 C48 -138(2) . .
N7 Ni1 N8 C48 174.9(8) . .
N10 Ni1 N8 C48 0.5(8) . .
N9 Ni1 N8 C48 80.6(8) . .
N12 Ni1 N8 C48 -91.9(8) . .
N11 Ni1 N8 C45 45(2) . .
N7 Ni1 N8 C45 -1.7(6) . .
N10 Ni1 N8 C45 -176.0(6) . .
N9 Ni1 N8 C45 -95.9(6) . .
N12 Ni1 N8 C45 91.6(6) . .
N11 Ni1 N9 C49 -90.4(7) . .
N7 Ni1 N9 C49 4.5(7) . .
N10 Ni1 N9 C49 177.0(8) . .
N8 Ni1 N9 C49 84.7(7) . .
N12 Ni1 N9 C49 -145.0(14) . .
N11 Ni1 N9 C53 93.6(6) . .
N7 Ni1 N9 C53 -171.4(6) . .
N10 Ni1 N9 C53 1.0(6) . .
N8 Ni1 N9 C53 -91.2(6) . .
N12 Ni1 N9 C53 39.0(19) . .
N11 Ni1 N10 C60 91.1(9) . .
N7 Ni1 N10 C60 -120.3(17) . .
N9 Ni1 N10 C60 -174.2(9) . .
N8 Ni1 N10 C60 -83.9(9) . .
N12 Ni1 N10 C60 11.8(9) . .
N11 Ni1 N10 C57 -98.4(6) . .
N7 Ni1 N10 C57 50(2) . .
N9 Ni1 N10 C57 -3.6(6) . .
N8 Ni1 N10 C57 86.7(6) . .
N12 Ni1 N10 C57 -177.6(6) . .
N7 Ni1 N11 C61 -84.1(9) . .
N10 Ni1 N11 C61 91.0(9) . .
N9 Ni1 N11 C61 10.7(9) . .
N8 Ni1 N11 C61 -130(2) . .
N12 Ni1 N11 C61 -177.5(9) . .
N7 Ni1 N11 C65 94.2(6) . .
N10 Ni1 N11 C65 -90.6(6) . .
N9 Ni1 N11 C65 -171.0(6) . .
N8 Ni1 N11 C65 48(2) . .
N12 Ni1 N11 C65 0.9(6) . .
N11 Ni1 N12 C72 -178.0(8) . .
N7 Ni1 N12 C72 88.1(8) . .
N10 Ni1 N12 C72 -84.9(8) . .
N9 Ni1 N12 C72 -122.3(16) . .
N8 Ni1 N12 C72 7.6(8) . .
N11 Ni1 N12 C69 -2.9(6) . .
N7 Ni1 N12 C69 -96.8(6) . .
N10 Ni1 N12 C69 90.2(6) . .
N9 Ni1 N12 C69 52.8(18) . .
N8 Ni1 N12 C69 -177.3(6) . .
C33 N6 C36 C35 -2.1(15) . .
Ni2 N6 C36 C35 -176.3(8) . .
C34 C35 C36 N6 1.9(19) . .
C41 N7 C37 C38 -0.2(15) . .
Ni1 N7 C37 C38 178.2(8) . .
N7 C37 C38 C39 1.5(18) . .
C37 C38 C39 C40 -2.4(16) . .
C38 C39 C40 C41 2.1(15) . .
C38 C39 C40 C42 177.3(11) . .
C39 C40 C41 N7 -0.8(13) . .
C42 C40 C41 N7 -176.2(9) . .
C39 C40 C41 C45 -177.3(8) . .
C42 C40 C41 C45 7.3(14) . .
C37 N7 C41 C40 -0.2(13) . .
Ni1 N7 C41 C40 -178.8(7) . .
C37 N7 C41 C45 176.5(8) . .
Ni1 N7 C41 C45 -2.2(9) . .
C41 C40 C42 C43 -8.2(16) . .
C39 C40 C42 C43 176.7(10) . .
C40 C42 C43 C44 3.9(16) . .
C42 C43 C44 C45 1.3(15) . .
C42 C43 C44 C46 -176.6(10) . .
C48 N8 C45 C44 3.7(13) . .
Ni1 N8 C45 C44 -179.4(7) . .
C48 N8 C45 C41 -175.9(8) . .
Ni1 N8 C45 C41 1.0(9) . .
C46 C44 C45 N8 -3.8(13) . .
C43 C44 C45 N8 178.2(8) . .
C46 C44 C45 C41 175.8(8) . .
C43 C44 C45 C41 -2.2(12) . .
C40 C41 C45 N8 177.5(8) . .
N7 C41 C45 N8 0.8(11) . .
C40 C41 C45 C44 -2.1(13) . .
N7 C41 C45 C44 -178.9(8) . .
C45 C44 C46 C47 0.5(15) . .
C43 C44 C46 C47 178.4(10) . .
C44 C46 C47 C48 2.6(16) . .
C45 N8 C48 C47 -0.4(13) . .
Ni1 N8 C48 C47 -176.7(7) . .
C46 C47 C48 N8 -2.8(15) . .
C53 N9 C49 C50 -0.8(13) . .
Ni1 N9 C49 C50 -176.5(6) . .
N9 C49 C50 C51 -2.2(14) . .
C49 C50 C51 C52 3.9(14) . .
C50 C51 C52 C54 173.5(9) . .
C50 C51 C52 C53 -2.7(13) . .
C49 N9 C53 C52 2.0(13) . .
Ni1 N9 C53 C52 178.4(7) . .
C49 N9 C53 C57 -174.8(7) . .
Ni1 N9 C53 C57 1.6(9) . .
C54 C52 C53 N9 -176.5(9) . .
C51 C52 C53 N9 -0.2(13) . .
C54 C52 C53 C57 0.2(13) . .
C51 C52 C53 C57 176.5(8) . .
C53 C52 C54 C55 2.9(16) . .
C51 C52 C54 C55 -173.1(10) . .
C52 C54 C55 C56 -2.8(18) . .
C54 C55 C56 C58 176.1(12) . .
C54 C55 C56 C57 -0.4(18) . .
C60 N10 C57 C56 -1.1(15) . .
Ni1 N10 C57 C56 -172.9(8) . .
C60 N10 C57 C53 177.4(8) . .
Ni1 N10 C57 C53 5.7(10) . .
C58 C56 C57 N10 5.3(16) . .
C55 C56 C57 N10 -178.0(10) . .
C58 C56 C57 C53 -173.2(10) . .
C55 C56 C57 C53 3.4(16) . .
N9 C53 C57 N10 -5.0(12) . .
C52 C53 C57 N10 178.0(8) . .
N9 C53 C57 C56 173.6(9) . .
C52 C53 C57 C56 -3.4(13) . .
C57 C56 C58 C59 -6.9(19) . .
C55 C56 C58 C59 176.5(13) . .
C56 C58 C59 C60 5(2) . .
C57 N10 C60 C59 -1.4(16) . .
Ni1 N10 C60 C59 168.7(9) . .
C58 C59 C60 N10 0(2) . .
C65 N11 C61 C62 -0.2(15) . .
Ni1 N11 C61 C62 178.1(7) . .
N11 C61 C62 C63 -1.4(17) . .
C61 C62 C63 C64 3.1(17) . .
C62 C63 C64 C65 -3.0(16) . .
C62 C63 C64 C66 175.0(11) . .
C61 N11 C65 C64 0.2(14) . .
Ni1 N11 C65 C64 -178.4(7) . .
C61 N11 C65 C69 179.7(8) . .
Ni1 N11 C65 C69 1.2(10) . .
C63 C64 C65 N11 1.4(14) . .
C66 C64 C65 N11 -176.8(9) . .
C63 C64 C65 C69 -178.1(9) . .
C66 C64 C65 C69 3.7(14) . .
C65 C64 C66 C67 1.1(17) . .
C63 C64 C66 C67 -176.9(11) . .
C64 C66 C67 C68 -3(2) . .
C66 C67 C68 C70 -176.2(12) . .
C66 C67 C68 C69 0.1(18) . .
C72 N12 C69 C68 2.7(13) . .
Ni1 N12 C69 C68 -173.0(7) . .
C72 N12 C69 C65 -179.8(8) . .
Ni1 N12 C69 C65 4.5(10) . .
C67 C68 C69 N12 -177.8(10) . .
C70 C68 C69 N12 -1.0(14) . .
C67 C68 C69 C65 4.8(14) . .
C70 C68 C69 C65 -178.4(9) . .
N11 C65 C69 N12 -3.8(12) . .
C64 C65 C69 N12 175.7(8) . .
N11 C65 C69 C68 173.8(8) . .
C64 C65 C69 C68 -6.7(13) . .
C67 C68 C70 C71 175.1(12) . .
C69 C68 C70 C71 -1.3(16) . .
C68 C70 C71 C72 1.8(17) . .
C69 N12 C72 C71 -2.1(14) . .
Ni1 N12 C72 C71 172.8(7) . .
C70 C71 C72 N12 0.0(16) . .
