#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:26:59 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179579 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/44/4504497.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_4504497
loop_
_publ_author_name
'Zou, Ru-Qiang'
'Liu, Chun-Sen'
'Huang, Zheng'
'Hu, Tong-Liang'
'Bu, Xian-He'
_publ_section_title
;
 Syntheses, Structure, and Properties of the Metal Complexes with
 3-(2-Pyridyl)pyrazole-Based Ligands:  Tuning the Complex
 Structures by Ligand Modifications
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              99
_journal_paper_doi               10.1021/cg050210t
_journal_volume                  6
_journal_year                    2006
_chemical_formula_moiety
'C52 H48 N19 Ni2 O4, 2(B F4), O4 S, 4(H2 O), 4(C H4 O)'
_chemical_formula_structural
'2(Ni 2+), 2(C26 H20 N8), 2(B F4 -), O4 S 2-, 8(H2 O), 4(C H4 O)'
_chemical_formula_sum            'C56 H72 B2 F8 N16 Ni2 O16 S'
_chemical_formula_weight         1540.33
_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                109.508(10)
_cell_angle_beta                 107.144(9)
_cell_angle_gamma                90.923(9)
_cell_formula_units_Z            2
_cell_length_a                   13.818(8)
_cell_length_b                   16.645(8)
_cell_length_c                   20.937(11)
_cell_measurement_reflns_used    1054
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.98
_cell_measurement_theta_min      3.22
_cell_volume                     4302(4)
_computing_cell_refinement       SMART
_computing_data_collection       'BRUKER SMART, 1998'
_computing_data_reduction        'BRUKER SAINT, 1998'
_computing_molecular_graphics    'shelxtl (sheldrick, 1997b)'
_computing_publication_material  shelxtl
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'bruker ccd area-detector'
_diffrn_measurement_method       'φ and 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  0.0572
_diffrn_reflns_av_sigmaI/netI    0.1689
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24715
_diffrn_reflns_theta_full        26.51
_diffrn_reflns_theta_max         26.51
_diffrn_reflns_theta_min         2.16
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.540
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.717342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 1996'
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1588
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.936
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     946
_refine_ls_number_reflns         17324
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.2487
_refine_ls_R_factor_gt           0.1125
_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)+(0.1839P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2745
_refine_ls_wR_factor_ref         0.3636
_reflns_number_gt                6460
_reflns_number_total             17324
_reflns_threshold_expression     I>2sĬ)
_cod_data_source_file            cg050210tsi20051104_022830.cif
_cod_data_source_block           8
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504497
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
Ni1 Ni 0.11923(9) 0.78731(7) 0.77522(6) 0.0532(4) Uani 1 1 d . . .
Ni2 Ni 0.27117(8) 0.35911(7) 0.68041(5) 0.0508(3) Uani 1 1 d . . .
B1 B 0.3164(12) 0.2543(14) 0.0659(9) 0.112(6) Uani 1 1 d . . .
B2 B 0.154(4) 0.7618(15) 0.177(2) 0.206(18) Uani 1 1 d . . .
C1 C -0.0075(8) 0.9412(6) 0.7943(5) 0.070(3) Uani 1 1 d . . .
H1A H -0.0635 0.9014 0.7626 0.084 Uiso 1 1 calc R . .
C2 C -0.0226(10) 1.0258(7) 0.8234(6) 0.085(3) Uani 1 1 d . . .
H2A H -0.0874 1.0426 0.8115 0.101 Uiso 1 1 calc R . .
C3 C 0.0588(10) 1.0838(7) 0.8694(6) 0.090(3) Uani 1 1 d . . .
H3A H 0.0500 1.1409 0.8901 0.108 Uiso 1 1 calc R . .
C4 C 0.1561(9) 1.0581(6) 0.8861(5) 0.077(3) Uani 1 1 d . . .
H4A H 0.2122 1.0979 0.9176 0.092 Uiso 1 1 calc R . .
C5 C 0.1681(8) 0.9742(6) 0.8557(5) 0.062(2) Uani 1 1 d . . .
C6 C 0.2670(8) 0.9400(6) 0.8677(5) 0.064(2) Uani 1 1 d . . .
C7 C 0.3652(8) 0.9793(6) 0.9078(6) 0.083(3) Uani 1 1 d . . .
H7A H 0.3851 1.0367 0.9371 0.099 Uiso 1 1 calc R . .
C8 C 0.4254(8) 0.9183(7) 0.8959(6) 0.083(3) Uani 1 1 d . . .
H8A H 0.4960 0.9254 0.9162 0.100 Uiso 1 1 calc R . .
C9 C 0.3980(8) 0.7594(6) 0.8222(5) 0.066(2) Uani 1 1 d . . .
H9A H 0.4656 0.7665 0.8185 0.079 Uiso 1 1 calc R . .
H9B H 0.3516 0.7282 0.7746 0.079 Uiso 1 1 calc R . .
C10 C 0.3997(6) 0.7065(5) 0.8690(4) 0.053(2) Uani 1 1 d . . .
C11 C 0.3939(7) 0.6983(7) 0.9741(5) 0.067(3) Uani 1 1 d . . .
C12 C 0.3848(9) 0.7369(8) 1.0433(6) 0.095(4) Uani 1 1 d . . .
H12A H 0.3779 0.7950 1.0605 0.114 Uiso 1 1 calc R . .
C13 C 0.3864(10) 0.6877(11) 1.0843(6) 0.105(4) Uani 1 1 d . . .
H13A H 0.3840 0.7136 1.1305 0.126 Uiso 1 1 calc R . .
C14 C 0.3914(10) 0.6022(10) 1.0593(6) 0.105(4) Uani 1 1 d . . .
H14A H 0.3872 0.5691 1.0867 0.125 Uiso 1 1 calc R . .
C15 C 0.4029(9) 0.5644(8) 0.9928(5) 0.084(3) Uani 1 1 d . . .
H15A H 0.4103 0.5063 0.9771 0.101 Uiso 1 1 calc R . .
C16 C 0.4038(7) 0.6104(6) 0.9492(5) 0.061(2) Uani 1 1 d . . .
C17 C 0.4155(6) 0.6181(5) 0.8449(4) 0.052(2) Uani 1 1 d . . .
C18 C 0.4296(7) 0.5774(5) 0.7735(4) 0.058(2) Uani 1 1 d . . .
H18A H 0.3634 0.5651 0.7369 0.070 Uiso 1 1 calc R . .
H18B H 0.4715 0.6184 0.7659 0.070 Uiso 1 1 calc R . .
C19 C 0.5784(7) 0.4933(6) 0.7861(5) 0.063(2) Uani 1 1 d . . .
H19A H 0.6298 0.5395 0.8108 0.075 Uiso 1 1 calc R . .
C20 C 0.5913(8) 0.4092(6) 0.7655(5) 0.065(2) Uani 1 1 d . . .
H20A H 0.6527 0.3861 0.7734 0.078 Uiso 1 1 calc R . .
C21 C 0.4929(7) 0.3643(6) 0.7296(4) 0.055(2) Uani 1 1 d . . .
C22 C 0.4561(7) 0.2724(5) 0.6943(4) 0.059(2) Uani 1 1 d . . .
C23 C 0.5203(9) 0.2097(7) 0.6922(6) 0.083(3) Uani 1 1 d . . .
H23A H 0.5906 0.2241 0.7129 0.099 Uiso 1 1 calc R . .
C24 C 0.4764(11) 0.1235(7) 0.6579(7) 0.104(4) Uani 1 1 d . . .
H24A H 0.5168 0.0795 0.6587 0.125 Uiso 1 1 calc R . .
C25 C 0.3729(10) 0.1051(7) 0.6230(6) 0.094(4) Uani 1 1 d . . .
H25A H 0.3433 0.0486 0.5969 0.113 Uiso 1 1 calc R . .
C26 C 0.3131(8) 0.1716(6) 0.6272(5) 0.076(3) Uani 1 1 d . . .
H26A H 0.2428 0.1583 0.6054 0.091 Uiso 1 1 calc R . .
C27 C 0.3292(8) 0.3546(6) 0.8343(5) 0.069(3) Uani 1 1 d . . .
H27A H 0.3906 0.3864 0.8427 0.083 Uiso 1 1 calc R . .
C28 C 0.3167(9) 0.3300(7) 0.8877(5) 0.080(3) Uani 1 1 d . . .
H28A H 0.3691 0.3422 0.9307 0.096 Uiso 1 1 calc R . .
C29 C 0.2229(11) 0.2861(7) 0.8755(6) 0.096(4) Uani 1 1 d . . .
H29A H 0.2110 0.2701 0.9114 0.115 Uiso 1 1 calc R . .
C30 C 0.1469(9) 0.2660(7) 0.8101(5) 0.084(3) Uani 1 1 d . . .
H30A H 0.0837 0.2374 0.8022 0.101 Uiso 1 1 calc R . .
C31 C 0.1652(8) 0.2886(6) 0.7573(5) 0.066(2) Uani 1 1 d . . .
C32 C 0.0933(7) 0.2673(6) 0.6872(5) 0.062(2) Uani 1 1 d . . .
C33 C -0.0047(9) 0.2288(8) 0.6597(6) 0.101(4) Uani 1 1 d . . .
H33A H -0.0421 0.2082 0.6827 0.121 Uiso 1 1 calc R . .
C34 C -0.0373(9) 0.2270(8) 0.5887(7) 0.099(4) Uani 1 1 d . . .
H34A H -0.1010 0.2041 0.5547 0.119 Uiso 1 1 calc R . .
C35 C 0.0448(7) 0.2802(6) 0.5167(5) 0.070(3) Uani 1 1 d . . .
H35A H 0.0830 0.3361 0.5308 0.085 Uiso 1 1 calc R . .
H35B H -0.0244 0.2818 0.4885 0.085 Uiso 1 1 calc R . .
C36 C 0.0926(7) 0.2129(6) 0.4704(4) 0.063(2) Uani 1 1 d . . .
C37 C 0.1560(8) 0.0836(6) 0.4408(6) 0.075(3) Uani 1 1 d . . .
C38 C 0.1767(10) 0.0042(8) 0.4535(7) 0.106(4) Uani 1 1 d . . .
H38A H 0.1606 -0.0068 0.4902 0.127 Uiso 1 1 calc R . .
C39 C 0.2203(11) -0.0543(8) 0.4107(10) 0.123(5) Uani 1 1 d . . .
H39A H 0.2321 -0.1065 0.4168 0.147 Uiso 1 1 calc R . .
C40 C 0.2473(12) -0.0347(10) 0.3571(10) 0.128(6) Uani 1 1 d . . .
H40A H 0.2790 -0.0739 0.3292 0.154 Uiso 1 1 calc R . .
C41 C 0.2290(11) 0.0372(10) 0.3453(7) 0.121(5) Uani 1 1 d . . .
H41A H 0.2475 0.0476 0.3093 0.145 Uiso 1 1 calc R . .
C42 C 0.1811(8) 0.0995(8) 0.3872(6) 0.085(3) Uani 1 1 d . . .
C43 C 0.1158(7) 0.2278(6) 0.4137(5) 0.066(2) Uani 1 1 d . . .
C44 C -0.0932(9) 0.6922(7) 0.6018(5) 0.079(3) Uani 1 1 d . . .
H44A H -0.1369 0.6439 0.5622 0.095 Uiso 1 1 calc R . .
H44B H -0.0231 0.6840 0.6039 0.095 Uiso 1 1 calc R . .
C45 C -0.1885(11) 0.6587(10) 0.6755(8) 0.130(5) Uani 1 1 d . . .
H45A H -0.2485 0.6301 0.6392 0.156 Uiso 1 1 calc R . .
C46 C -0.1696(11) 0.6746(12) 0.7468(9) 0.147(7) Uani 1 1 d . . .
H46A H -0.2138 0.6608 0.7686 0.176 Uiso 1 1 calc R . .
C47 C -0.0717(9) 0.7153(7) 0.7790(6) 0.077(3) Uani 1 1 d . . .
C48 C -0.0056(9) 0.7411(6) 0.8520(6) 0.073(3) Uani 1 1 d . . .
C49 C -0.0401(10) 0.7305(8) 0.9048(7) 0.099(4) Uani 1 1 d . . .
H49A H -0.1074 0.7088 0.8949 0.119 Uiso 1 1 calc R . .
C50 C 0.0292(13) 0.7532(9) 0.9727(7) 0.108(4) Uani 1 1 d . . .
H50A H 0.0094 0.7450 1.0091 0.129 Uiso 1 1 calc R . .
C51 C 0.1285(11) 0.7884(9) 0.9867(6) 0.098(4) Uani 1 1 d . . .
H51A H 0.1750 0.8055 1.0326 0.118 Uiso 1 1 calc R . .
C52 C 0.1566(9) 0.7975(6) 0.9318(5) 0.074(3) Uani 1 1 d . . .
H52A H 0.2228 0.8213 0.9410 0.089 Uiso 1 1 calc R . .
C53 C 0.1150(18) 1.0122(14) 0.6668(13) 0.194(9) Uani 1 1 d . . .
C54 C 0.382(3) 0.1362(17) 0.810(2) 0.32(2) Uani 1 1 d . . .
C55 C 0.1425(19) 0.5431(15) 0.8754(13) 0.197(9) Uani 1 1 d . . .
C56 C 0.139(3) 0.505(3) 0.096(3) 0.35(3) Uani 1 1 d . . .
N1 N 0.0857(6) 0.9138(4) 0.8100(4) 0.0583(18) Uani 1 1 d . . .
N2 N 0.2678(5) 0.8554(4) 0.8316(3) 0.0512(17) Uani 1 1 d . . .
N3 N 0.3665(6) 0.8437(5) 0.8493(4) 0.0609(19) Uani 1 1 d . . .
N4 N 0.3912(6) 0.7460(5) 0.9321(4) 0.067(2) Uani 1 1 d . . .
N5 N 0.4156(6) 0.5707(5) 0.8836(4) 0.0612(19) Uani 1 1 d . . .
N6 N 0.4770(6) 0.4978(4) 0.7643(4) 0.0559(18) Uani 1 1 d . . .
N7 N 0.4237(5) 0.4199(4) 0.7300(3) 0.0487(16) Uani 1 1 d . . .
N8 N 0.3526(6) 0.2540(4) 0.6613(3) 0.0549(18) Uani 1 1 d . . .
N9 N 0.2567(6) 0.3352(4) 0.7697(3) 0.0547(17) Uani 1 1 d . . .
N10 N 0.1244(6) 0.2888(4) 0.6387(4) 0.0566(18) Uani 1 1 d . . .
N11 N 0.0420(6) 0.2651(5) 0.5797(4) 0.069(2) Uani 1 1 d . . .
N12 N 0.1103(6) 0.1408(5) 0.4843(4) 0.075(2) Uani 1 1 d . . .
N13 N 0.1599(7) 0.1731(6) 0.3724(5) 0.086(3) Uani 1 1 d . . .
N14 N -0.1069(7) 0.6908(6) 0.6667(4) 0.079(2) Uani 1 1 d . . .
N15 N -0.0332(6) 0.7261(4) 0.7312(4) 0.063(2) Uani 1 1 d . . .
N16 N 0.0905(7) 0.7727(5) 0.8642(4) 0.063(2) Uani 1 1 d . . .
O1 O 0.1291(5) 0.7980(4) 0.6809(3) 0.0681(17) Uani 1 1 d . . .
O1W O 0.0916(19) 0.522(2) 0.2298(17) 0.401(16) Uani 1 1 d . . .
O2 O 0.1689(5) 0.6667(3) 0.7491(3) 0.0685(17) Uani 1 1 d . . .
O2W O 0.0310(9) 0.4920(8) 0.6059(7) 0.178(5) Uani 1 1 d . . .
O3 O 0.2015(5) 0.4704(4) 0.7030(3) 0.0718(18) Uani 1 1 d . . .
O3W O 0.7165(19) 0.193(4) 0.487(4) 1.04(8) Uani 1 1 d . . .
O4 O 0.2715(5) 0.3749(4) 0.5858(3) 0.0700(17) Uani 1 1 d . . .
O4W O 0.4053(16) 0.3103(13) 0.5211(13) 0.301(11) Uani 1 1 d . . .
O5 O 0.2043(15) 0.7048(13) 0.5649(13) 0.147(8) Uani 0.50 1 d P A 1
O6 O 0.3329(9) 0.6276(9) 0.5493(9) 0.161(6) Uani 0.80 1 d P A 1
O7 O 0.2573(15) 0.6190(18) 0.6449(7) 0.133(8) Uani 0.50 1 d P A 1
O8 O 0.202(3) 0.5097(12) 0.5128(14) 0.276(16) Uani 0.60 1 d P A 1
O5' O 0.275(2) 0.7003(18) 0.6361(15) 0.174(9) Uani 0.50 1 d PU A 2
O6' O 0.1133(16) 0.6121(13) 0.5701(11) 0.032(5) Uani 0.20 1 d PU A 2
O7' O 0.2851(17) 0.5390(14) 0.5946(18) 0.174(11) Uani 0.50 1 d P A 2
O8' O 0.1675(19) 0.596(2) 0.4780(10) 0.141(10) Uani 0.40 1 d P A 2
O9 O 0.1777(10) 0.9542(7) 0.6826(7) 0.169(5) Uani 1 1 d . . .
O10 O 0.3759(16) 0.0463(18) 0.7704(13) 0.287(10) Uani 1 1 d . . .
O11 O 0.0966(10) 0.5403(7) 0.7987(7) 0.155(4) Uani 1 1 d . . .
O12 O 0.161(5) 0.427(6) 0.032(4) 1.00(12) Uani 1 1 d . . .
F1 F 0.3621(8) 0.3136(11) 0.0451(7) 0.242(7) Uani 1 1 d . . .
F2 F 0.2184(5) 0.2360(5) 0.0249(4) 0.124(3) Uani 1 1 d . . .
F3 F 0.3385(9) 0.2919(6) 0.1335(5) 0.178(4) Uani 1 1 d . . .
F4 F 0.3628(9) 0.1812(8) 0.0475(8) 0.248(8) Uani 1 1 d . . .
F5 F 0.127(2) 0.6999(14) 0.1211(8) 0.389(16) Uani 1 1 d . . .
F6 F 0.2206(13) 0.7294(13) 0.2235(13) 0.347(14) Uani 1 1 d . . .
F7 F 0.0957(10) 0.7927(10) 0.2059(13) 0.271(8) Uani 1 1 d . . .
F8 F 0.2176(16) 0.8211(10) 0.1752(9) 0.287(9) Uani 1 1 d . . .
S1 S 0.2320(4) 0.6038(3) 0.5606(2) 0.1273(15) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O2 Ni1 O1 90.7(2) . .
O2 Ni1 N1 173.5(3) . .
O1 Ni1 N1 91.1(2) . .
O2 Ni1 N16 90.6(3) . .
O1 Ni1 N16 173.2(3) . .
N1 Ni1 N16 88.3(3) . .
O2 Ni1 N15 88.8(3) . .
O1 Ni1 N15 95.8(3) . .
N1 Ni1 N15 97.2(3) . .
N16 Ni1 N15 77.5(3) . .
O2 Ni1 N2 94.8(3) . .
O1 Ni1 N2 90.4(3) . .
N1 Ni1 N2 79.0(3) . .
N16 Ni1 N2 96.1(3) . .
N15 Ni1 N2 172.8(3) . .
O3 Ni2 O4 87.8(2) . .
O3 Ni2 N8 175.3(3) . .
O4 Ni2 N8 91.7(3) . .
O3 Ni2 N9 92.6(3) . .
O4 Ni2 N9 174.2(3) . .
N8 Ni2 N9 88.4(3) . .
O3 Ni2 N10 87.7(3) . .
O4 Ni2 N10 96.0(3) . .
N8 Ni2 N10 97.0(3) . .
N9 Ni2 N10 78.2(3) . .
O3 Ni2 N7 96.7(3) . .
O4 Ni2 N7 89.8(2) . .
N8 Ni2 N7 78.6(3) . .
N9 Ni2 N7 96.0(3) . .
N10 Ni2 N7 172.9(2) . .
F3 B1 F2 119.4(14) . .
F3 B1 F4 113.0(17) . .
F2 B1 F4 107.9(14) . .
F3 B1 F1 103.4(15) . .
F2 B1 F1 106.4(15) . .
F4 B1 F1 105.5(14) . .
F7 B2 F5 121(4) . .
F7 B2 F8 112(2) . .
F5 B2 F8 113(2) . .
F7 B2 F6 105(3) . .
F5 B2 F6 103(3) . .
F8 B2 F6 101(4) . .
N1 C1 C2 122.7(10) . .
N1 C1 H1A 118.6 . .
C2 C1 H1A 118.6 . .
C3 C2 C1 118.7(10) . .
C3 C2 H2A 120.7 . .
C1 C2 H2A 120.7 . .
C2 C3 C4 120.1(10) . .
C2 C3 H3A 119.9 . .
C4 C3 H3A 119.9 . .
C5 C4 C3 119.5(10) . .
C5 C4 H4A 120.2 . .
C3 C4 H4A 120.3 . .
C4 C5 N1 121.2(9) . .
C4 C5 C6 124.4(9) . .
N1 C5 C6 114.5(7) . .
N2 C6 C7 110.3(8) . .
N2 C6 C5 117.8(8) . .
C7 C6 C5 131.8(9) . .
C8 C7 C6 105.8(9) . .
C8 C7 H7A 127.1 . .
C6 C7 H7A 127.1 . .
C7 C8 N3 108.6(10) . .
C7 C8 H8A 125.7 . .
N3 C8 H8A 125.7 . .
N3 C9 C10 113.2(7) . .
N3 C9 H9A 108.9 . .
C10 C9 H9A 108.9 . .
N3 C9 H9B 108.9 . .
C10 C9 H9B 108.9 . .
H9A C9 H9B 107.7 . .
N4 C10 C17 122.5(8) . .
N4 C10 C9 117.4(8) . .
C17 C10 C9 120.0(7) . .
N4 C11 C16 120.6(8) . .
N4 C11 C12 120.2(10) . .
C16 C11 C12 119.2(10) . .
C13 C12 C11 119.3(11) . .
C13 C12 H12A 120.4 . .
C11 C12 H12A 120.4 . .
C14 C13 C12 121.6(11) . .
C14 C13 H13A 119.2 . .
C12 C13 H13A 119.2 . .
C13 C14 C15 119.5(12) . .
C13 C14 H14A 120.3 . .
C15 C14 H14A 120.3 . .
C16 C15 C14 121.8(12) . .
C16 C15 H15A 119.1 . .
C14 C15 H15A 119.1 . .
C15 C16 N5 120.1(9) . .
C15 C16 C11 118.4(9) . .
N5 C16 C11 121.5(8) . .
N5 C17 C10 121.3(8) . .
N5 C17 C18 118.5(8) . .
C10 C17 C18 120.2(7) . .
N6 C18 C17 114.8(7) . .
N6 C18 H18A 108.6 . .
C17 C18 H18A 108.6 . .
N6 C18 H18B 108.6 . .
C17 C18 H18B 108.6 . .
H18A C18 H18B 107.5 . .
N6 C19 C20 107.5(8) . .
N6 C19 H19A 126.3 . .
C20 C19 H19A 126.3 . .
C19 C20 C21 105.5(8) . .
C19 C20 H20A 127.2 . .
C21 C20 H20A 127.2 . .
N7 C21 C20 109.8(8) . .
N7 C21 C22 118.1(8) . .
C20 C21 C22 132.1(8) . .
N8 C22 C23 122.8(9) . .
N8 C22 C21 114.2(7) . .
C23 C22 C21 122.9(9) . .
C22 C23 C24 118.0(11) . .
C22 C23 H23A 121.0 . .
C24 C23 H23A 121.0 . .
C25 C24 C23 119.1(10) . .
C25 C24 H24A 120.5 . .
C23 C24 H24A 120.5 . .
C24 C25 C26 119.4(10) . .
C24 C25 H25A 120.3 . .
C26 C25 H25A 120.3 . .
N8 C26 C25 122.5(10) . .
N8 C26 H26A 118.8 . .
C25 C26 H26A 118.8 . .
N9 C27 C28 123.3(10) . .
N9 C27 H27A 118.3 . .
C28 C27 H27A 118.3 . .
C27 C28 C29 117.7(10) . .
C27 C28 H28A 121.2 . .
C29 C28 H28A 121.2 . .
C28 C29 C30 120.2(9) . .
C28 C29 H29A 119.9 . .
C30 C29 H29A 119.9 . .
C31 C30 C29 119.7(10) . .
C31 C30 H30A 120.2 . .
C29 C30 H30A 120.1 . .
C30 C31 N9 120.7(9) . .
C30 C31 C32 123.7(10) . .
N9 C31 C32 115.7(8) . .
N10 C32 C33 112.2(9) . .
N10 C32 C31 117.3(9) . .
C33 C32 C31 130.5(9) . .
C32 C33 C34 104.7(9) . .
C32 C33 H33A 127.7 . .
C34 C33 H33A 127.7 . .
N11 C34 C33 106.5(10) . .
N11 C34 H34A 126.8 . .
C33 C34 H34A 126.8 . .
N11 C35 C36 113.6(8) . .
N11 C35 H35A 108.8 . .
C36 C35 H35A 108.8 . .
N11 C35 H35B 108.8 . .
C36 C35 H35B 108.8 . .
H35A C35 H35B 107.7 . .
N12 C36 C43 122.1(9) . .
N12 C36 C35 118.8(8) . .
C43 C36 C35 119.2(9) . .
C42 C37 N12 122.6(9) . .
C42 C37 C38 120.1(11) . .
N12 C37 C38 117.4(11) . .
C39 C38 C37 118.9(14) . .
C39 C38 H38A 120.6 . .
C37 C38 H38A 120.6 . .
C38 C39 C40 119.4(14) . .
C38 C39 H39A 120.3 . .
C40 C39 H39A 120.3 . .
C41 C40 C39 122.0(16) . .
C41 C40 H40A 119.0 . .
C39 C40 H40A 119.0 . .
C40 C41 C42 120.9(16) . .
C40 C41 H41A 119.5 . .
C42 C41 H41A 119.5 . .
C37 C42 N13 121.5(10) . .
C37 C42 C41 118.7(12) . .
N13 C42 C41 119.8(13) . .
N13 C43 C36 122.5(9) . .
N13 C43 C44 116.4(9) . 2_566
C36 C43 C44 121.1(9) . 2_566
N14 C44 C43 115.2(9) . 2_566
N14 C44 H44A 108.5 . .
C43 C44 H44A 108.5 2_566 .
N14 C44 H44B 108.5 . .
C43 C44 H44B 108.5 2_566 .
H44A C44 H44B 107.5 . .
N14 C45 C46 108.5(12) . .
N14 C45 H45A 125.7 . .
C46 C45 H45A 125.7 . .
C45 C46 C47 105.1(12) . .
C45 C46 H46A 127.5 . .
C47 C46 H46A 127.5 . .
N15 C47 C46 110.5(11) . .
N15 C47 C48 117.9(10) . .
C46 C47 C48 131.4(10) . .
N16 C48 C49 123.0(11) . .
N16 C48 C47 115.8(8) . .
C49 C48 C47 121.2(11) . .
C50 C49 C48 117.6(12) . .
C50 C49 H49A 121.2 . .
C48 C49 H49A 121.2 . .
C49 C50 C51 120.0(10) . .
C49 C50 H50A 120.0 . .
C51 C50 H50A 120.0 . .
C52 C51 C50 118.9(12) . .
C52 C51 H51A 120.6 . .
C50 C51 H51A 120.6 . .
N16 C52 C51 121.8(11) . .
N16 C52 H52A 119.1 . .
C51 C52 H52A 119.1 . .
C1 N1 C5 117.8(8) . .
C1 N1 Ni1 127.1(7) . .
C5 N1 Ni1 115.1(6) . .
N3 N2 C6 104.8(7) . .
N3 N2 Ni1 142.0(5) . .
C6 N2 Ni1 113.0(6) . .
N2 N3 C8 110.4(7) . .
N2 N3 C9 121.1(7) . .
C8 N3 C9 128.4(8) . .
C10 N4 C11 117.1(8) . .
C17 N5 C16 116.9(8) . .
N7 N6 C19 111.4(7) . .
N7 N6 C18 123.1(7) . .
C19 N6 C18 125.4(8) . .
N6 N7 C21 105.8(7) . .
N6 N7 Ni2 141.0(5) . .
C21 N7 Ni2 113.2(6) . .
C26 N8 C22 117.9(7) . .
C26 N8 Ni2 126.4(7) . .
C22 N8 Ni2 115.2(5) . .
C27 N9 C31 118.3(8) . .
C27 N9 Ni2 127.0(6) . .
C31 N9 Ni2 114.4(6) . .
N11 N10 C32 104.7(7) . .
N11 N10 Ni2 140.5(6) . .
C32 N10 Ni2 114.2(6) . .
N10 N11 C34 111.9(8) . .
N10 N11 C35 120.9(8) . .
C34 N11 C35 127.1(9) . .
C36 N12 C37 115.2(9) . .
C43 N13 C42 116.1(9) . .
C45 N14 N15 109.3(10) . .
C45 N14 C44 128.3(10) . .
N15 N14 C44 122.4(9) . .
C47 N15 N14 106.4(9) . .
C47 N15 Ni1 113.8(7) . .
N14 N15 Ni1 139.8(6) . .
C48 N16 C52 118.5(8) . .
C48 N16 Ni1 114.7(6) . .
C52 N16 Ni1 126.6(7) . .
O8 S1 O7' 65.0(15) . .
O8 S1 O6 102.9(15) . .
O7' S1 O6 89.5(11) . .
O8 S1 O7 113.2(16) . .
O7' S1 O7 57.5(12) . .
O6 S1 O7 107.4(10) . .
O8 S1 O8' 70.0(15) . .
O7' S1 O8' 133.7(16) . .
O6 S1 O8' 90.2(11) . .
O7 S1 O8' 160.2(12) . .
O8 S1 O5 142.4(16) . .
O7' S1 O5 152.3(15) . .
O6 S1 O5 87.1(9) . .
O7 S1 O5 97.5(13) . .
O8' S1 O5 73.8(13) . .
O8 S1 O6' 92.1(16) . .
O7' S1 O6' 109.7(12) . .
O6 S1 O6' 159.6(9) . .
O7 S1 O6' 78.5(10) . .
O8' S1 O6' 81.8(12) . .
O5 S1 O6' 72.6(10) . .
O8 S1 O5' 163.3(17) . .
O7' S1 O5' 99.6(16) . .
O6 S1 O5' 82.7(11) . .
O7 S1 O5' 50.3(11) . .
O8' S1 O5' 126.2(15) . .
O5 S1 O5' 52.6(12) . .
O6' S1 O5' 86.9(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O2 2.081(5) .
Ni1 O1 2.083(6) .
Ni1 N1 2.094(7) .
Ni1 N16 2.103(7) .
Ni1 N15 2.117(8) .
Ni1 N2 2.120(7) .
Ni2 O3 2.079(6) .
Ni2 O4 2.084(6) .
Ni2 N8 2.085(7) .
Ni2 N9 2.099(7) .
Ni2 N10 2.108(8) .
Ni2 N7 2.117(7) .
B1 F3 1.279(17) .
B1 F2 1.338(15) .
B1 F4 1.38(2) .
B1 F1 1.41(2) .
B2 F7 1.18(2) .
B2 F5 1.22(3) .
B2 F8 1.32(3) .
B2 F6 1.39(5) .
C1 N1 1.359(11) .
C1 C2 1.382(13) .
C1 H1A 0.9300 .
C2 C3 1.353(15) .
C2 H2A 0.9300 .
C3 C4 1.398(15) .
C3 H3A 0.9300 .
C4 C5 1.364(12) .
C4 H4A 0.9300 .
C5 N1 1.378(12) .
C5 C6 1.473(13) .
C6 N2 1.360(10) .
C6 C7 1.381(13) .
C7 C8 1.329(13) .
C7 H7A 0.9300 .
C8 N3 1.358(12) .
C8 H8A 0.9300 .
C9 N3 1.455(11) .
C9 C10 1.513(12) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N4 1.306(10) .
C10 C17 1.431(11) .
C11 N4 1.361(11) .
C11 C16 1.404(13) .
C11 C12 1.418(13) .
C12 C13 1.367(16) .
C12 H12A 0.9300 .
C13 C14 1.354(17) .
C13 H13A 0.9300 .
C14 C15 1.381(15) .
C14 H14A 0.9300 .
C15 C16 1.376(13) .
C15 H15A 0.9300 .
C16 N5 1.372(11) .
C17 N5 1.307(10) .
C17 C18 1.494(11) .
C18 N6 1.466(10) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 N6 1.351(11) .
C19 C20 1.352(12) .
C19 H19A 0.9300 .
C20 C21 1.401(12) .
C20 H20A 0.9300 .
C21 N7 1.342(10) .
C21 C22 1.464(12) .
C22 N8 1.370(11) .
C22 C23 1.378(12) .
C23 C24 1.402(15) .
C23 H23A 0.9300 .
C24 C25 1.377(16) .
C24 H24A 0.9300 .
C25 C26 1.387(14) .
C25 H25A 0.9300 .
C26 N8 1.335(11) .
C26 H26A 0.9300 .
C27 N9 1.356(11) .
C27 C28 1.365(12) .
C27 H27A 0.9300 .
C28 C29 1.389(15) .
C28 H28A 0.9300 .
C29 C30 1.388(15) .
C29 H29A 0.9300 .
C30 C31 1.365(12) .
C30 H30A 0.9300 .
C31 N9 1.382(11) .
C31 C32 1.432(13) .
C32 N10 1.357(11) .
C32 C33 1.357(13) .
C33 C34 1.411(15) .
C33 H33A 0.9300 .
C34 N11 1.348(13) .
C34 H34A 0.9300 .
C35 N11 1.435(11) .
C35 C36 1.519(12) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 N12 1.336(11) .
C36 C43 1.412(13) .
C37 C42 1.369(15) .
C37 N12 1.383(13) .
C37 C38 1.451(15) .
C38 C39 1.367(18) .
C38 H38A 0.9300 .
C39 C40 1.41(2) .
C39 H39A 0.9300 .
C40 C41 1.313(19) .
C40 H40A 0.9300 .
C41 C42 1.428(15) .
C41 H41A 0.9300 .
C42 N13 1.376(14) .
C43 N13 1.322(12) .
C43 C44 1.489(13) 2_566
C44 N14 1.435(12) .
C44 C43 1.489(13) 2_566
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 N14 1.326(14) .
C45 C46 1.367(18) .
C45 H45A 0.9300 .
C46 C47 1.368(17) .
C46 H46A 0.9300 .
C47 N15 1.321(11) .
C47 C48 1.442(14) .
C48 N16 1.340(12) .
C48 C49 1.385(13) .
C49 C50 1.380(17) .
C49 H49A 0.9300 .
C50 C51 1.391(18) .
C50 H50A 0.9300 .
C51 C52 1.368(14) .
C51 H51A 0.9300 .
C52 N16 1.357(12) .
C52 H52A 0.9300 .
C53 O9 1.37(2) .
C54 O10 1.44(3) .
C55 O11 1.53(2) .
C56 O12 1.64(6) .
N2 N3 1.339(9) .
N6 N7 1.332(9) .
N10 N11 1.344(9) .
N14 N15 1.358(10) .
O5 S1 1.709(16) .
O6 S1 1.547(10) .
O7 S1 1.622(12) .
O8 S1 1.521(14) .
O5' S1 1.77(3) .
O6' S1 1.71(2) .
O7' S1 1.560(14) .
O8' S1 1.655(16) .
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
N1 C1 C2 C3 0.0(15) . .
C1 C2 C3 C4 0.9(17) . .
C2 C3 C4 C5 -0.3(17) . .
C3 C4 C5 N1 -1.3(14) . .
C3 C4 C5 C6 178.4(9) . .
C4 C5 C6 N2 -177.5(8) . .
N1 C5 C6 N2 2.3(12) . .
C4 C5 C6 C7 -1.2(17) . .
N1 C5 C6 C7 178.6(10) . .
N2 C6 C7 C8 -0.1(12) . .
C5 C6 C7 C8 -176.6(10) . .
C6 C7 C8 N3 0.7(13) . .
N3 C9 C10 N4 -11.6(12) . .
N3 C9 C10 C17 171.5(8) . .
N4 C11 C12 C13 179.2(10) . .
C16 C11 C12 C13 0.3(16) . .
C11 C12 C13 C14 -3(2) . .
C12 C13 C14 C15 5(2) . .
C13 C14 C15 C16 -3.7(19) . .
C14 C15 C16 N5 179.8(10) . .
C14 C15 C16 C11 0.8(16) . .
N4 C11 C16 C15 -178.0(9) . .
C12 C11 C16 C15 0.9(14) . .
N4 C11 C16 N5 3.0(14) . .
C12 C11 C16 N5 -178.1(9) . .
N4 C10 C17 N5 4.5(13) . .
C9 C10 C17 N5 -178.8(8) . .
N4 C10 C17 C18 -177.1(8) . .
C9 C10 C17 C18 -0.4(12) . .
N5 C17 C18 N6 -20.4(11) . .
C10 C17 C18 N6 161.2(7) . .
N6 C19 C20 C21 0.8(9) . .
C19 C20 C21 N7 -1.0(10) . .
C19 C20 C21 C22 179.1(9) . .
N7 C21 C22 N8 3.7(11) . .
C20 C21 C22 N8 -176.4(8) . .
N7 C21 C22 C23 -178.4(8) . .
C20 C21 C22 C23 1.5(15) . .
N8 C22 C23 C24 -3.4(15) . .
C21 C22 C23 C24 178.9(9) . .
C22 C23 C24 C25 5.1(18) . .
C23 C24 C25 C26 -5.0(19) . .
C24 C25 C26 N8 3.1(18) . .
N9 C27 C28 C29 -3.0(16) . .
C27 C28 C29 C30 2.2(17) . .
C28 C29 C30 C31 0.9(18) . .
C29 C30 C31 N9 -3.4(16) . .
C29 C30 C31 C32 177.1(10) . .
C30 C31 C32 N10 -175.6(9) . .
N9 C31 C32 N10 4.9(12) . .
C30 C31 C32 C33 5.3(18) . .
N9 C31 C32 C33 -174.2(11) . .
N10 C32 C33 C34 -0.6(13) . .
C31 C32 C33 C34 178.6(10) . .
C32 C33 C34 N11 -0.8(14) . .
N11 C35 C36 N12 11.4(12) . .
N11 C35 C36 C43 -169.3(8) . .
C42 C37 C38 C39 -0.8(17) . .
N12 C37 C38 C39 179.0(10) . .
C37 C38 C39 C40 2(2) . .
C38 C39 C40 C41 -2(2) . .
C39 C40 C41 C42 0(2) . .
N12 C37 C42 N13 -1.6(16) . .
C38 C37 C42 N13 178.1(10) . .
N12 C37 C42 C41 179.4(10) . .
C38 C37 C42 C41 -0.8(16) . .
C40 C41 C42 C37 1.0(19) . .
C40 C41 C42 N13 -178.0(13) . .
N12 C36 C43 N13 -2.6(14) . .
C35 C36 C43 N13 178.2(9) . .
N12 C36 C43 C44 178.6(9) . 2_566
C35 C36 C43 C44 -0.6(13) . 2_566
N14 C45 C46 C47 -1.8(19) . .
C45 C46 C47 N15 1.7(17) . .
C45 C46 C47 C48 -173.5(12) . .
N15 C47 C48 N16 -1.2(14) . .
C46 C47 C48 N16 173.7(14) . .
N15 C47 C48 C49 -178.9(10) . .
C46 C47 C48 C49 -4(2) . .
N16 C48 C49 C50 -0.5(17) . .
C47 C48 C49 C50 177.1(10) . .
C48 C49 C50 C51 2.3(18) . .
C49 C50 C51 C52 -1.9(19) . .
C50 C51 C52 N16 -0.4(16) . .
C2 C1 N1 C5 -1.5(13) . .
C2 C1 N1 Ni1 176.1(7) . .
C4 C5 N1 C1 2.2(13) . .
C6 C5 N1 C1 -177.6(7) . .
C4 C5 N1 Ni1 -175.7(7) . .
C6 C5 N1 Ni1 4.5(9) . .
O2 Ni1 N1 C1 -168(2) . .
O1 Ni1 N1 C1 85.5(7) . .
N16 Ni1 N1 C1 -87.7(7) . .
N15 Ni1 N1 C1 -10.5(7) . .
N2 Ni1 N1 C1 175.7(7) . .
O2 Ni1 N1 C5 9(3) . .
O1 Ni1 N1 C5 -96.8(6) . .
N16 Ni1 N1 C5 90.0(6) . .
N15 Ni1 N1 C5 167.2(6) . .
N2 Ni1 N1 C5 -6.5(6) . .
C7 C6 N2 N3 -0.6(10) . .
C5 C6 N2 N3 176.5(7) . .
C7 C6 N2 Ni1 175.2(7) . .
C5 C6 N2 Ni1 -7.7(9) . .
O2 Ni1 N2 N3 2.8(8) . .
O1 Ni1 N2 N3 -88.0(8) . .
N1 Ni1 N2 N3 -179.0(9) . .
N16 Ni1 N2 N3 93.9(8) . .
N15 Ni1 N2 N3 122.4(19) . .
O2 Ni1 N2 C6 -170.6(5) . .
O1 Ni1 N2 C6 98.6(6) . .
N1 Ni1 N2 C6 7.6(5) . .
N16 Ni1 N2 C6 -79.5(6) . .
N15 Ni1 N2 C6 -51(2) . .
C6 N2 N3 C8 1.0(9) . .
Ni1 N2 N3 C8 -172.7(7) . .
C6 N2 N3 C9 178.2(7) . .
Ni1 N2 N3 C9 4.5(13) . .
C7 C8 N3 N2 -1.1(12) . .
C7 C8 N3 C9 -178.0(9) . .
C10 C9 N3 N2 -88.2(10) . .
C10 C9 N3 C8 88.5(12) . .
C17 C10 N4 C11 -2.6(13) . .
C9 C10 N4 C11 -179.4(8) . .
C16 C11 N4 C10 -1.0(13) . .
C12 C11 N4 C10 -179.9(9) . .
C10 C17 N5 C16 -2.3(12) . .
C18 C17 N5 C16 179.2(8) . .
C15 C16 N5 C17 179.9(9) . .
C11 C16 N5 C17 -1.1(13) . .
C20 C19 N6 N7 -0.3(9) . .
C20 C19 N6 C18 -177.7(7) . .
C17 C18 N6 N7 99.7(9) . .
C17 C18 N6 C19 -83.2(10) . .
C19 N6 N7 C21 -0.3(8) . .
C18 N6 N7 C21 177.1(7) . .
C19 N6 N7 Ni2 177.8(6) . .
C18 N6 N7 Ni2 -4.7(12) . .
C20 C21 N7 N6 0.8(9) . .
C22 C21 N7 N6 -179.3(6) . .
C20 C21 N7 Ni2 -177.9(5) . .
C22 C21 N7 Ni2 2.0(9) . .
O3 Ni2 N7 N6 -2.1(8) . .
O4 Ni2 N7 N6 85.6(8) . .
N8 Ni2 N7 N6 177.4(8) . .
N9 Ni2 N7 N6 -95.4(8) . .
N10 Ni2 N7 N6 -130.1(19) . .
O3 Ni2 N7 C21 175.9(5) . .
O4 Ni2 N7 C21 -96.4(5) . .
N8 Ni2 N7 C21 -4.6(5) . .
N9 Ni2 N7 C21 82.6(5) . .
N10 Ni2 N7 C21 48(2) . .
C25 C26 N8 C22 -1.2(14) . .
C25 C26 N8 Ni2 -173.4(8) . .
C23 C22 N8 C26 1.4(13) . .
C21 C22 N8 C26 179.4(7) . .
C23 C22 N8 Ni2 174.5(7) . .
C21 C22 N8 Ni2 -7.6(9) . .
O3 Ni2 N8 C26 -175(3) . .
O4 Ni2 N8 C26 -91.5(7) . .
N9 Ni2 N8 C26 82.7(7) . .
N10 Ni2 N8 C26 4.7(8) . .
N7 Ni2 N8 C26 179.1(8) . .
O3 Ni2 N8 C22 12(3) . .
O4 Ni2 N8 C22 96.1(6) . .
N9 Ni2 N8 C22 -89.7(6) . .
N10 Ni2 N8 C22 -167.6(6) . .
N7 Ni2 N8 C22 6.7(6) . .
C28 C27 N9 C31 0.5(14) . .
C28 C27 N9 Ni2 -173.9(8) . .
C30 C31 N9 C27 2.7(13) . .
C32 C31 N9 C27 -177.8(8) . .
C30 C31 N9 Ni2 177.9(8) . .
C32 C31 N9 Ni2 -2.6(10) . .
O3 Ni2 N9 C27 -98.1(7) . .
O4 Ni2 N9 C27 169(2) . .
N8 Ni2 N9 C27 77.3(7) . .
N10 Ni2 N9 C27 174.8(7) . .
N7 Ni2 N9 C27 -1.1(7) . .
O3 Ni2 N9 C31 87.3(6) . .
O4 Ni2 N9 C31 -6(3) . .
N8 Ni2 N9 C31 -97.4(6) . .
N10 Ni2 N9 C31 0.1(6) . .
N7 Ni2 N9 C31 -175.7(6) . .
C33 C32 N10 N11 1.7(11) . .
C31 C32 N10 N11 -177.5(8) . .
C33 C32 N10 Ni2 174.6(8) . .
C31 C32 N10 Ni2 -4.7(10) . .
O3 Ni2 N10 N11 78.4(9) . .
O4 Ni2 N10 N11 -9.1(9) . .
N8 Ni2 N10 N11 -101.6(9) . .
N9 Ni2 N10 N11 171.5(9) . .
N7 Ni2 N10 N11 -153.2(17) . .
O3 Ni2 N10 C32 -90.7(6) . .
O4 Ni2 N10 C32 -178.2(6) . .
N8 Ni2 N10 C32 89.3(6) . .
N9 Ni2 N10 C32 2.4(6) . .
N7 Ni2 N10 C32 38(2) . .
C32 N10 N11 C34 -2.3(11) . .
Ni2 N10 N11 C34 -172.0(8) . .
C32 N10 N11 C35 178.1(8) . .
Ni2 N10 N11 C35 8.4(13) . .
C33 C34 N11 N10 2.0(13) . .
C33 C34 N11 C35 -178.4(9) . .
C36 C35 N11 N10 81.9(10) . .
C36 C35 N11 C34 -97.6(12) . .
C43 C36 N12 C37 2.1(13) . .
C35 C36 N12 C37 -178.7(8) . .
C42 C37 N12 C36 -0.1(14) . .
C38 C37 N12 C36 -179.9(9) . .
C36 C43 N13 C42 0.8(14) . .
C44 C43 N13 C42 179.6(9) 2_566 .
C37 C42 N13 C43 1.2(15) . .
C41 C42 N13 C43 -179.8(10) . .
C46 C45 N14 N15 1.4(17) . .
C46 C45 N14 C44 -177.4(12) . .
C43 C44 N14 C45 94.4(15) 2_566 .
C43 C44 N14 N15 -84.2(12) 2_566 .
C46 C47 N15 N14 -0.8(13) . .
C48 C47 N15 N14 175.1(8) . .
C46 C47 N15 Ni1 -179.3(10) . .
C48 C47 N15 Ni1 -3.4(11) . .
C45 N14 N15 C47 -0.3(12) . .
C44 N14 N15 C47 178.5(9) . .
C45 N14 N15 Ni1 177.4(9) . .
C44 N14 N15 Ni1 -3.7(14) . .
O2 Ni1 N15 C47 95.4(7) . .
O1 Ni1 N15 C47 -174.0(6) . .
N1 Ni1 N15 C47 -82.1(7) . .
N16 Ni1 N15 C47 4.6(6) . .
N2 Ni1 N15 C47 -25(2) . .
O2 Ni1 N15 N14 -82.2(9) . .
O1 Ni1 N15 N14 8.3(9) . .
N1 Ni1 N15 N14 100.2(9) . .
N16 Ni1 N15 N14 -173.1(9) . .
N2 Ni1 N15 N14 157.8(17) . .
C49 C48 N16 C52 -1.8(14) . .
C47 C48 N16 C52 -179.5(8) . .
C49 C48 N16 Ni1 -177.1(8) . .
C47 C48 N16 Ni1 5.2(11) . .
C51 C52 N16 C48 2.2(14) . .
C51 C52 N16 Ni1 176.9(8) . .
O2 Ni1 N16 C48 -93.9(6) . .
O1 Ni1 N16 C48 7(2) . .
N1 Ni1 N16 C48 92.5(6) . .
N15 Ni1 N16 C48 -5.2(6) . .
N2 Ni1 N16 C48 171.2(6) . .
O2 Ni1 N16 C52 91.2(7) . .
O1 Ni1 N16 C52 -167.8(18) . .
N1 Ni1 N16 C52 -82.4(7) . .
N15 Ni1 N16 C52 179.9(7) . .
N2 Ni1 N16 C52 -3.6(7) . .
