#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:35:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180478 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/47/7214733.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_7214733
loop_
_publ_author_name
'Chen, Min'
'Bai, Zheng-Shuai'
'Liu, Qing'
'Okamura, Taka-aki'
'Lu, Yi'
'Sun, Wei-Yin'
_publ_section_title
;
 Coordination polymers with mixed 4,4′-bipyridine-2,2′,6,
 6′-tetracarboxylate and imidazole-containing ligands: synthesis,
 structure and properties
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              8642
_journal_paper_doi               10.1039/c2ce26338f
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C56 H78 N14 Ni2 O21'
_chemical_formula_sum            'C56 H78 N14 Ni2 O21'
_chemical_formula_weight         1400.74
_chemical_name_common            (Ni2(B1)(L2)2)-13(H2O)
_chemical_name_systematic
;
[Ni2(B1)(L2)2]-13(H2O)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-09-17
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.438(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4995(19)
_cell_length_b                   12.4212(14)
_cell_length_c                   40.153(6)
_cell_measurement_reflns_used    33460
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6387.2(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID II'
_diffrn_measurement_method       ω
_diffrn_radiation_source
;
MicroMax-007HF microfocus rotating anode X-ray generator
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            39912
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.676
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2944
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.359
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     966
_refine_ls_number_reflns         11102
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0513
_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)+(0.0699P)²+6.2640P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1295
_refine_ls_wR_factor_ref         0.1406
_reflns_number_gt                8660
_reflns_number_total             11102
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c2ce26338f.txt
_cod_data_source_block           2
_cod_original_cell_volume        6387.3(15)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7214733
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Ni1 Ni 0.67903(3) 0.38792(3) 0.307516(10) 0.03060(12) Uani 1 1 d .
Ni2 Ni 0.87118(3) 0.40527(4) 0.077570(10) 0.03643(13) Uani 1 1 d .
O1 O 0.7799(2) 0.2361(2) 0.57835(6) 0.0517(7) Uani 1 1 d .
O2 O 0.6778(3) 0.3548(3) 0.54228(8) 0.1011(14) Uani 1 1 d .
O3 O 0.93874(17) -0.02921(18) 0.55275(5) 0.0371(5) Uani 1 1 d .
O4 O 0.91953(19) -0.09130(19) 0.49866(6) 0.0416(6) Uani 1 1 d .
O5 O 0.73725(16) 0.23072(17) 0.30377(5) 0.0323(5) Uani 1 1 d .
O6 O 0.79589(17) 0.08310(18) 0.33615(5) 0.0370(5) Uani 1 1 d .
O7 O 0.63273(18) 0.52211(18) 0.33543(6) 0.0413(6) Uani 1 1 d .
O8 O 0.5937(2) 0.5531(2) 0.38476(7) 0.0602(7) Uani 1 1 d .
O9 O 0.3413(3) 0.5875(2) 0.25338(8) 0.0611(8) Uani 1 1 d D
H53 H 0.311(3) 0.632(3) 0.2384(9) 0.073 Uiso 1 1 d D
H54 H 0.367(4) 0.619(3) 0.2725(8) 0.073 Uiso 1 1 d D
O10 O 0.2505(3) 0.6475(4) 0.36457(9) 0.105 Uani 1 1 d D
H55 H 0.248(5) 0.679(4) 0.3833(10) 0.126 Uiso 1 1 d D
H56 H 0.276(5) 0.584(2) 0.3697(16) 0.126 Uiso 1 1 d D
O11 O 0.9923(3) 0.7607(3) 0.58228(11) 0.1017(13) Uani 1 1 d .
O12 O 0.8418(5) 0.6022(5) 0.57880(17) 0.174(3) Uani 1 1 d .
O13 O 0.4117(6) 0.6612(6) 0.32782(16) 0.090(3) Uani 0.594(11) 1 d P
O13B O 0.4677(8) 0.6723(7) 0.3087(3) 0.095(5) Uani 0.406(11) 1 d P
O14 O 1.0011(10) 0.6785(11) 0.5113(3) 0.122(4) Uani 0.499(8) 1 d P
O14B O 0.9672(8) 0.6964(8) 0.4929(3) 0.087(3) Uani 0.501(8) 1 d P
O15 O 0.9115(7) 0.4452(7) 0.5391(2) 0.109(3) Uani 0.499(8) 1 d P
O15B O 0.8611(15) 0.5091(16) 0.5012(5) 0.239(9) Uani 0.501(8) 1 d PU
O16 O 0.6172(9) 0.5369(10) 0.6241(3) 0.144(4) Uani 0.592(11) 1 d P
O16B O 0.6837(15) 0.5635(12) 0.6126(4) 0.143(6) Uani 0.408(11) 1 d P
O17 O 0.6311(10) 0.5516(7) 0.4594(3) 0.120(5) Uani 0.496(15) 1 d P
O17B O 0.503(2) 0.545(3) 0.4359(6) 0.319(17) Uani 0.504(15) 1 d PU
O18 O 0.5195(11) 0.6489(11) 0.4991(5) 0.177(6) Uani 0.592(11) 1 d P
O18B O 0.4996(15) 0.6263(15) 0.5218(6) 0.138(6) Uani 0.408(11) 1 d P
O19 O 0.729(2) 0.531(2) 0.5928(7) 0.127(9) Uani 0.210(14) 1 d PU
O19B O 0.6438(9) 0.5626(9) 0.5609(3) 0.112(5) Uani 0.408(11) 1 d PU
O20 O 0.515(4) 0.613(3) 0.5501(12) 0.12(2) Uani 0.12(2) 1 d P
O20B O 0.524(2) 0.598(2) 0.5806(11) 0.18(2) Uani 0.29(3) 1 d P
O21 O 0.490(2) 0.687(3) 0.4312(8) 0.18(2) Uani 0.227(17) 1 d P
O21B O 0.6812(15) 0.5567(15) 0.5043(6) 0.248(11) Uani 0.504(15) 1 d P
O22 O 0.8227(8) 0.5376(6) 0.4748(2) 0.097(3) Uani 0.499(8) 1 d P
O22B O 0.9368(7) 0.4079(7) 0.4446(2) 0.111(4) Uani 0.501(8) 1 d P
O23 O 0.4125(12) 0.7530(13) 0.3649(4) 0.175(8) Uani 0.406(11) 1 d P
N11 N 0.9440(2) 0.5837(2) 0.32250(7) 0.0399(7) Uani 1 1 d .
N12 N 0.8260(2) 0.4579(2) 0.31954(7) 0.0370(6) Uani 1 1 d .
N31 N 0.6436(2) 0.8334(2) 0.21220(8) 0.0421(7) Uani 1 1 d .
N32 N 0.4748(2) 0.8337(2) 0.20446(6) 0.0323(6) Uani 1 1 d .
N51 N 0.9665(2) 0.5550(2) 0.17419(7) 0.0400(7) Uani 1 1 d .
N52 N 0.9101(2) 0.4485(2) 0.12872(6) 0.0380(6) Uani 1 1 d .
N71 N 0.8235(2) 0.1384(2) 0.52767(6) 0.0370(6) Uani 1 1 d .
N81 N 0.70724(19) 0.3326(2) 0.35609(6) 0.0312(6) Uani 1 1 d .
N111 N 0.5382(2) 0.4779(2) 0.20318(6) 0.0361(6) Uani 1 1 d .
N112 N 0.6407(2) 0.4349(2) 0.25587(7) 0.0351(6) Uani 1 1 d .
N131 N 0.1666(2) 0.2659(2) 0.08674(8) 0.0461(7) Uani 1 1 d .
N132 N 0.0088(2) 0.3166(2) 0.08586(6) 0.0378(6) Uani 1 1 d .
N151 N 0.5816(2) 0.5718(3) 0.06042(7) 0.0471(7) Uani 1 1 d .
N152 N 0.7382(2) 0.5049(3) 0.06829(7) 0.0427(7) Uani 1 1 d .
C1 C 0.9552(2) 0.7158(2) 0.27806(8) 0.0337(7) Uani 1 1 d .
C2 C 0.8741(3) 0.7890(3) 0.26454(9) 0.0382(8) Uani 1 1 d .
C3 C 0.8352(3) 0.8058(3) 0.22821(9) 0.0390(8) Uani 1 1 d .
C4 C 0.8813(3) 0.7555(3) 0.20573(9) 0.0381(8) Uani 1 1 d .
C5 C 0.9676(3) 0.6895(3) 0.22000(9) 0.0377(8) Uani 1 1 d .
C6 C 1.0028(2) 0.6655(3) 0.25565(8) 0.0345(7) Uani 1 1 d .
C7 C 0.7384(3) 0.2778(4) 0.54875(9) 0.0576(11) Uani 1 1 d .
C8 C 0.9090(2) -0.0227(3) 0.51934(8) 0.0341(7) Uani 1 1 d .
C9 C 0.7620(2) 0.1755(3) 0.33215(8) 0.0310(7) Uani 1 1 d .
C10 C 0.6332(3) 0.4986(3) 0.36600(9) 0.0424(8) Uani 1 1 d .
C11 C 0.9907(3) 0.6865(3) 0.31623(9) 0.0469(9) Uani 1 1 d .
H1 H 1.0678 0.6802 0.3247 0.056 Uiso 1 1 calc R
H2 H 0.9708 0.7446 0.3298 0.056 Uiso 1 1 calc R
C12 C 0.8450(3) 0.5509(3) 0.30733(8) 0.0439(9) Uani 1 1 d .
H3 H 0.7944 0.5907 0.2898 0.053 Uiso 1 1 calc R
C13 C 0.9180(3) 0.4301(3) 0.34444(9) 0.0412(8) Uani 1 1 d .
H4 H 0.9290 0.3665 0.3583 0.049 Uiso 1 1 calc R
C14 C 0.9912(3) 0.5070(3) 0.34641(9) 0.0443(8) Uani 1 1 d .
H5 H 1.0614 0.5071 0.3615 0.053 Uiso 1 1 calc R
C21 C 0.8271(3) 0.8479(3) 0.28907(12) 0.0611(12) Uani 1 1 d .
H6 H 0.8009 0.7954 0.3025 0.073 Uiso 1 1 calc R
H7 H 0.7693 0.8934 0.2753 0.073 Uiso 1 1 calc R
H8 H 0.8806 0.8929 0.3053 0.073 Uiso 1 1 calc R
C31 C 0.7438(3) 0.8816(3) 0.21297(13) 0.0567(11) Uani 1 1 d .
H9 H 0.7552 0.9483 0.2272 0.068 Uiso 1 1 calc R
H10 H 0.7406 0.9016 0.1888 0.068 Uiso 1 1 calc R
C32 C 0.5524(3) 0.8831(3) 0.19756(8) 0.0358(7) Uani 1 1 d .
H11 H 0.5444 0.9466 0.1838 0.043 Uiso 1 1 calc R
C33 C 0.5190(3) 0.7485(3) 0.22530(9) 0.0418(8) Uani 1 1 d .
H12 H 0.4827 0.6985 0.2351 0.050 Uiso 1 1 calc R
C34 C 0.6226(3) 0.7464(3) 0.22990(11) 0.0525(10) Uani 1 1 d .
H13 H 0.6714 0.6946 0.2429 0.063 Uiso 1 1 calc R
C41 C 0.8375(3) 0.7719(4) 0.16624(10) 0.0627(11) Uani 1 1 d .
H14 H 0.7612 0.7664 0.1588 0.075 Uiso 1 1 calc R
H15 H 0.8656 0.7167 0.1543 0.075 Uiso 1 1 calc R
H16 H 0.8575 0.8434 0.1602 0.075 Uiso 1 1 calc R
C51 C 1.0250(3) 0.6436(3) 0.19614(10) 0.0512(10) Uani 1 1 d .
H17 H 1.0363 0.7015 0.1808 0.061 Uiso 1 1 calc R
H18 H 1.0943 0.6168 0.2107 0.061 Uiso 1 1 calc R
C52 C 0.9724(3) 0.5287(3) 0.14276(8) 0.0410(8) Uani 1 1 d .
H19 H 1.0165 0.5638 0.1318 0.049 Uiso 1 1 calc R
C53 C 0.8620(3) 0.4210(3) 0.15304(9) 0.0435(8) Uani 1 1 d .
H20 H 0.8121 0.3651 0.1504 0.052 Uiso 1 1 calc R
C54 C 0.8970(3) 0.4860(3) 0.18117(9) 0.0465(9) Uani 1 1 d .
H21 H 0.8772 0.4842 0.2019 0.056 Uiso 1 1 calc R
C61 C 1.0887(3) 0.5848(3) 0.27029(12) 0.0577(10) Uani 1 1 d .
H22 H 1.1565 0.6194 0.2738 0.069 Uiso 1 1 calc R
H23 H 1.0803 0.5247 0.2538 0.069 Uiso 1 1 calc R
H24 H 1.0853 0.5578 0.2928 0.069 Uiso 1 1 calc R
C72 C 0.7660(3) 0.2265(3) 0.51837(8) 0.0462(9) Uani 1 1 d .
C73 C 0.7368(3) 0.2644(3) 0.48439(9) 0.0473(9) Uani 1 1 d .
H25 H 0.6956 0.3277 0.4781 0.057 Uiso 1 1 calc R
C74 C 0.7685(3) 0.2088(3) 0.45931(8) 0.0392(8) Uani 1 1 d .
C75 C 0.8256(3) 0.1142(3) 0.46973(8) 0.0362(7) Uani 1 1 d .
H26 H 0.8466 0.0731 0.4532 0.043 Uiso 1 1 calc R
C76 C 0.8516(2) 0.0804(3) 0.50426(8) 0.0345(7) Uani 1 1 d .
C82 C 0.6835(3) 0.3913(3) 0.38028(8) 0.0366(7) Uani 1 1 d .
C83 C 0.7015(3) 0.3528(3) 0.41381(8) 0.0432(8) Uani 1 1 d .
H27 H 0.6851 0.3960 0.4309 0.052 Uiso 1 1 calc R
C84 C 0.7438(3) 0.2505(3) 0.42274(8) 0.0380(8) Uani 1 1 d .
C85 C 0.7636(2) 0.1887(3) 0.39637(8) 0.0349(7) Uani 1 1 d .
H28 H 0.7895 0.1173 0.4011 0.042 Uiso 1 1 calc R
C86 C 0.7450(2) 0.2332(2) 0.36337(8) 0.0320(7) Uani 1 1 d .
C101 C 0.4255(2) 0.4837(3) 0.13974(8) 0.0376(8) Uani 1 1 d .
C102 C 0.3647(3) 0.3919(3) 0.12823(9) 0.0410(8) Uani 1 1 d .
C103 C 0.3357(3) 0.3618(3) 0.09286(9) 0.0422(8) Uani 1 1 d .
C104 C 0.3745(3) 0.4203(3) 0.06947(9) 0.0420(8) Uani 1 1 d .
C105 C 0.4352(2) 0.5116(3) 0.08154(8) 0.0407(8) Uani 1 1 d .
C106 C 0.4620(3) 0.5445(3) 0.11668(8) 0.0393(8) Uani 1 1 d .
C111 C 0.4444(3) 0.5230(3) 0.17673(8) 0.0434(8) Uani 1 1 d .
H29 H 0.4508 0.6024 0.1769 0.052 Uiso 1 1 calc R
H30 H 0.3825 0.5052 0.1838 0.052 Uiso 1 1 calc R
C112 C 0.5485(3) 0.4723(3) 0.23733(8) 0.0359(7) Uani 1 1 d .
H31 H 0.4956 0.4928 0.2471 0.043 Uiso 1 1 calc R
C113 C 0.6926(3) 0.4156(3) 0.23183(9) 0.0460(9) Uani 1 1 d .
H32 H 0.7615 0.3881 0.2372 0.055 Uiso 1 1 calc R
C114 C 0.6292(3) 0.4422(3) 0.19922(9) 0.0491(9) Uani 1 1 d .
H33 H 0.6452 0.4370 0.1779 0.059 Uiso 1 1 calc R
C121 C 0.3288(3) 0.3254(4) 0.15392(10) 0.0588(11) Uani 1 1 d .
H34 H 0.2615 0.3527 0.1548 0.071 Uiso 1 1 calc R
H35 H 0.3806 0.3304 0.1773 0.071 Uiso 1 1 calc R
H36 H 0.3211 0.2500 0.1463 0.071 Uiso 1 1 calc R
C131 C 0.2675(3) 0.2642(3) 0.08005(12) 0.0566(10) Uani 1 1 d .
H37 H 0.2541 0.2570 0.0545 0.068 Uiso 1 1 calc R
H38 H 0.3065 0.1995 0.0914 0.068 Uiso 1 1 calc R
C132 C 0.0962(3) 0.3454(3) 0.08000(8) 0.0381(7) Uani 1 1 d .
H39 H 0.1077 0.4147 0.0719 0.046 Uiso 1 1 calc R
C133 C 0.0247(3) 0.2134(3) 0.09718(11) 0.0588(11) Uani 1 1 d .
H40 H -0.0246 0.1704 0.1035 0.071 Uiso 1 1 calc R
C134 C 0.1214(4) 0.1806(4) 0.09811(14) 0.0733(13) Uani 1 1 d .
H41 H 0.1518 0.1119 0.1052 0.088 Uiso 1 1 calc R
C141 C 0.3535(3) 0.3808(4) 0.03220(10) 0.0606(11) Uani 1 1 d .
H42 H 0.2794 0.3906 0.0190 0.073 Uiso 1 1 calc R
H43 H 0.3715 0.3043 0.0325 0.073 Uiso 1 1 calc R
H44 H 0.3961 0.4220 0.0209 0.073 Uiso 1 1 calc R
C151 C 0.4699(3) 0.5823(4) 0.05649(10) 0.0537(10) Uani 1 1 d .
H45 H 0.4286 0.5635 0.0321 0.064 Uiso 1 1 calc R
H46 H 0.4549 0.6584 0.0605 0.064 Uiso 1 1 calc R
C152 C 0.6409(3) 0.4834(3) 0.06639(9) 0.0456(9) Uani 1 1 d .
H47 H 0.6160 0.4134 0.0690 0.055 Uiso 1 1 calc R
C153 C 0.7402(3) 0.6141(3) 0.06346(11) 0.0566(10) Uani 1 1 d .
H48 H 0.8002 0.6542 0.0636 0.068 Uiso 1 1 calc R
C154 C 0.6446(3) 0.6562(4) 0.05848(11) 0.0599(11) Uani 1 1 d .
H49 H 0.6249 0.7297 0.0544 0.072 Uiso 1 1 calc R
C161 C 0.5286(3) 0.6426(3) 0.12952(10) 0.0540(10) Uani 1 1 d .
H50 H 0.5828 0.6465 0.1181 0.065 Uiso 1 1 calc R
H51 H 0.5615 0.6378 0.1550 0.065 Uiso 1 1 calc R
H52 H 0.4849 0.7073 0.1238 0.065 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'
Ni Ni 0.3393 1.1124 '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'
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
N81 Ni1 N112 175.16(10) . .
N81 Ni1 N12 92.52(10) . .
N112 Ni1 N12 91.88(10) . .
N81 Ni1 N32 88.99(10) . 2_645
N112 Ni1 N32 86.83(10) . 2_645
N12 Ni1 N32 174.06(11) . 2_645
N81 Ni1 O5 77.98(9) . .
N112 Ni1 O5 99.77(9) . .
N12 Ni1 O5 93.05(10) . .
N32 Ni1 O5 92.89(9) 2_645 .
N81 Ni1 O7 76.11(9) . .
N112 Ni1 O7 106.05(10) . .
N12 Ni1 O7 88.23(10) . .
N32 Ni1 O7 86.55(9) 2_645 .
O5 Ni1 O7 154.09(8) . .
N71 Ni2 N52 176.14(11) 4_565 .
N71 Ni2 N132 90.29(11) 4_565 1_655
N52 Ni2 N132 92.63(10) . 1_655
N71 Ni2 N152 89.77(11) 4_565 .
N52 Ni2 N152 87.52(11) . .
N132 Ni2 N152 175.67(11) 1_655 .
N71 Ni2 O1 77.66(10) 4_565 4_565
N52 Ni2 O1 99.65(10) . 4_565
N132 Ni2 O1 92.99(11) 1_655 4_565
N152 Ni2 O1 91.25(12) . 4_565
N71 Ni2 O3 77.30(10) 4_565 4_565
N52 Ni2 O3 105.32(10) . 4_565
N132 Ni2 O3 88.04(9) 1_655 4_565
N152 Ni2 O3 87.75(10) . 4_565
O1 Ni2 O3 154.94(8) 4_565 4_565
C7 O1 Ni2 114.2(2) . 4_566
C8 O3 Ni2 113.4(2) . 4_566
C9 O5 Ni1 115.27(19) . .
C10 O7 Ni1 113.9(2) . .
H53 O9 H54 108(5) . .
H55 O10 H56 109(5) . .
O22 O15B O15 170.3(16) . .
O16 O16B O19 140(2) . .
O17B O17 O21B 125.7(10) . .
O17 O17B O21 93(2) . .
O18 O18B O20 155(4) . .
O16B O19 O19B 93.6(17) . .
O19 O19B O20 138(2) . .
O18B O20 O20B 175(6) . .
O18B O20 O19B 99(4) . .
O20B O20 O19B 85(3) . .
C12 N11 C14 106.5(3) . .
C12 N11 C11 126.8(3) . .
C14 N11 C11 126.5(3) . .
C12 N12 C13 104.8(3) . .
C12 N12 Ni1 124.5(2) . .
C13 N12 Ni1 130.0(2) . .
C32 N31 C34 106.2(3) . .
C32 N31 C31 122.3(3) . .
C34 N31 C31 130.5(3) . .
C32 N32 C33 105.6(3) . .
C32 N32 Ni1 126.8(2) . 2_655
C33 N32 Ni1 127.0(2) . 2_655
C52 N51 C54 107.0(3) . .
C52 N51 C51 124.7(3) . .
C54 N51 C51 128.3(3) . .
C52 N52 C53 105.4(3) . .
C52 N52 Ni2 124.3(2) . .
C53 N52 Ni2 128.7(2) . .
C72 N71 C76 121.4(3) . .
C72 N71 Ni2 119.1(2) . 4_566
C76 N71 Ni2 119.5(2) . 4_566
C86 N81 C82 120.7(3) . .
C86 N81 Ni1 118.5(2) . .
C82 N81 Ni1 120.7(2) . .
C112 N111 C114 107.4(3) . .
C112 N111 C111 122.9(3) . .
C114 N111 C111 129.6(3) . .
C112 N112 C113 105.3(3) . .
C112 N112 Ni1 124.1(2) . .
C113 N112 Ni1 129.4(2) . .
C132 N131 C134 106.0(3) . .
C132 N131 C131 127.9(3) . .
C134 N131 C131 125.8(3) . .
C132 N132 C133 105.0(3) . .
C132 N132 Ni2 128.7(2) . 1_455
C133 N132 Ni2 126.2(3) . 1_455
C152 N151 C154 107.0(3) . .
C152 N151 C151 128.9(3) . .
C154 N151 C151 124.1(3) . .
C152 N152 C153 104.8(3) . .
C152 N152 Ni2 131.8(3) . .
C153 N152 Ni2 123.4(2) . .
C2 C1 C6 120.1(3) . .
C2 C1 C11 121.0(3) . .
C6 C1 C11 118.9(3) . .
C1 C2 C3 119.5(3) . .
C1 C2 C21 120.0(3) . .
C3 C2 C21 120.5(3) . .
C4 C3 C2 120.6(3) . .
C4 C3 C31 119.3(3) . .
C2 C3 C31 120.1(3) . .
C5 C4 C3 119.0(3) . .
C5 C4 C41 120.4(3) . .
C3 C4 C41 120.6(3) . .
C6 C5 C4 121.2(3) . .
C6 C5 C51 119.5(3) . .
C4 C5 C51 119.3(3) . .
C5 C6 C1 119.2(3) . .
C5 C6 C61 120.9(3) . .
C1 C6 C61 119.8(3) . .
O2 C7 O1 126.0(4) . .
O2 C7 C72 118.0(3) . .
O1 C7 C72 115.9(3) . .
O4 C8 O3 126.9(3) . .
O4 C8 C76 117.9(3) . .
O3 C8 C76 115.1(3) . .
O6 C9 O5 126.8(3) . .
O6 C9 C86 118.7(3) . .
O5 C9 C86 114.5(3) . .
O8 C10 O7 126.1(3) . .
O8 C10 C82 118.1(3) . .
O7 C10 C82 115.7(3) . .
N11 C11 C1 111.6(3) . .
N11 C11 H1 109.3 . .
C1 C11 H1 109.3 . .
N11 C11 H2 109.3 . .
C1 C11 H2 109.3 . .
H1 C11 H2 108.0 . .
N12 C12 N11 112.4(3) . .
N12 C12 H3 123.8 . .
N11 C12 H3 123.8 . .
C14 C13 N12 109.9(3) . .
C14 C13 H4 125.1 . .
N12 C13 H4 125.1 . .
C13 C14 N11 106.4(3) . .
C13 C14 H5 126.8 . .
N11 C14 H5 126.8 . .
C2 C21 H6 109.5 . .
C2 C21 H7 109.5 . .
H6 C21 H7 109.5 . .
C2 C21 H8 109.5 . .
H6 C21 H8 109.5 . .
H7 C21 H8 109.5 . .
N31 C31 C3 112.4(3) . .
N31 C31 H9 109.1 . .
C3 C31 H9 109.1 . .
N31 C31 H10 109.1 . .
C3 C31 H10 109.1 . .
H9 C31 H10 107.9 . .
N32 C32 N31 112.1(3) . .
N32 C32 H11 124.0 . .
N31 C32 H11 124.0 . .
C34 C33 N32 109.4(3) . .
C34 C33 H12 125.3 . .
N32 C33 H12 125.3 . .
C33 C34 N31 106.8(3) . .
C33 C34 H13 126.6 . .
N31 C34 H13 126.6 . .
C4 C41 H14 109.5 . .
C4 C41 H15 109.5 . .
H14 C41 H15 109.5 . .
C4 C41 H16 109.5 . .
H14 C41 H16 109.5 . .
H15 C41 H16 109.5 . .
N51 C51 C5 111.9(3) . .
N51 C51 H17 109.2 . .
C5 C51 H17 109.2 . .
N51 C51 H18 109.2 . .
C5 C51 H18 109.2 . .
H17 C51 H18 107.9 . .
N52 C52 N51 111.8(3) . .
N52 C52 H19 124.1 . .
N51 C52 H19 124.1 . .
C54 C53 N52 109.1(3) . .
C54 C53 H20 125.4 . .
N52 C53 H20 125.4 . .
C53 C54 N51 106.6(3) . .
C53 C54 H21 126.7 . .
N51 C54 H21 126.7 . .
C6 C61 H22 109.5 . .
C6 C61 H23 109.5 . .
H22 C61 H23 109.5 . .
C6 C61 H24 109.5 . .
H22 C61 H24 109.5 . .
H23 C61 H24 109.5 . .
N71 C72 C73 121.3(3) . .
N71 C72 C7 112.9(3) . .
C73 C72 C7 125.8(3) . .
C72 C73 C74 119.2(3) . .
C72 C73 H25 120.4 . .
C74 C73 H25 120.4 . .
C75 C74 C73 117.9(3) . .
C75 C74 C84 121.2(3) . .
C73 C74 C84 121.0(3) . .
C76 C75 C74 119.8(3) . .
C76 C75 H26 120.1 . .
C74 C75 H26 120.1 . .
N71 C76 C75 120.3(3) . .
N71 C76 C8 113.4(3) . .
C75 C76 C8 126.2(3) . .
N81 C82 C83 120.9(3) . .
N81 C82 C10 112.7(3) . .
C83 C82 C10 126.3(3) . .
C82 C83 C84 120.0(3) . .
C82 C83 H27 120.0 . .
C84 C83 H27 120.0 . .
C83 C84 C85 117.8(3) . .
C83 C84 C74 121.1(3) . .
C85 C84 C74 121.2(3) . .
C86 C85 C84 119.0(3) . .
C86 C85 H28 120.5 . .
C84 C85 H28 120.5 . .
N81 C86 C85 121.5(3) . .
N81 C86 C9 113.7(3) . .
C85 C86 C9 124.8(3) . .
C102 C101 C106 121.0(3) . .
C102 C101 C111 119.3(3) . .
C106 C101 C111 119.5(3) . .
C101 C102 C103 120.0(3) . .
C101 C102 C121 120.1(3) . .
C103 C102 C121 119.9(3) . .
C102 C103 C104 119.6(3) . .
C102 C103 C131 120.3(3) . .
C104 C103 C131 120.1(3) . .
C105 C104 C103 119.2(3) . .
C105 C104 C141 120.9(3) . .
C103 C104 C141 119.9(4) . .
C104 C105 C106 121.6(3) . .
C104 C105 C151 120.8(3) . .
C106 C105 C151 117.5(3) . .
C101 C106 C105 118.4(3) . .
C101 C106 C161 120.5(3) . .
C105 C106 C161 121.1(3) . .
N111 C111 C101 115.1(3) . .
N111 C111 H29 108.5 . .
C101 C111 H29 108.5 . .
N111 C111 H30 108.5 . .
C101 C111 H30 108.5 . .
H29 C111 H30 107.5 . .
N112 C112 N111 111.8(3) . .
N112 C112 H31 124.1 . .
N111 C112 H31 124.1 . .
C114 C113 N112 109.1(3) . .
C114 C113 H32 125.5 . .
N112 C113 H32 125.5 . .
C113 C114 N111 106.5(3) . .
C113 C114 H33 126.8 . .
N111 C114 H33 126.8 . .
C102 C121 H34 109.5 . .
C102 C121 H35 109.5 . .
H34 C121 H35 109.5 . .
C102 C121 H36 109.5 . .
H34 C121 H36 109.5 . .
H35 C121 H36 109.5 . .
N131 C131 C103 115.3(3) . .
N131 C131 H37 108.5 . .
C103 C131 H37 108.5 . .
N131 C131 H38 108.5 . .
C103 C131 H38 108.5 . .
H37 C131 H38 107.5 . .
N132 C132 N131 112.4(3) . .
N132 C132 H39 123.8 . .
N131 C132 H39 123.8 . .
N132 C133 C134 110.1(4) . .
N132 C133 H40 125.0 . .
C134 C133 H40 125.0 . .
C133 C134 N131 106.5(4) . .
C133 C134 H41 126.8 . .
N131 C134 H41 126.8 . .
C104 C141 H42 109.5 . .
C104 C141 H43 109.5 . .
H42 C141 H43 109.5 . .
C104 C141 H44 109.5 . .
H42 C141 H44 109.5 . .
H43 C141 H44 109.5 . .
N151 C151 C105 113.5(3) . .
N151 C151 H45 108.9 . .
C105 C151 H45 108.9 . .
N151 C151 H46 108.9 . .
C105 C151 H46 108.9 . .
H45 C151 H46 107.7 . .
N152 C152 N151 111.9(3) . .
N152 C152 H47 124.0 . .
N151 C152 H47 124.0 . .
C154 C153 N152 110.2(4) . .
C154 C153 H48 124.9 . .
N152 C153 H48 124.9 . .
C153 C154 N151 106.1(4) . .
C153 C154 H49 127.0 . .
N151 C154 H49 127.0 . .
C106 C161 H50 109.5 . .
C106 C161 H51 109.5 . .
H50 C161 H51 109.5 . .
C106 C161 H52 109.5 . .
H50 C161 H52 109.5 . .
H51 C161 H52 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N81 1.988(2) .
Ni1 N112 2.057(3) .
Ni1 N12 2.078(3) .
Ni1 N32 2.090(3) 2_645
Ni1 O5 2.128(2) .
Ni1 O7 2.206(2) .
Ni2 N71 1.977(3) 4_565
Ni2 N52 2.025(3) .
Ni2 N132 2.093(3) 1_655
Ni2 N152 2.114(3) .
Ni2 O1 2.151(3) 4_565
Ni2 O3 2.184(2) 4_565
O1 C7 1.255(4) .
O1 Ni2 2.151(3) 4_566
O2 C7 1.232(5) .
O3 C8 1.275(4) .
O3 Ni2 2.184(2) 4_566
O4 C8 1.230(4) .
O5 C9 1.281(4) .
O6 C9 1.227(4) .
O7 C10 1.260(4) .
O8 C10 1.251(4) .
O9 H53 0.826(19) .
O9 H54 0.834(19) .
O10 H55 0.86(2) .
O10 H56 0.86(2) .
O13 O13B 1.243(13) .
O14 O14B 0.769(10) .
O15 O15B 1.66(2) .
O15B O22 1.084(17) .
O16 O16B 1.177(15) .
O16B O19 1.22(2) .
O17 O17B 1.69(3) .
O17 O21B 1.71(2) .
O17B O21 1.78(4) .
O18 O18B 1.065(18) .
O18B O20 1.10(5) .
O19 O19B 1.48(3) .
O19B O20 1.77(5) .
O20 O20B 1.21(5) .
N11 C12 1.345(4) .
N11 C14 1.360(4) .
N11 C11 1.481(4) .
N12 C12 1.312(4) .
N12 C13 1.370(4) .
N31 C32 1.337(4) .
N31 C34 1.371(4) .
N31 C31 1.470(4) .
N32 C32 1.316(4) .
N32 C33 1.363(4) .
N32 Ni1 2.090(3) 2_655
N51 C52 1.330(4) .
N51 C54 1.363(4) .
N51 C51 1.473(4) .
N52 C52 1.311(4) .
N52 C53 1.376(4) .
N71 C72 1.325(4) .
N71 C76 1.332(4) .
N71 Ni2 1.977(3) 4_566
N81 C86 1.332(4) .
N81 C82 1.332(4) .
N111 C112 1.336(4) .
N111 C114 1.361(4) .
N111 C111 1.482(4) .
N112 C112 1.317(4) .
N112 C113 1.381(4) .
N131 C132 1.337(4) .
N131 C134 1.371(5) .
N131 C131 1.469(5) .
N132 C132 1.324(4) .
N132 C133 1.354(5) .
N132 Ni2 2.093(3) 1_455
N151 C152 1.335(5) .
N151 C154 1.367(5) .
N151 C151 1.472(4) .
N152 C152 1.318(4) .
N152 C153 1.371(5) .
C1 C2 1.394(5) .
C1 C6 1.406(4) .
C1 C11 1.499(5) .
C2 C3 1.401(5) .
C2 C21 1.519(5) .
C3 C4 1.395(5) .
C3 C31 1.518(5) .
C4 C5 1.392(5) .
C4 C41 1.520(5) .
C5 C6 1.391(5) .
C5 C51 1.521(4) .
C6 C61 1.505(5) .
C7 C72 1.523(5) .
C8 C76 1.519(5) .
C9 C86 1.524(4) .
C10 C82 1.523(5) .
C11 H1 0.9900 .
C11 H2 0.9900 .
C12 H3 0.9500 .
C13 C14 1.358(5) .
C13 H4 0.9500 .
C14 H5 0.9500 .
C21 H6 0.9800 .
C21 H7 0.9800 .
C21 H8 0.9800 .
C31 H9 0.9900 .
C31 H10 0.9900 .
C32 H11 0.9500 .
C33 C34 1.352(5) .
C33 H12 0.9500 .
C34 H13 0.9500 .
C41 H14 0.9800 .
C41 H15 0.9800 .
C41 H16 0.9800 .
C51 H17 0.9900 .
C51 H18 0.9900 .
C52 H19 0.9500 .
C53 C54 1.346(5) .
C53 H20 0.9500 .
C54 H21 0.9500 .
C61 H22 0.9800 .
C61 H23 0.9800 .
C61 H24 0.9800 .
C72 C73 1.378(5) .
C73 C74 1.396(5) .
C73 H25 0.9500 .
C74 C75 1.395(5) .
C74 C84 1.492(4) .
C75 C76 1.383(4) .
C75 H26 0.9500 .
C82 C83 1.376(5) .
C83 C84 1.393(5) .
C83 H27 0.9500 .
C84 C85 1.401(5) .
C85 C86 1.383(4) .
C85 H28 0.9500 .
C101 C102 1.395(5) .
C101 C106 1.400(5) .
C101 C111 1.507(4) .
C102 C103 1.400(5) .
C102 C121 1.516(5) .
C103 C104 1.412(5) .
C103 C131 1.511(5) .
C104 C105 1.393(5) .
C104 C141 1.514(5) .
C105 C106 1.402(5) .
C105 C151 1.518(5) .
C106 C161 1.505(5) .
C111 H29 0.9900 .
C111 H30 0.9900 .
C112 H31 0.9500 .
C113 C114 1.359(5) .
C113 H32 0.9500 .
C114 H33 0.9500 .
C121 H34 0.9800 .
C121 H35 0.9800 .
C121 H36 0.9800 .
C131 H37 0.9900 .
C131 H38 0.9900 .
C132 H39 0.9500 .
C133 C134 1.357(6) .
C133 H40 0.9500 .
C134 H41 0.9500 .
C141 H42 0.9800 .
C141 H43 0.9800 .
C141 H44 0.9800 .
C151 H45 0.9900 .
C151 H46 0.9900 .
C152 H47 0.9500 .
C153 C154 1.348(6) .
C153 H48 0.9500 .
C154 H49 0.9500 .
C161 H50 0.9800 .
C161 H51 0.9800 .
C161 H52 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
N81 Ni1 O5 C9 0.2(2) .
N112 Ni1 O5 C9 -175.5(2) .
N12 Ni1 O5 C9 92.1(2) .
N32 Ni1 O5 C9 -88.2(2) 2_645
O7 Ni1 O5 C9 -0.1(3) .
N81 Ni1 O7 C10 -7.9(2) .
N112 Ni1 O7 C10 167.7(2) .
N12 Ni1 O7 C10 -100.9(2) .
N32 Ni1 O7 C10 82.0(2) 2_645
O5 Ni1 O7 C10 -7.5(3) .
O21B O17 O17B O21 92.4(16) .
O16 O16B O19 O19B 79(3) .
O16B O19 O19B O20 -7(4) .
O18 O18B O20 O20B 174(47) .
O18 O18B O20 O19B -38(8) .
O19 O19B O20 O18B 175(2) .
O19 O19B O20 O20B -8(4) .
N81 Ni1 N12 C12 -141.8(3) .
N112 Ni1 N12 C12 40.2(3) .
N32 Ni1 N12 C12 -37.1(11) 2_645
O5 Ni1 N12 C12 140.1(3) .
O7 Ni1 N12 C12 -65.8(3) .
N81 Ni1 N12 C13 27.3(3) .
N112 Ni1 N12 C13 -150.7(3) .
N32 Ni1 N12 C13 132.0(9) 2_645
O5 Ni1 N12 C13 -50.8(3) .
O7 Ni1 N12 C13 103.3(3) .
N71 Ni2 N52 C52 -138.8(17) 4_565
N132 Ni2 N52 C52 82.3(3) 1_655
N152 Ni2 N52 C52 -93.4(3) .
O1 Ni2 N52 C52 175.7(3) 4_565
O3 Ni2 N52 C52 -6.4(3) 4_565
N71 Ni2 N52 C53 24.5(19) 4_565
N132 Ni2 N52 C53 -114.4(3) 1_655
N152 Ni2 N52 C53 69.9(3) .
O1 Ni2 N52 C53 -20.9(3) 4_565
O3 Ni2 N52 C53 156.9(3) 4_565
N112 Ni1 N81 C86 62.4(14) .
N12 Ni1 N81 C86 -92.9(2) .
N32 Ni1 N81 C86 92.8(2) 2_645
O5 Ni1 N81 C86 -0.3(2) .
O7 Ni1 N81 C86 179.5(2) .
N112 Ni1 N81 C82 -113.9(13) .
N12 Ni1 N81 C82 90.8(2) .
N32 Ni1 N81 C82 -83.5(2) 2_645
O5 Ni1 N81 C82 -176.7(3) .
O7 Ni1 N81 C82 3.2(2) .
N81 Ni1 N112 C112 65.3(14) .
N12 Ni1 N112 C112 -139.4(3) .
N32 Ni1 N112 C112 34.8(3) 2_645
O5 Ni1 N112 C112 127.2(3) .
O7 Ni1 N112 C112 -50.7(3) .
N81 Ni1 N112 C113 -100.4(13) .
N12 Ni1 N112 C113 55.0(3) .
N32 Ni1 N112 C113 -130.8(3) 2_645
O5 Ni1 N112 C113 -38.4(3) .
O7 Ni1 N112 C113 143.7(3) .
N71 Ni2 N152 C152 81.5(3) 4_565
N52 Ni2 N152 C152 -95.8(3) .
N132 Ni2 N152 C152 172.2(12) 1_655
O1 Ni2 N152 C152 3.8(3) 4_565
O3 Ni2 N152 C152 158.8(3) 4_565
N71 Ni2 N152 C153 -100.0(3) 4_565
N52 Ni2 N152 C153 82.7(3) .
N132 Ni2 N152 C153 -9.3(15) 1_655
O1 Ni2 N152 C153 -177.7(3) 4_565
O3 Ni2 N152 C153 -22.7(3) 4_565
C6 C1 C2 C3 4.9(5) .
C11 C1 C2 C3 -173.1(3) .
C6 C1 C2 C21 -176.5(3) .
C11 C1 C2 C21 5.5(5) .
C1 C2 C3 C4 -4.3(5) .
C21 C2 C3 C4 177.1(3) .
C1 C2 C3 C31 177.3(3) .
C21 C2 C3 C31 -1.3(5) .
C2 C3 C4 C5 -0.9(5) .
C31 C3 C4 C5 177.5(3) .
C2 C3 C4 C41 178.7(3) .
C31 C3 C4 C41 -2.9(5) .
C3 C4 C5 C6 5.6(5) .
C41 C4 C5 C6 -174.0(3) .
C3 C4 C5 C51 -173.8(3) .
C41 C4 C5 C51 6.6(5) .
C4 C5 C6 C1 -5.0(5) .
C51 C5 C6 C1 174.4(3) .
C4 C5 C6 C61 173.4(3) .
C51 C5 C6 C61 -7.2(5) .
C2 C1 C6 C5 -0.3(5) .
C11 C1 C6 C5 177.7(3) .
C2 C1 C6 C61 -178.7(3) .
C11 C1 C6 C61 -0.7(5) .
Ni2 O1 C7 O2 175.3(4) 4_566
Ni2 O1 C7 C72 -4.2(5) 4_566
Ni2 O3 C8 O4 -166.3(3) 4_566
Ni2 O3 C8 C76 11.6(3) 4_566
Ni1 O5 C9 O6 179.1(2) .
Ni1 O5 C9 C86 0.0(3) .
Ni1 O7 C10 O8 -166.9(3) .
Ni1 O7 C10 C82 10.6(4) .
C12 N11 C11 C1 -41.2(5) .
C14 N11 C11 C1 143.4(3) .
C2 C1 C11 N11 98.4(4) .
C6 C1 C11 N11 -79.6(4) .
C13 N12 C12 N11 1.0(4) .
Ni1 N12 C12 N11 172.4(2) .
C14 N11 C12 N12 -0.9(4) .
C11 N11 C12 N12 -177.1(3) .
C12 N12 C13 C14 -0.7(4) .
Ni1 N12 C13 C14 -171.4(2) .
N12 C13 C14 N11 0.2(4) .
C12 N11 C14 C13 0.4(4) .
C11 N11 C14 C13 176.6(3) .
C32 N31 C31 C3 -175.1(3) .
C34 N31 C31 C3 17.7(6) .
C4 C3 C31 N31 105.3(4) .
C2 C3 C31 N31 -76.3(4) .
C33 N32 C32 N31 1.2(4) .
Ni1 N32 C32 N31 172.7(2) 2_655
C34 N31 C32 N32 -0.4(4) .
C31 N31 C32 N32 -170.3(3) .
C32 N32 C33 C34 -1.6(4) .
Ni1 N32 C33 C34 -173.1(3) 2_655
N32 C33 C34 N31 1.4(4) .
C32 N31 C34 C33 -0.6(4) .
C31 N31 C34 C33 168.1(4) .
C52 N51 C51 C5 151.8(3) .
C54 N51 C51 C5 -27.4(6) .
C6 C5 C51 N51 105.5(4) .
C4 C5 C51 N51 -75.0(4) .
C53 N52 C52 N51 -0.7(4) .
Ni2 N52 C52 N51 165.9(2) .
C54 N51 C52 N52 1.0(4) .
C51 N51 C52 N52 -178.4(3) .
C52 N52 C53 C54 0.0(4) .
Ni2 N52 C53 C54 -165.7(3) .
N52 C53 C54 N51 0.6(4) .
C52 N51 C54 C53 -1.0(4) .
C51 N51 C54 C53 178.4(4) .
C76 N71 C72 C73 -3.0(6) .
Ni2 N71 C72 C73 175.5(3) 4_566
C76 N71 C72 C7 177.3(3) .
Ni2 N71 C72 C7 -4.2(4) 4_566
O2 C7 C72 N71 -173.9(4) .
O1 C7 C72 N71 5.5(6) .
O2 C7 C72 C73 6.4(7) .
O1 C7 C72 C73 -174.1(4) .
N71 C72 C73 C74 0.0(6) .
C7 C72 C73 C74 179.7(4) .
C72 C73 C74 C75 2.4(6) .
C72 C73 C74 C84 -176.5(3) .
C73 C74 C75 C76 -2.0(5) .
C84 C74 C75 C76 176.9(3) .
C72 N71 C76 C75 3.4(5) .
Ni2 N71 C76 C75 -175.1(2) 4_566
C72 N71 C76 C8 -174.9(3) .
Ni2 N71 C76 C8 6.7(4) 4_566
C74 C75 C76 N71 -0.9(5) .
C74 C75 C76 C8 177.2(3) .
O4 C8 C76 N71 165.8(3) .
O3 C8 C76 N71 -12.4(4) .
O4 C8 C76 C75 -12.3(5) .
O3 C8 C76 C75 169.5(3) .
C86 N81 C82 C83 2.8(5) .
Ni1 N81 C82 C83 179.1(3) .
C86 N81 C82 C10 -175.2(3) .
Ni1 N81 C82 C10 1.0(4) .
O8 C10 C82 N81 169.6(3) .
O7 C10 C82 N81 -8.2(4) .
O8 C10 C82 C83 -8.4(5) .
O7 C10 C82 C83 173.9(3) .
N81 C82 C83 C84 -0.9(5) .
C10 C82 C83 C84 176.9(3) .
C82 C83 C84 C85 -1.9(5) .
C82 C83 C84 C74 177.2(3) .
C75 C74 C84 C83 -169.8(3) .
C73 C74 C84 C83 9.1(5) .
C75 C74 C84 C85 9.3(5) .
C73 C74 C84 C85 -171.9(3) .
C83 C84 C85 C86 2.8(5) .
C74 C84 C85 C86 -176.3(3) .
C82 N81 C86 C85 -1.9(4) .
Ni1 N81 C86 C85 -178.2(2) .
C82 N81 C86 C9 176.7(3) .
Ni1 N81 C86 C9 0.4(3) .
C84 C85 C86 N81 -1.0(5) .
C84 C85 C86 C9 -179.5(3) .
O6 C9 C86 N81 -179.5(3) .
O5 C9 C86 N81 -0.3(4) .
O6 C9 C86 C85 -0.9(5) .
O5 C9 C86 C85 178.3(3) .
C106 C101 C102 C103 -2.5(5) .
C111 C101 C102 C103 172.2(3) .
C106 C101 C102 C121 178.1(3) .
C111 C101 C102 C121 -7.2(5) .
C101 C102 C103 C104 4.5(5) .
C121 C102 C103 C104 -176.2(3) .
C101 C102 C103 C131 -178.4(3) .
C121 C102 C103 C131 1.0(5) .
C102 C103 C104 C105 -4.4(5) .
C131 C103 C104 C105 178.4(3) .
C102 C103 C104 C141 173.1(3) .
C131 C103 C104 C141 -4.0(5) .
C103 C104 C105 C106 2.5(5) .
C141 C104 C105 C106 -175.1(3) .
C103 C104 C105 C151 -174.3(3) .
C141 C104 C105 C151 8.1(5) .
C102 C101 C106 C105 0.5(5) .
C111 C101 C106 C105 -174.2(3) .
C102 C101 C106 C161 -179.3(3) .
C111 C101 C106 C161 6.0(5) .
C104 C105 C106 C101 -0.5(5) .
C151 C105 C106 C101 176.4(3) .
C104 C105 C106 C161 179.3(3) .
C151 C105 C106 C161 -3.8(5) .
C112 N111 C111 C101 -156.1(3) .
C114 N111 C111 C101 28.4(5) .
C102 C101 C111 N111 90.1(4) .
C106 C101 C111 N111 -95.1(4) .
C113 N112 C112 N111 0.1(4) .
Ni1 N112 C112 N111 -168.5(2) .
C114 N111 C112 N112 -0.1(4) .
C111 N111 C112 N112 -176.5(3) .
C112 N112 C113 C114 0.0(4) .
Ni1 N112 C113 C114 167.7(3) .
N112 C113 C114 N111 0.0(4) .
C112 N111 C114 C113 0.1(4) .
C111 N111 C114 C113 176.1(3) .
C132 N131 C131 C103 49.0(5) .
C134 N131 C131 C103 -138.0(4) .
C102 C103 C131 N131 56.8(5) .
C104 C103 C131 N131 -126.0(4) .
C133 N132 C132 N131 0.4(4) .
Ni2 N132 C132 N131 -176.8(2) 1_455
C134 N131 C132 N132 -0.7(4) .
C131 N131 C132 N132 173.4(3) .
C132 N132 C133 C134 0.0(5) .
Ni2 N132 C133 C134 177.4(3) 1_455
N132 C133 C134 N131 -0.5(5) .
C132 N131 C134 C133 0.7(5) .
C131 N131 C134 C133 -173.6(4) .
C152 N151 C151 C105 39.3(5) .
C154 N151 C151 C105 -140.6(4) .
C104 C105 C151 N151 -107.0(4) .
C106 C105 C151 N151 76.1(4) .
C153 N152 C152 N151 0.5(4) .
Ni2 N152 C152 N151 179.2(2) .
C154 N151 C152 N152 -0.3(4) .
C151 N151 C152 N152 179.9(3) .
C152 N152 C153 C154 -0.5(4) .
Ni2 N152 C153 C154 -179.4(3) .
N152 C153 C154 N151 0.3(5) .
C152 N151 C154 C153 0.0(4) .
C151 N151 C154 C153 179.8(3) .
