#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/68/7216850.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_7216850
loop_
_publ_author_name
'Hu, Fei-Long'
'Wang, Shu-Long'
'Wu, Bing'
'Yu, Hong'
'Wang, Fan'
'Lang, Jian-Ping'
_publ_section_title
;
 Ligand geometry-directed assembly of seven entangled coordination
 polymers
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              6354
_journal_paper_doi               10.1039/c3ce42545b
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C126 H108 N10 Ni4 O29'
_chemical_formula_weight         2450.98
_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                108.23(3)
_cell_angle_beta                 96.32(3)
_cell_angle_gamma                103.03(3)
_cell_formula_units_Z            1
_cell_length_a                   11.624(2)
_cell_length_b                   13.395(3)
_cell_length_c                   21.378(4)
_cell_measurement_reflns_used    11701
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5165
_cell_measurement_theta_min      3.0022
_cell_volume                     3020.9(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1542
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10888
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  0.8739
_exptl_absorpt_correction_T_min  0.8682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.553
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.101
_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     778
_refine_ls_number_reflns         10890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0848
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1198P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2499
_refine_ls_wR_factor_ref         0.2634
_reflns_number_gt                6191
_reflns_number_total             10890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42545b2.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        3020.9(10)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        C126H108N10Ni4O29
_cod_database_code               7216850
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
Ni1 Ni 0.51739(8) 0.36318(7) -0.08464(5) 0.0293(3) Uani 1 1 d .
Ni2 Ni 0.90426(9) 0.30028(8) 0.61212(5) 0.0349(3) Uani 1 1 d .
O1 O 0.5532(5) 0.4144(4) 0.0178(2) 0.0408(13) Uani 1 1 d .
O2 O 0.5934(5) 0.5568(4) 0.1142(2) 0.0377(13) Uani 1 1 d .
O3 O 0.6952(7) 0.1615(5) 0.2002(3) 0.063(2) Uani 1 1 d .
O4 O 0.6617(7) 0.1439(7) 0.4914(3) 0.096(3) Uani 1 1 d .
O5 O 0.8483(5) 0.2486(4) 0.5089(2) 0.0424(14) Uani 1 1 d .
O6 O 0.9635(6) 0.1625(4) 0.6050(3) 0.0502(15) Uani 1 1 d .
O7 O 0.6243(5) 0.2490(4) -0.0917(3) 0.0421(13) Uani 1 1 d .
O8 O 0.5281(5) 0.2621(4) -0.1819(3) 0.0413(13) Uani 1 1 d .
O9 O 0.8027(10) -0.0894(7) -0.3131(5) 0.126(4) Uani 1 1 d .
O10 O 0.8479(5) -0.5621(4) -0.3779(3) 0.0438(14) Uani 1 1 d .
O11 O 0.6883(6) -0.5877(5) -0.3291(4) 0.068(2) Uani 1 1 d .
O4W O 0.4649(10) 0.3068(12) 0.6945(7) 0.178(6) Uani 1 1 d .
O21 O 0.7359(5) 0.2182(4) 0.6224(3) 0.0461(14) Uani 1 1 d .
H21A H 0.6849 0.2460 0.6112 0.055 Uiso 1 1 d R
H21B H 0.7804 0.1765 0.5982 0.055 Uiso 1 1 d R
N1 N 0.6605(5) 0.4877(5) -0.0864(3) 0.0355(15) Uani 1 1 d .
N2 N 0.3716(5) 0.2362(5) -0.0859(3) 0.0352(15) Uani 1 1 d .
N3 N 1.0708(6) 0.3772(5) 0.5967(3) 0.0378(16) Uani 1 1 d .
N4 N 0.9605(6) 0.3523(5) 0.7164(3) 0.0411(16) Uani 1 1 d .
N6 N 0.9454(11) -0.0186(7) 0.5692(5) 0.084(3) Uani 1 1 d .
C1 C 1.0813(7) 0.5574(7) 0.9735(4) 0.043(2) Uani 1 1 d .
H1 H 1.1359 0.5979 0.9558 0.052 Uiso 1 1 calc R
C2 C 0.9988(7) 0.4627(7) 0.9305(4) 0.041(2) Uani 1 1 d .
C3 C 0.9145(8) 0.4059(7) 0.9584(4) 0.048(2) Uani 1 1 d .
H3 H 0.8556 0.3432 0.9307 0.058 Uiso 1 1 calc R
C4 C 0.9331(8) 0.2826(7) 0.7492(4) 0.054(2) Uani 1 1 d .
H4 H 0.9028 0.2084 0.7242 0.065 Uiso 1 1 calc R
C5 C 0.9474(8) 0.3148(7) 0.8174(4) 0.047(2) Uani 1 1 d .
H5 H 0.9257 0.2624 0.8372 0.056 Uiso 1 1 calc R
C6 C 0.9935(7) 0.4236(7) 0.8580(4) 0.0392(19) Uani 1 1 d .
C7 C 1.0287(8) 0.4962(7) 0.8230(4) 0.044(2) Uani 1 1 d .
H7 H 1.0635 0.5703 0.8469 0.053 Uiso 1 1 calc R
C8 C 1.0123(8) 0.4588(7) 0.7549(4) 0.044(2) Uani 1 1 d .
H8 H 1.0376 0.5084 0.7337 0.053 Uiso 1 1 calc R
C9 C 0.9041(11) 0.0683(9) 0.5736(5) 0.068(3) Uani 1 1 d .
H9 H 0.8261 0.0565 0.5515 0.082 Uiso 1 1 calc R
C10 C 1.0608(11) -0.0039(11) 0.6092(8) 0.104(5) Uani 1 1 d .
H10A H 1.1109 0.0686 0.6182 0.156 Uiso 1 1 calc R
H10B H 1.0989 -0.0565 0.5850 0.156 Uiso 1 1 calc R
H10C H 1.0493 -0.0140 0.6508 0.156 Uiso 1 1 calc R
C11 C 0.8725(15) -0.1278(9) 0.5294(7) 0.128(6) Uani 1 1 d .
H11A H 0.8134 -0.1519 0.5535 0.191 Uiso 1 1 calc R
H11B H 0.9228 -0.1764 0.5207 0.191 Uiso 1 1 calc R
H11C H 0.8327 -0.1277 0.4877 0.191 Uiso 1 1 calc R
C12 C 1.0768(7) 0.4300(6) 0.5531(4) 0.0382(19) Uani 1 1 d .
H12 H 1.0071 0.4444 0.5367 0.046 Uiso 1 1 calc R
C13 C 1.1798(7) 0.4642(8) 0.5310(4) 0.050(2) Uani 1 1 d .
H13 H 1.1784 0.5019 0.5012 0.059 Uiso 1 1 calc R
C14 C 1.2836(7) 0.4439(7) 0.5519(4) 0.044(2) Uani 1 1 d .
C15 C 1.2805(8) 0.3954(7) 0.6005(4) 0.050(2) Uani 1 1 d .
H15 H 1.3508 0.3856 0.6198 0.060 Uiso 1 1 calc R
C16 C 1.1740(8) 0.3617(7) 0.6206(4) 0.048(2) Uani 1 1 d .
H16 H 1.1741 0.3268 0.6519 0.058 Uiso 1 1 calc R
C17 C 1.4235(8) 0.5659(7) 0.5086(5) 0.051(2) Uani 1 1 d .
H17 H 1.3733 0.6119 0.5148 0.062 Uiso 1 1 calc R
C18 C 1.3961(7) 0.4742(7) 0.5262(4) 0.046(2) Uani 1 1 d .
C19 C 1.4751(8) 0.4091(7) 0.5184(5) 0.052(2) Uani 1 1 d .
H19 H 1.4598 0.3481 0.5314 0.063 Uiso 1 1 calc R
C20 C 0.7489(9) 0.1946(7) 0.4729(4) 0.050(2) Uani 1 1 d .
C21 C 0.7319(8) 0.1910(7) 0.4007(4) 0.044(2) Uani 1 1 d .
C22 C 0.6332(10) 0.1203(10) 0.3549(5) 0.092(5) Uani 1 1 d .
H22 H 0.5748 0.0755 0.3680 0.110 Uiso 1 1 calc R
C23 C 0.6196(11) 0.1150(10) 0.2877(5) 0.088(4) Uani 1 1 d .
H23 H 0.5515 0.0678 0.2565 0.106 Uiso 1 1 calc R
C24 C 0.7046(9) 0.1781(7) 0.2689(4) 0.054(2) Uani 1 1 d .
C25 C 0.8051(9) 0.2487(8) 0.3128(4) 0.064(3) Uani 1 1 d .
H25 H 0.8643 0.2921 0.2992 0.077 Uiso 1 1 calc R
C26 C 0.8153(8) 0.2528(8) 0.3798(4) 0.057(3) Uani 1 1 d .
H26 H 0.8830 0.3007 0.4110 0.069 Uiso 1 1 calc R
C27 C 0.6266(7) 0.3892(6) 0.1161(4) 0.0307(17) Uani 1 1 d .
C28 C 0.6570(6) 0.2941(6) 0.0799(4) 0.0301(16) Uani 1 1 d .
H28 H 0.6598 0.2784 0.0346 0.036 Uiso 1 1 calc R
C29 C 0.6826(8) 0.2244(7) 0.1117(4) 0.045(2) Uani 1 1 d .
H29 H 0.7061 0.1637 0.0881 0.054 Uiso 1 1 calc R
C30 C 0.6743(8) 0.2427(7) 0.1754(4) 0.049(2) Uani 1 1 d .
C31 C 0.6498(9) 0.3365(7) 0.2141(4) 0.051(2) Uani 1 1 d .
H31 H 0.6494 0.3505 0.2595 0.061 Uiso 1 1 calc R
C32 C 0.6253(8) 0.4108(7) 0.1834(4) 0.048(2) Uani 1 1 d .
H32 H 0.6083 0.4742 0.2086 0.057 Uiso 1 1 calc R
C33 C 0.5898(7) 0.4587(6) 0.0800(3) 0.0317(17) Uani 1 1 d .
C34 C 0.6876(8) 0.4965(6) -0.1445(4) 0.049(2) Uani 1 1 d .
H34 H 0.6470 0.4400 -0.1842 0.059 Uiso 1 1 calc R
C35 C 0.7722(8) 0.5843(7) -0.1491(4) 0.052(2) Uani 1 1 d .
H35 H 0.7853 0.5867 -0.1909 0.063 Uiso 1 1 calc R
C36 C 0.8375(7) 0.6691(6) -0.0902(4) 0.0342(17) Uani 1 1 d .
C37 C 0.8099(8) 0.6594(6) -0.0314(4) 0.047(2) Uani 1 1 d .
H37 H 0.8496 0.7143 0.0092 0.057 Uiso 1 1 calc R
C38 C 0.7239(8) 0.5692(6) -0.0313(4) 0.048(2) Uani 1 1 d .
H38 H 0.7095 0.5655 0.0100 0.057 Uiso 1 1 calc R
C39 C -0.0635(9) -0.2095(7) -0.1498(4) 0.055(3) Uani 1 1 d .
H39 H -0.1168 -0.2541 -0.1896 0.066 Uiso 1 1 calc R
C40 C 0.0214(8) -0.1184(7) -0.1488(4) 0.055(3) Uani 1 1 d .
H40 H 0.0242 -0.1028 -0.1882 0.066 Uiso 1 1 calc R
C41 C 0.1031(7) -0.0492(6) -0.0905(4) 0.0400(19) Uani 1 1 d .
C42 C 0.0953(9) -0.0748(8) -0.0347(5) 0.066(3) Uani 1 1 d .
H42 H 0.1482 -0.0303 0.0053 0.079 Uiso 1 1 calc R
C43 C 0.0109(9) -0.1650(7) -0.0358(4) 0.061(3) Uani 1 1 d .
H43 H 0.0084 -0.1794 0.0039 0.073 Uiso 1 1 calc R
C44 C -0.0705(7) -0.2356(6) -0.0925(4) 0.0396(19) Uani 1 1 d .
C45 C 0.5964(7) 0.2181(6) -0.1552(4) 0.0386(19) Uani 1 1 d .
C46 C 0.6442(8) 0.1329(6) -0.1964(5) 0.046(2) Uani 1 1 d .
C47 C 0.7016(9) 0.0729(8) -0.1694(5) 0.063(3) Uani 1 1 d .
H47 H 0.7102 0.0861 -0.1235 0.076 Uiso 1 1 calc R
C48 C 0.7466(12) -0.0059(9) -0.2082(6) 0.087(4) Uani 1 1 d .
H48 H 0.7824 -0.0473 -0.1887 0.105 Uiso 1 1 calc R
C49 C 0.7395(12) -0.0245(8) -0.2749(7) 0.085(4) Uani 1 1 d .
C50 C 0.6854(10) 0.0336(8) -0.3026(5) 0.069(3) Uani 1 1 d .
H50 H 0.6808 0.0216 -0.3482 0.083 Uiso 1 1 calc R
C51 C 0.6354(8) 0.1125(7) -0.2643(5) 0.052(2) Uani 1 1 d .
H51 H 0.5963 0.1510 -0.2847 0.062 Uiso 1 1 calc R
C52 C 0.7862(12) -0.1948(8) -0.3164(6) 0.073(3) Uani 1 1 d .
C53 C 0.8784(10) -0.2383(8) -0.3358(5) 0.070(3) Uani 1 1 d .
H53 H 0.9464 -0.1946 -0.3431 0.084 Uiso 1 1 calc R
C54 C 0.8709(8) -0.3450(7) -0.3446(4) 0.049(2) Uani 1 1 d .
H54 H 0.9359 -0.3721 -0.3552 0.059 Uiso 1 1 calc R
C55 C 0.7688(8) -0.4132(7) -0.3381(4) 0.043(2) Uani 1 1 d .
C56 C 0.6767(9) -0.3710(8) -0.3184(5) 0.058(3) Uani 1 1 d .
H56 H 0.6090 -0.4156 -0.3116 0.070 Uiso 1 1 calc R
C57 C 0.6831(11) -0.2623(9) -0.3085(6) 0.079(3) Uani 1 1 d .
H57 H 0.6189 -0.2348 -0.2966 0.095 Uiso 1 1 calc R
C58 C 0.7679(8) -0.5306(7) -0.3495(4) 0.045(2) Uani 1 1 d .
C59 C 0.2720(8) 0.1942(7) -0.1325(5) 0.059(3) Uani 1 1 d .
H59 H 0.2602 0.2288 -0.1632 0.071 Uiso 1 1 calc R
C60 C 0.1833(9) 0.0997(8) -0.1378(5) 0.065(3) Uani 1 1 d .
H60 H 0.1167 0.0706 -0.1728 0.077 Uiso 1 1 calc R
C61 C 0.1964(7) 0.0502(6) -0.0899(4) 0.0383(19) Uani 1 1 d .
C62 C 0.2964(8) 0.0934(7) -0.0428(5) 0.056(3) Uani 1 1 d .
H62 H 0.3103 0.0616 -0.0108 0.067 Uiso 1 1 calc R
C63 C 0.3809(8) 0.1875(7) -0.0418(5) 0.058(3) Uani 1 1 d .
H63 H 0.4484 0.2174 -0.0074 0.069 Uiso 1 1 calc R
O1W O 0.424(2) 0.072(2) 0.4928(15) 0.186(11) Uani 0.50 1 d P
O2W O 0.641(3) 0.883(2) 0.4168(17) 0.240(18) Uani 0.50 1 d P
O3W O 0.295(3) 0.287(2) 0.7366(13) 0.239(19) Uani 0.50 1 d P
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'
Ni Ni 0.3393 1.1124 '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'
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 109.1(2) 2_665 .
O2 Ni1 N1 87.2(2) 2_665 .
O1 Ni1 N1 92.6(2) . .
O2 Ni1 N2 92.1(2) 2_665 .
O1 Ni1 N2 89.0(2) . .
N1 Ni1 N2 178.3(2) . .
O2 Ni1 O8 97.7(2) 2_665 .
O1 Ni1 O8 153.1(2) . .
N1 Ni1 O8 90.8(2) . .
N2 Ni1 O8 87.8(2) . .
O2 Ni1 O7 159.3(2) 2_665 .
O1 Ni1 O7 91.6(2) . .
N1 Ni1 O7 93.6(2) . .
N2 Ni1 O7 86.5(2) . .
O8 Ni1 O7 61.6(2) . .
O2 Ni1 C45 128.5(3) 2_665 .
O1 Ni1 C45 122.3(3) . .
N1 Ni1 C45 92.5(2) . .
N2 Ni1 C45 86.7(2) . .
O8 Ni1 C45 30.9(2) . .
O7 Ni1 C45 30.7(2) . .
O10 Ni2 O5 89.7(2) 1_566 .
O10 Ni2 O6 178.3(2) 1_566 .
O5 Ni2 O6 92.0(2) . .
O10 Ni2 O21 90.5(2) 1_566 .
O5 Ni2 O21 91.2(2) . .
O6 Ni2 O21 89.6(2) . .
O10 Ni2 N3 90.5(2) 1_566 .
O5 Ni2 N3 86.1(2) . .
O6 Ni2 N3 89.4(3) . .
O21 Ni2 N3 177.1(2) . .
O10 Ni2 N4 90.3(2) 1_566 .
O5 Ni2 N4 179.9(3) . .
O6 Ni2 N4 88.0(2) . .
O21 Ni2 N4 88.7(2) . .
N3 Ni2 N4 94.0(3) . .
O10 Ni2 H21B 113.8 1_566 .
O5 Ni2 H21B 79.6 . .
O6 Ni2 H21B 66.7 . .
O21 Ni2 H21B 26.3 . .
N3 Ni2 H21B 151.5 . .
N4 Ni2 H21B 100.3 . .
C33 O1 Ni1 170.0(5) . .
C33 O2 Ni1 122.5(4) . 2_665
C24 O3 C30 120.4(6) . .
C20 O5 Ni2 130.5(6) . .
C9 O6 Ni2 124.9(7) . .
C45 O7 Ni1 89.0(5) . .
C45 O8 Ni1 90.0(5) . .
C52 O9 C49 120.1(9) . .
C58 O10 Ni2 130.3(6) . 1_544
Ni2 O21 H21A 109.5 . .
Ni2 O21 H21B 62.5 . .
H21A O21 H21B 132.3 . .
C38 N1 C34 115.1(6) . .
C38 N1 Ni1 122.8(5) . .
C34 N1 Ni1 121.8(5) . .
C63 N2 C59 116.0(7) . .
C63 N2 Ni1 119.7(5) . .
C59 N2 Ni1 124.1(6) . .
C12 N3 C16 116.0(7) . .
C12 N3 Ni2 120.6(5) . .
C16 N3 Ni2 122.5(6) . .
C4 N4 C8 116.3(7) . .
C4 N4 Ni2 120.5(5) . .
C8 N4 Ni2 122.7(5) . .
C9 N6 C11 121.0(12) . .
C9 N6 C10 119.5(10) . .
C11 N6 C10 119.3(11) . .
C3 C1 C2 122.2(7) 2_767 .
C3 C1 H1 118.9 2_767 .
C2 C1 H1 118.9 . .
C1 C2 C3 117.4(7) . .
C1 C2 C6 122.5(7) . .
C3 C2 C6 120.0(7) . .
C1 C3 C2 120.3(7) 2_767 .
C1 C3 H3 119.9 2_767 .
C2 C3 H3 119.9 . .
N4 C4 C5 123.3(8) . .
N4 C4 H4 118.3 . .
C5 C4 H4 118.3 . .
C4 C5 C6 121.7(8) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C5 C6 C7 114.6(7) . .
C5 C6 C2 123.3(7) . .
C7 C6 C2 122.0(7) . .
C8 C7 C6 120.7(7) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
C7 C8 N4 123.1(8) . .
C7 C8 H8 118.4 . .
N4 C8 H8 118.4 . .
O6 C9 N6 123.5(11) . .
O6 C9 H9 118.3 . .
N6 C9 H9 118.3 . .
N6 C10 H10A 109.5 . .
N6 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N6 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N6 C11 H11A 109.5 . .
N6 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N6 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N3 C12 C13 123.7(8) . .
N3 C12 H12 118.2 . .
C13 C12 H12 118.2 . .
C14 C13 C12 121.0(8) . .
C14 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C13 C14 C15 115.7(8) . .
C13 C14 C18 122.7(8) . .
C15 C14 C18 121.6(8) . .
C16 C15 C14 120.7(8) . .
C16 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
N3 C16 C15 122.6(8) . .
N3 C16 H16 118.7 . .
C15 C16 H16 118.7 . .
C18 C17 C19 121.0(8) . 2_866
C18 C17 H17 119.5 . .
C19 C17 H17 119.5 2_866 .
C17 C18 C19 118.1(8) . .
C17 C18 C14 121.2(8) . .
C19 C18 C14 120.7(8) . .
C17 C19 C18 120.8(8) 2_866 .
C17 C19 H19 119.6 2_866 .
C18 C19 H19 119.6 . .
O5 C20 O4 125.5(8) . .
O5 C20 C21 116.3(8) . .
O4 C20 C21 118.2(8) . .
C26 C21 C22 118.4(8) . .
C26 C21 C20 121.3(8) . .
C22 C21 C20 120.3(8) . .
C21 C22 C23 120.1(10) . .
C21 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C24 C23 C22 119.6(10) . .
C24 C23 H23 120.2 . .
C22 C23 H23 120.2 . .
C23 C24 C25 122.3(9) . .
C23 C24 O3 118.1(9) . .
C25 C24 O3 119.3(9) . .
C24 C25 C26 116.6(9) . .
C24 C25 H25 121.7 . .
C26 C25 H25 121.7 . .
C21 C26 C25 123.0(9) . .
C21 C26 H26 118.5 . .
C25 C26 H26 118.5 . .
C32 C27 C28 118.5(7) . .
C32 C27 C33 122.1(7) . .
C28 C27 C33 119.3(6) . .
C29 C28 C27 120.0(7) . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C30 C29 C28 121.0(8) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C29 C30 C31 121.6(8) . .
C29 C30 O3 115.1(8) . .
C31 C30 O3 123.3(7) . .
C30 C31 C32 118.8(8) . .
C30 C31 H31 120.6 . .
C32 C31 H31 120.6 . .
C27 C32 C31 120.0(8) . .
C27 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
O1 C33 O2 124.9(6) . .
O1 C33 C27 116.6(7) . .
O2 C33 C27 118.4(6) . .
N1 C34 C35 124.4(7) . .
N1 C34 H34 117.8 . .
C35 C34 H34 117.8 . .
C34 C35 C36 119.2(8) . .
C34 C35 H35 120.4 . .
C36 C35 H35 120.4 . .
C37 C36 C35 116.0(7) . .
C37 C36 C44 122.8(7) . 1_665
C35 C36 C44 121.1(7) . 1_665
C36 C37 C38 121.1(7) . .
C36 C37 H37 119.5 . .
C38 C37 H37 119.5 . .
N1 C38 C37 124.2(8) . .
N1 C38 H38 117.9 . .
C37 C38 H38 117.9 . .
C40 C39 C44 121.0(8) . .
C40 C39 H39 119.5 . .
C44 C39 H39 119.5 . .
C39 C40 C41 121.7(8) . .
C39 C40 H40 119.1 . .
C41 C40 H40 119.1 . .
C42 C41 C40 117.0(8) . .
C42 C41 C61 121.5(7) . .
C40 C41 C61 121.5(7) . .
C41 C42 C43 121.2(9) . .
C41 C42 H42 119.4 . .
C43 C42 H42 119.4 . .
C42 C43 C44 123.4(8) . .
C42 C43 H43 118.3 . .
C44 C43 H43 118.3 . .
C43 C44 C39 115.7(7) . .
C43 C44 C36 120.9(7) . 1_445
C39 C44 C36 123.3(7) . 1_445
O7 C45 O8 119.4(7) . .
O7 C45 C46 119.3(7) . .
O8 C45 C46 121.3(8) . .
O7 C45 Ni1 60.3(4) . .
O8 C45 Ni1 59.1(4) . .
C46 C45 Ni1 179.4(7) . .
C47 C46 C51 117.5(8) . .
C47 C46 C45 122.0(9) . .
C51 C46 C45 120.5(8) . .
C46 C47 C48 121.6(10) . .
C46 C47 H47 119.2 . .
C48 C47 H47 119.2 . .
C49 C48 C47 120.8(11) . .
C49 C48 H48 119.6 . .
C47 C48 H48 119.6 . .
C50 C49 C48 119.0(10) . .
C50 C49 O9 118.2(11) . .
C48 C49 O9 122.1(12) . .
C49 C50 C51 121.3(10) . .
C49 C50 H50 119.4 . .
C51 C50 H50 119.4 . .
C46 C51 C50 119.9(9) . .
C46 C51 H51 120.1 . .
C50 C51 H51 120.1 . .
O9 C52 C53 114.2(10) . .
O9 C52 C57 126.5(11) . .
C53 C52 C57 119.0(9) . .
C54 C53 C52 120.4(10) . .
C54 C53 H53 119.8 . .
C52 C53 H53 119.8 . .
C53 C54 C55 121.2(9) . .
C53 C54 H54 119.4 . .
C55 C54 H54 119.4 . .
C56 C55 C54 118.9(9) . .
C56 C55 C58 123.5(9) . .
C54 C55 C58 117.5(8) . .
C55 C56 C57 120.7(10) . .
C55 C56 H56 119.6 . .
C57 C56 H56 119.6 . .
C56 C57 C52 119.6(10) . .
C56 C57 H57 120.2 . .
C52 C57 H57 120.2 . .
O10 C58 O11 125.8(8) . .
O10 C58 C55 116.0(8) . .
O11 C58 C55 118.2(8) . .
N2 C59 C60 123.1(8) . .
N2 C59 H59 118.5 . .
C60 C59 H59 118.5 . .
C61 C60 C59 119.2(8) . .
C61 C60 H60 120.4 . .
C59 C60 H60 120.4 . .
C62 C61 C60 117.3(8) . .
C62 C61 C41 120.2(7) . .
C60 C61 C41 122.5(8) . .
C61 C62 C63 119.5(8) . .
C61 C62 H62 120.2 . .
C63 C62 H62 120.2 . .
N2 C63 C62 124.8(8) . .
N2 C63 H63 117.6 . .
C62 C63 H63 117.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O2 2.018(5) 2_665
Ni1 O1 2.042(5) .
Ni1 N1 2.087(6) .
Ni1 N2 2.104(6) .
Ni1 O8 2.132(5) .
Ni1 O7 2.158(5) .
Ni1 C45 2.484(8) .
Ni2 O10 2.050(5) 1_566
Ni2 O5 2.072(5) .
Ni2 O6 2.079(6) .
Ni2 O21 2.089(5) .
Ni2 N3 2.091(7) .
Ni2 N4 2.093(6) .
Ni2 H21B 1.8527 .
O1 C33 1.253(8) .
O2 C33 1.278(8) .
O2 Ni1 2.018(5) 2_665
O3 C24 1.402(10) .
O3 C30 1.406(9) .
O4 C20 1.261(11) .
O5 C20 1.237(10) .
O6 C9 1.222(11) .
O7 C45 1.270(9) .
O8 C45 1.274(9) .
O9 C52 1.359(11) .
O9 C49 1.392(12) .
O10 C58 1.245(10) .
O10 Ni2 2.050(5) 1_544
O11 C58 1.269(10) .
O21 H21A 0.8200 .
O21 H21B 0.9257 .
N1 C38 1.328(9) .
N1 C34 1.349(10) .
N2 C63 1.310(10) .
N2 C59 1.324(10) .
N3 C12 1.334(9) .
N3 C16 1.336(10) .
N4 C4 1.338(10) .
N4 C8 1.358(10) .
N6 C9 1.337(12) .
N6 C11 1.445(13) .
N6 C10 1.446(14) .
C1 C3 1.374(11) 2_767
C1 C2 1.379(10) .
C1 H1 0.9300 .
C2 C3 1.405(10) .
C2 C6 1.462(10) .
C3 C1 1.374(11) 2_767
C3 H3 0.9300 .
C4 C5 1.365(11) .
C4 H4 0.9300 .
C5 C6 1.384(11) .
C5 H5 0.9300 .
C6 C7 1.421(10) .
C7 C8 1.358(10) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C13 1.370(11) .
C12 H12 0.9300 .
C13 C14 1.355(11) .
C13 H13 0.9300 .
C14 C15 1.385(11) .
C14 C18 1.495(11) .
C15 C16 1.380(12) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.375(11) .
C17 C19 1.388(12) 2_866
C17 H17 0.9300 .
C18 C19 1.392(12) .
C19 C17 1.388(12) 2_866
C19 H19 0.9300 .
C20 C21 1.518(11) .
C21 C26 1.338(11) .
C21 C22 1.362(12) .
C22 C23 1.405(13) .
C22 H22 0.9300 .
C23 C24 1.331(14) .
C23 H23 0.9300 .
C24 C25 1.358(12) .
C25 C26 1.408(12) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C32 1.379(10) .
C27 C28 1.412(9) .
C27 C33 1.484(9) .
C28 C29 1.379(10) .
C28 H28 0.9300 .
C29 C30 1.324(11) .
C29 H29 0.9300 .
C30 C31 1.381(11) .
C31 C32 1.412(10) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C34 C35 1.390(10) .
C34 H34 0.9300 .
C35 C36 1.400(10) .
C35 H35 0.9300 .
C36 C37 1.368(11) .
C36 C44 1.487(10) 1_665
C37 C38 1.384(10) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 C40 1.379(10) .
C39 C44 1.380(11) .
C39 H39 0.9300 .
C40 C41 1.391(10) .
C40 H40 0.9300 .
C41 C42 1.348(12) .
C41 C61 1.510(10) .
C42 C43 1.366(11) .
C42 H42 0.9300 .
C43 C44 1.373(11) .
C43 H43 0.9300 .
C44 C36 1.487(10) 1_445
C45 C46 1.467(11) .
C46 C47 1.368(12) .
C46 C51 1.378(12) .
C47 C48 1.369(13) .
C47 H47 0.9300 .
C48 C49 1.358(16) .
C48 H48 0.9300 .
C49 C50 1.335(15) .
C50 C51 1.402(13) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 C53 1.374(14) .
C52 C57 1.392(14) .
C53 C54 1.363(12) .
C53 H53 0.9300 .
C54 C55 1.375(11) .
C54 H54 0.9300 .
C55 C56 1.365(12) .
C55 C58 1.511(11) .
C56 C57 1.387(13) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C59 C60 1.404(11) .
C59 H59 0.9300 .
C60 C61 1.397(11) .
C60 H60 0.9300 .
C61 C62 1.332(11) .
C62 C63 1.405(11) .
C62 H62 0.9300 .
C63 H63 0.9300 .
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
O2 Ni1 O1 C33 -87(3) 2_665 .
N1 Ni1 O1 C33 1(3) . .
N2 Ni1 O1 C33 -179(100) . .
O8 Ni1 O1 C33 98(3) . .
O7 Ni1 O1 C33 94(3) . .
C45 Ni1 O1 C33 95(3) . .
O10 Ni2 O5 C20 -87.4(8) 1_566 .
O6 Ni2 O5 C20 92.8(8) . .
O21 Ni2 O5 C20 3.1(8) . .
N3 Ni2 O5 C20 -177.9(8) . .
N4 Ni2 O5 C20 10(100) . .
O10 Ni2 O6 C9 135(8) 1_566 .
O5 Ni2 O6 C9 -50.1(8) . .
O21 Ni2 O6 C9 41.0(8) . .
N3 Ni2 O6 C9 -136.2(8) . .
N4 Ni2 O6 C9 129.7(8) . .
O2 Ni1 O7 C45 2.5(8) 2_665 .
O1 Ni1 O7 C45 178.3(4) . .
N1 Ni1 O7 C45 -89.0(5) . .
N2 Ni1 O7 C45 89.3(5) . .
O8 Ni1 O7 C45 0.0(4) . .
O2 Ni1 O8 C45 -179.1(4) 2_665 .
O1 Ni1 O8 C45 -3.7(7) . .
N1 Ni1 O8 C45 93.6(4) . .
N2 Ni1 O8 C45 -87.2(4) . .
O7 Ni1 O8 C45 0.0(4) . .
O2 Ni1 N1 C38 100.7(7) 2_665 .
O1 Ni1 N1 C38 -8.3(7) . .
N2 Ni1 N1 C38 167(8) . .
O8 Ni1 N1 C38 -161.7(7) . .
O7 Ni1 N1 C38 -100.1(7) . .
C45 Ni1 N1 C38 -130.9(7) . .
O2 Ni1 N1 C34 -72.9(7) 2_665 .
O1 Ni1 N1 C34 178.1(6) . .
N2 Ni1 N1 C34 -6(9) . .
O8 Ni1 N1 C34 24.8(7) . .
O7 Ni1 N1 C34 86.4(7) . .
C45 Ni1 N1 C34 55.6(7) . .
O2 Ni1 N2 C63 -146.0(7) 2_665 .
O1 Ni1 N2 C63 -37.0(7) . .
N1 Ni1 N2 C63 148(8) . .
O8 Ni1 N2 C63 116.4(7) . .
O7 Ni1 N2 C63 54.7(7) . .
C45 Ni1 N2 C63 85.5(7) . .
O2 Ni1 N2 C59 40.0(7) 2_665 .
O1 Ni1 N2 C59 149.1(7) . .
N1 Ni1 N2 C59 -26(9) . .
O8 Ni1 N2 C59 -57.6(7) . .
O7 Ni1 N2 C59 -119.2(7) . .
C45 Ni1 N2 C59 -88.4(7) . .
O10 Ni2 N3 C12 -48.2(6) 1_566 .
O5 Ni2 N3 C12 41.5(6) . .
O6 Ni2 N3 C12 133.5(6) . .
O21 Ni2 N3 C12 63(5) . .
N4 Ni2 N3 C12 -138.5(6) . .
O10 Ni2 N3 C16 143.1(7) 1_566 .
O5 Ni2 N3 C16 -127.3(7) . .
O6 Ni2 N3 C16 -35.2(7) . .
O21 Ni2 N3 C16 -106(5) . .
N4 Ni2 N3 C16 52.7(7) . .
O10 Ni2 N4 C4 134.1(7) 1_566 .
O5 Ni2 N4 C4 36(100) . .
O6 Ni2 N4 C4 -46.1(7) . .
O21 Ni2 N4 C4 43.6(7) . .
N3 Ni2 N4 C4 -135.4(7) . .
O10 Ni2 N4 C8 -37.6(7) 1_566 .
O5 Ni2 N4 C8 -135(100) . .
O6 Ni2 N4 C8 142.2(7) . .
O21 Ni2 N4 C8 -128.1(7) . .
N3 Ni2 N4 C8 52.9(7) . .
C3 C1 C2 C3 2.5(15) 2_767 .
C3 C1 C2 C6 179.7(9) 2_767 .
C1 C2 C3 C1 -2.4(15) . 2_767
C6 C2 C3 C1 -179.7(8) . 2_767
C8 N4 C4 C5 4.4(14) . .
Ni2 N4 C4 C5 -167.8(7) . .
N4 C4 C5 C6 -0.8(15) . .
C4 C5 C6 C7 -2.7(13) . .
C4 C5 C6 C2 173.6(9) . .
C1 C2 C6 C5 154.9(9) . .
C3 C2 C6 C5 -28.0(13) . .
C1 C2 C6 C7 -29.1(13) . .
C3 C2 C6 C7 148.0(9) . .
C5 C6 C7 C8 2.5(13) . .
C2 C6 C7 C8 -173.8(8) . .
C6 C7 C8 N4 1.1(14) . .
C4 N4 C8 C7 -4.6(13) . .
Ni2 N4 C8 C7 167.5(7) . .
Ni2 O6 C9 N6 179.1(7) . .
C11 N6 C9 O6 -177.9(10) . .
C10 N6 C9 O6 7.1(17) . .
C16 N3 C12 C13 2.2(12) . .
Ni2 N3 C12 C13 -167.2(7) . .
N3 C12 C13 C14 1.3(14) . .
C12 C13 C14 C15 -5.2(13) . .
C12 C13 C14 C18 176.5(8) . .
C13 C14 C15 C16 5.8(13) . .
C18 C14 C15 C16 -175.8(8) . .
C12 N3 C16 C15 -1.5(12) . .
Ni2 N3 C16 C15 167.7(7) . .
C14 C15 C16 N3 -2.6(14) . .
C19 C17 C18 C19 2.2(15) 2_866 .
C19 C17 C18 C14 -176.8(9) 2_866 .
C13 C14 C18 C17 33.1(13) . .
C15 C14 C18 C17 -145.1(9) . .
C13 C14 C18 C19 -145.9(9) . .
C15 C14 C18 C19 35.8(13) . .
C17 C18 C19 C17 -2.2(15) . 2_866
C14 C18 C19 C17 176.9(9) . 2_866
Ni2 O5 C20 O4 -11.6(15) . .
Ni2 O5 C20 C21 167.8(5) . .
O5 C20 C21 C26 -7.2(14) . .
O4 C20 C21 C26 172.2(10) . .
O5 C20 C21 C22 169.6(10) . .
O4 C20 C21 C22 -10.9(15) . .
C26 C21 C22 C23 -1.3(18) . .
C20 C21 C22 C23 -178.2(11) . .
C21 C22 C23 C24 1(2) . .
C22 C23 C24 C25 -0.3(19) . .
C22 C23 C24 O3 172.5(11) . .
C30 O3 C24 C23 113.7(11) . .
C30 O3 C24 C25 -73.2(12) . .
C23 C24 C25 C26 -0.4(16) . .
O3 C24 C25 C26 -173.2(8) . .
C22 C21 C26 C25 0.6(16) . .
C20 C21 C26 C25 177.4(9) . .
C24 C25 C26 C21 0.3(16) . .
C32 C27 C28 C29 1.0(11) . .
C33 C27 C28 C29 -175.1(7) . .
C27 C28 C29 C30 2.9(12) . .
C28 C29 C30 C31 -5.6(14) . .
C28 C29 C30 O3 176.0(7) . .
C24 O3 C30 C29 171.6(9) . .
C24 O3 C30 C31 -6.8(14) . .
C29 C30 C31 C32 4.3(14) . .
O3 C30 C31 C32 -177.4(8) . .
C28 C27 C32 C31 -2.2(12) . .
C33 C27 C32 C31 173.8(8) . .
C30 C31 C32 C27 -0.3(14) . .
Ni1 O1 C33 O2 61(3) . .
Ni1 O1 C33 C27 -122(3) . .
Ni1 O2 C33 O1 25.9(10) 2_665 .
Ni1 O2 C33 C27 -151.3(5) 2_665 .
C32 C27 C33 O1 -155.3(8) . .
C28 C27 C33 O1 20.7(11) . .
C32 C27 C33 O2 22.1(11) . .
C28 C27 C33 O2 -161.8(7) . .
C38 N1 C34 C35 -1.9(13) . .
Ni1 N1 C34 C35 172.1(8) . .
N1 C34 C35 C36 1.9(15) . .
C34 C35 C36 C37 -1.5(13) . .
C34 C35 C36 C44 179.6(8) . 1_665
C35 C36 C37 C38 1.3(13) . .
C44 C36 C37 C38 -179.9(8) 1_665 .
C34 N1 C38 C37 1.7(13) . .
Ni1 N1 C38 C37 -172.3(7) . .
C36 C37 C38 N1 -1.4(15) . .
C44 C39 C40 C41 0.0(16) . .
C39 C40 C41 C42 -0.3(15) . .
C39 C40 C41 C61 179.6(9) . .
C40 C41 C42 C43 0.2(16) . .
C61 C41 C42 C43 -179.8(9) . .
C41 C42 C43 C44 0.3(17) . .
C42 C43 C44 C39 -0.6(15) . .
C42 C43 C44 C36 -178.4(9) . 1_445
C40 C39 C44 C43 0.5(14) . .
C40 C39 C44 C36 178.2(9) . 1_445
Ni1 O7 C45 O8 0.0(7) . .
Ni1 O7 C45 C46 179.6(6) . .
Ni1 O8 C45 O7 0.0(7) . .
Ni1 O8 C45 C46 -179.6(7) . .
O2 Ni1 C45 O7 -178.9(4) 2_665 .
O1 Ni1 C45 O7 -2.0(5) . .
N1 Ni1 C45 O7 92.7(4) . .
N2 Ni1 C45 O7 -88.8(4) . .
O8 Ni1 C45 O7 180.0(7) . .
O2 Ni1 C45 O8 1.1(5) 2_665 .
O1 Ni1 C45 O8 178.0(4) . .
N1 Ni1 C45 O8 -87.3(4) . .
N2 Ni1 C45 O8 91.2(4) . .
O7 Ni1 C45 O8 -180.0(7) . .
O2 Ni1 C45 C46 141(68) 2_665 .
O1 Ni1 C45 C46 -42(68) . .
N1 Ni1 C45 C46 53(68) . .
N2 Ni1 C45 C46 -129(68) . .
O8 Ni1 C45 C46 140(68) . .
O7 Ni1 C45 C46 -40(67) . .
O7 C45 C46 C47 10.9(12) . .
O8 C45 C46 C47 -169.6(8) . .
Ni1 C45 C46 C47 51(68) . .
O7 C45 C46 C51 -167.3(8) . .
O8 C45 C46 C51 12.2(12) . .
Ni1 C45 C46 C51 -128(67) . .
C51 C46 C47 C48 -1.3(15) . .
C45 C46 C47 C48 -179.6(9) . .
C46 C47 C48 C49 2.5(19) . .
C47 C48 C49 C50 -2(2) . .
C47 C48 C49 O9 168.2(11) . .
C52 O9 C49 C50 -132.6(13) . .
C52 O9 C49 C48 57.6(19) . .
C48 C49 C50 C51 -0.4(18) . .
O9 C49 C50 C51 -170.6(10) . .
C47 C46 C51 C50 -0.6(13) . .
C45 C46 C51 C50 177.6(8) . .
C49 C50 C51 C46 1.5(15) . .
C49 O9 C52 C53 -159.5(12) . .
C49 O9 C52 C57 27(2) . .
O9 C52 C53 C54 -176.6(10) . .
C57 C52 C53 C54 -2.6(18) . .
C52 C53 C54 C55 3.8(16) . .
C53 C54 C55 C56 -4.1(13) . .
C53 C54 C55 C58 179.2(9) . .
C54 C55 C56 C57 3.3(14) . .
C58 C55 C56 C57 179.8(9) . .
C55 C56 C57 C52 -2.2(16) . .
O9 C52 C57 C56 175.0(11) . .
C53 C52 C57 C56 1.8(18) . .
Ni2 O10 C58 O11 -12.4(14) 1_544 .
Ni2 O10 C58 C55 166.6(5) 1_544 .
C56 C55 C58 O10 168.4(8) . .
C54 C55 C58 O10 -15.0(12) . .
C56 C55 C58 O11 -12.5(13) . .
C54 C55 C58 O11 164.0(8) . .
C63 N2 C59 C60 -3.4(15) . .
Ni1 N2 C59 C60 170.8(8) . .
N2 C59 C60 C61 3.5(16) . .
C59 C60 C61 C62 -2.8(15) . .
C59 C60 C61 C41 177.8(9) . .
C42 C41 C61 C62 22.7(13) . .
C40 C41 C61 C62 -157.2(9) . .
C42 C41 C61 C60 -157.9(10) . .
C40 C41 C61 C60 22.1(13) . .
C60 C61 C62 C63 2.3(14) . .
C41 C61 C62 C63 -178.4(8) . .
C59 N2 C63 C62 2.8(15) . .
Ni1 N2 C63 C62 -171.6(8) . .
C61 C62 C63 N2 -2.4(16) . .
