##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2011-07-16
_journal_date_accepted     2011-07-22
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      9
_journal_page_first     m1173
_journal_page_last     m1173
_journal_paper_category     QM
_journal_coeditor_code     SU2297
loop_
    _publ_contact_author_name
    _publ_contact_author_address
    _publ_contact_author_email
    'Tahir, Muhammad Nawaz'
;
Department of Physics
University of Sargodha
Punjab, Pakistan
;
 dmntahir_uos@yahoo.com
    'Kargar, Hadi'
;
Chemistry Department,
Payame Noor University,
Tehran 19395-4697,
Iran
;
 hkargar@pnu.ac.ir
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;\
{2,2'-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]\
diphenolato}nickel(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Kargar, Hadi'
;
Chemistry Department,
Payame Noor University,
Tehran 19395-4697,
Iran
;
    'Kia, Reza'
;
X-ray Crystallography Laboratory,
Plasma Physics Research Center,
and Department of Chemistry
Science and Research Branch
Islamic Azad University
Tehran
Iran
;
    'Moghadam, Majid'
;
Catalysis Division,
Department of Chemistry,
University of Isfahan,
Isfahan 81746-73441,
Iran
;
    'Froozandeh, Fatemeh'
;
Chemistry Department,
Payame Noor University,
Tehran 19395-4697,
Iran
;
    'Tahir, Muhammad Nawaz'
;
Department of Physics
University of Sargodha
Punjab,
Pakistan
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
{2,2'-[(2,2-Dimethylpropane-1,3-
diyldinitrilo)bis(phenylmethylidyne)]diphenolato}nickel(II)
;
_chemical_name_common
;
;
_chemical_formula_moiety     'C31 H28 N2 Ni O2'
_chemical_formula_sum     'C31 H28 N2 Ni O2'
_chemical_formula_iupac     '[Ni (C31 H28 N2 O2)]'
_chemical_formula_weight     519.26
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
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'
_cell_length_a     23.722(3)
_cell_length_b     9.4716(6)
_cell_length_c     26.961(4)
_cell_angle_alpha     90.00
_cell_angle_beta     124.319(9)
_cell_angle_gamma     90.00
_cell_volume     5003.2(10)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     220
_cell_measurement_theta_min     2.92
_cell_measurement_theta_max     20.04
_cell_measurement_temperature     291(2)
_exptl_crystal_description     block
_exptl_crystal_colour     dark-red
_exptl_crystal_size_max     0.24
_exptl_crystal_size_mid     0.12
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.379
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     2176
_exptl_absorpt_coefficient_mu     0.807
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
                              '[MULABS (Blessing, 1995) in PLATON (Spek, 2009)]'
_exptl_absorpt_correction_T_min     0.830
_exptl_absorpt_correction_T_max     1.000
_exptl_special_details     ?
_diffrn_ambient_temperature     291(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Stoe IPDS 2T image-plate'
_diffrn_measurement_method     \w
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     23324
_diffrn_reflns_av_R_equivalents     0.1173
_diffrn_reflns_av_sigmaI/netI     0.3985
_diffrn_reflns_theta_min     1.83
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.977
_diffrn_measured_fraction_theta_full     0.977
_diffrn_reflns_limit_h_min     -28
_diffrn_reflns_limit_h_max     27
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -30
_diffrn_reflns_limit_l_max     32
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
Refinement of <i>F</i>^2^ against ALL reflections. The weighted <i>R</i>-factor
<i>wR</i> and goodness of fit <i>S</i> are based on <i>F</i>^2^, conventional
<i>R</i>-factors <i>R</i> are based on <i>F</i>, with <i>F</i> set to zero for
negative <i>F</i>^2^. The threshold expression of <i>F</i>^2^ >
\s(<i>F</i>^2^) is used only for calculating <i>R</i>-factors(gt) <i>etc</i>.
and is not relevant to the choice of reflections for refinement.
<i>R</i>-factors based on <i>F</i>^2^ are statistically about twice as large
as those based on <i>F</i>, and <i>R</i>- factors based on ALL data will be
even larger.
;
_reflns_number_total     8608
_reflns_number_gt     2512
_reflns_threshold_expression     I>2\s(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.2240
_refine_ls_R_factor_gt     0.0533
_refine_ls_wR_factor_gt     0.0571
_refine_ls_wR_factor_ref     0.0966
_refine_ls_goodness_of_fit_ref     0.614
_refine_ls_restrained_S_all     0.614
_refine_ls_number_reflns     8608
_refine_ls_number_parameters     649
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[\s^2^(Fo^2^)+(0.0050P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.226
_refine_diff_density_min     -0.241
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
_computing_data_collection     'X-AREA (Stoe & Cie, 2009)'
_computing_cell_refinement     'X-AREA (Stoe & Cie, 2009)'
_computing_data_reduction     'X-RED (Stoe & Cie, 2009)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
                             'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ni Ni1 1.02997(5) 0.78653(13) 0.65990(4) 0.0311(3) Uani d . 1 1 . .
    O O1 1.0842(2) 0.8006(7) 0.6312(2) 0.0507(19) Uani d . 1 1 . .
    O O2 1.1123(2) 0.8077(7) 0.7328(2) 0.054(2) Uani d . 1 1 . .
    N N1 0.9521(3) 0.7266(8) 0.5836(2) 0.0324(19) Uani d . 1 1 . .
    N N2 0.9807(3) 0.8051(7) 0.6956(2) 0.0290(18) Uani d . 1 1 . .
    C C1 1.0658(4) 0.8149(10) 0.5766(3) 0.034(2) Uani d . 1 1 . .
    C C2 1.1152(4) 0.8582(9) 0.5660(3) 0.038(3) Uani d . 1 1 . .
    H H2A 1.1595 0.8755 0.5989 0.046 Uiso calc R 1 1 . .
    C C3 1.1012(4) 0.8759(10) 0.5096(3) 0.044(3) Uani d . 1 1 . .
    H H3A 1.1352 0.9040 0.5046 0.052 Uiso calc R 1 1 . .
    C C4 1.0358(4) 0.8513(10) 0.4605(3) 0.047(3) Uani d . 1 1 . .
    H H4A 1.0253 0.8636 0.4220 0.057 Uiso calc R 1 1 . .
    C C5 0.9863(4) 0.8089(10) 0.4683(3) 0.043(3) Uani d . 1 1 . .
    H H5A 0.9424 0.7934 0.4346 0.052 Uiso calc R 1 1 . .
    C C6 0.9993(3) 0.7877(9) 0.5257(3) 0.031(2) Uani d . 1 1 . .
    C C7 0.9468(3) 0.7330(9) 0.5322(3) 0.033(2) Uani d . 1 1 . .
    C C8 0.8828(4) 0.6750(10) 0.4753(3) 0.030(2) Uani d . 1 1 . .
    C C9 0.8779(4) 0.5353(10) 0.4586(3) 0.044(3) Uani d . 1 1 . .
    H H9A 0.9147 0.4745 0.4813 0.053 Uiso calc R 1 1 . .
    C C10 0.8181(4) 0.4868(10) 0.4081(3) 0.050(3) Uani d . 1 1 . .
    H H10A 0.8147 0.3923 0.3974 0.061 Uiso calc R 1 1 . .
    C C11 0.7642(4) 0.5735(11) 0.3738(3) 0.048(3) Uani d . 1 1 . .
    H H11A 0.7236 0.5378 0.3409 0.057 Uiso calc R 1 1 . .
    C C12 0.7699(4) 0.7168(11) 0.3879(3) 0.046(3) Uani d . 1 1 . .
    H H12A 0.7341 0.7778 0.3628 0.055 Uiso calc R 1 1 . .
    C C13 0.8287(4) 0.7687(10) 0.4393(3) 0.046(3) Uani d . 1 1 . .
    H H13A 0.8323 0.8635 0.4497 0.055 Uiso calc R 1 1 . .
    C C14 0.9025(3) 0.6505(8) 0.5891(3) 0.033(2) Uani d . 1 1 . .
    H H14A 0.9262 0.5774 0.6192 0.040 Uiso calc R 1 1 . .
    H H14B 0.8704 0.6041 0.5511 0.040 Uiso calc R 1 1 . .
    C C15 0.8626(4) 0.7401(9) 0.6057(3) 0.034(2) Uani d . 1 1 . .
    C C16 0.9092(3) 0.8557(9) 0.6521(3) 0.036(2) Uani d . 1 1 . .
    H H16A 0.9100 0.9374 0.6308 0.044 Uiso calc R 1 1 . .
    H H16B 0.8900 0.8851 0.6741 0.044 Uiso calc R 1 1 . .
    C C17 1.0024(4) 0.7955(9) 0.7519(3) 0.028(2) Uani d . 1 1 . .
    C C18 0.9564(4) 0.8038(10) 0.7730(3) 0.030(2) Uani d . 1 1 . .
    C C19 0.9331(4) 0.6818(10) 0.7838(3) 0.040(2) Uani d . 1 1 . .
    H H19A 0.9454 0.5946 0.7768 0.048 Uiso calc R 1 1 . .
    C C20 0.8916(3) 0.6868(11) 0.8048(3) 0.042(3) Uani d . 1 1 . .
    H H20A 0.8759 0.6038 0.8116 0.051 Uiso calc R 1 1 . .
    C C21 0.8737(4) 0.8168(14) 0.8157(4) 0.056(3) Uani d . 1 1 . .
    H H21A 0.8464 0.8216 0.8304 0.068 Uiso calc R 1 1 . .
    C C22 0.8962(4) 0.9379(11) 0.8048(4) 0.051(3) Uani d . 1 1 . .
    H H22A 0.8833 1.0249 0.8113 0.061 Uiso calc R 1 1 . .
    C C23 0.9380(4) 0.9330(10) 0.7842(3) 0.038(3) Uani d . 1 1 . .
    H H23A 0.9538 1.0163 0.7778 0.046 Uiso calc R 1 1 . .
    C C24 1.0757(3) 0.7739(9) 0.7995(3) 0.032(2) Uani d . 1 1 . .
    C C25 1.0976(4) 0.7541(9) 0.8595(3) 0.042(3) Uani d . 1 1 . .
    H H25A 1.0650 0.7507 0.8684 0.051 Uiso calc R 1 1 . .
    C C26 1.1646(4) 0.7396(10) 0.9052(3) 0.054(3) Uani d . 1 1 . .
    H H26A 1.1777 0.7251 0.9444 0.065 Uiso calc R 1 1 . .
    C C27 1.2131(4) 0.7473(11) 0.8914(3) 0.056(3) Uani d . 1 1 . .
    H H27A 1.2592 0.7380 0.9219 0.067 Uiso calc R 1 1 . .
    C C28 1.1944(4) 0.7678(10) 0.8345(3) 0.054(3) Uani d . 1 1 . .
    H H28A 1.2280 0.7718 0.8269 0.065 Uiso calc R 1 1 . .
    C C29 1.1253(4) 0.7834(10) 0.7860(3) 0.035(2) Uani d . 1 1 . .
    C C30 0.8047(3) 0.8248(9) 0.5513(3) 0.055(3) Uani d . 1 1 . .
    H H30A 0.7736 0.7605 0.5201 0.083 Uiso calc R 1 1 . .
    H H30B 0.8240 0.8866 0.5363 0.083 Uiso calc R 1 1 . .
    H H30C 0.7807 0.8797 0.5637 0.083 Uiso calc R 1 1 . .
    C C31 0.8321(4) 0.6435(10) 0.6292(3) 0.059(3) Uani d . 1 1 . .
    H H31A 0.8679 0.5918 0.6631 0.088 Uiso calc R 1 1 . .
    H H31B 0.8013 0.5786 0.5982 0.088 Uiso calc R 1 1 . .
    H H31C 0.8077 0.6986 0.6411 0.088 Uiso calc R 1 1 . .
    Ni Ni2 0.53222(5) 0.89266(12) 0.72050(4) 0.0273(3) Uani d . 1 1 . .
    O O3 0.6131(2) 0.9183(7) 0.7276(2) 0.0426(18) Uani d . 1 1 . .
    O O4 0.5829(2) 0.9419(7) 0.8019(2) 0.0405(18) Uani d . 1 1 . .
    N N3 0.4869(3) 0.8180(7) 0.6412(2) 0.0281(18) Uani d . 1 1 . .
    N N4 0.4505(3) 0.9045(7) 0.7181(2) 0.0285(18) Uani d . 1 1 . .
    C C32 0.6266(4) 0.9007(10) 0.6874(3) 0.032(2) Uani d . 1 1 . .
    C C33 0.6938(4) 0.9313(9) 0.7043(3) 0.038(2) Uani d . 1 1 . .
    H H33A 0.7255 0.9647 0.7429 0.046 Uiso calc R 1 1 . .
    C C34 0.7135(4) 0.9136(10) 0.6662(3) 0.045(3) Uani d . 1 1 . .
    H H34A 0.7576 0.9371 0.6782 0.054 Uiso calc R 1 1 . .
    C C35 0.6674(4) 0.8602(9) 0.6091(3) 0.046(3) Uani d . 1 1 . .
    H H35A 0.6811 0.8439 0.5833 0.056 Uiso calc R 1 1 . .
    C C36 0.6019(4) 0.8316(9) 0.5906(3) 0.037(3) Uani d . 1 1 . .
    H H36A 0.5714 0.7994 0.5516 0.044 Uiso calc R 1 1 . .
    C C37 0.5787(3) 0.8485(9) 0.6275(3) 0.028(2) Uani d . 1 1 . .
    C C38 0.5097(3) 0.8071(9) 0.6077(3) 0.025(2) Uani d . 1 1 . .
    C C39 0.4662(4) 0.7477(10) 0.5448(3) 0.034(2) Uani d . 1 1 . .
    C C40 0.4368(4) 0.8401(10) 0.4967(3) 0.043(3) Uani d . 1 1 . .
    H H40A 0.4425 0.9370 0.5033 0.051 Uiso calc R 1 1 . .
    C C41 0.3986(4) 0.7873(13) 0.4380(3) 0.053(3) Uani d . 1 1 . .
    H H41A 0.3800 0.8483 0.4053 0.063 Uiso calc R 1 1 . .
    C C42 0.3889(4) 0.6428(13) 0.4292(4) 0.054(3) Uani d . 1 1 . .
    H H42A 0.3618 0.6070 0.3904 0.065 Uiso calc R 1 1 . .
    C C43 0.4190(4) 0.5516(11) 0.4773(4) 0.054(3) Uani d . 1 1 . .
    H H43A 0.4135 0.4547 0.4710 0.065 Uiso calc R 1 1 . .
    C C44 0.4577(4) 0.6055(10) 0.5355(3) 0.043(2) Uani d . 1 1 . .
    H H44A 0.4778 0.5443 0.5681 0.051 Uiso calc R 1 1 . .
    C C45 0.4199(3) 0.7514(8) 0.6211(3) 0.029(2) Uani d . 1 1 . .
    H H45A 0.4272 0.6851 0.6516 0.035 Uiso calc R 1 1 . .
    H H45B 0.4036 0.6983 0.5846 0.035 Uiso calc R 1 1 . .
    C C46 0.3645(3) 0.8560(9) 0.6092(3) 0.033(2) Uani d . 1 1 . .
    C C47 0.3940(3) 0.9652(9) 0.6615(3) 0.036(2) Uani d . 1 1 . .
    H H47A 0.4099 1.0480 0.6517 0.043 Uiso calc R 1 1 . .
    H H47B 0.3581 0.9947 0.6663 0.043 Uiso calc R 1 1 . .
    C C48 0.4448(3) 0.8768(9) 0.7615(3) 0.026(2) Uani d . 1 1 . .
    C C49 0.3789(3) 0.8908(11) 0.7567(3) 0.029(2) Uani d . 1 1 . .
    C C50 0.3352(4) 0.7777(11) 0.7428(3) 0.044(3) Uani d . 1 1 . .
    H H50A 0.3467 0.6880 0.7372 0.053 Uiso calc R 1 1 . .
    C C51 0.2742(4) 0.8000(12) 0.7373(3) 0.056(3) Uani d . 1 1 . .
    H H51A 0.2445 0.7248 0.7278 0.067 Uiso calc R 1 1 . .
    C C52 0.2570(4) 0.9323(12) 0.7456(4) 0.058(3) Uani d . 1 1 . .
    H H52A 0.2154 0.9462 0.7409 0.070 Uiso calc R 1 1 . .
    C C53 0.2999(4) 1.0415(11) 0.7606(4) 0.055(3) Uani d . 1 1 . .
    H H53A 0.2882 1.1298 0.7673 0.066 Uiso calc R 1 1 . .
    C C54 0.3611(4) 1.0242(10) 0.7661(4) 0.044(3) Uani d . 1 1 . .
    H H54A 0.3903 1.1006 0.7760 0.052 Uiso calc R 1 1 . .
    C C55 0.5051(4) 0.8366(9) 0.8212(3) 0.031(2) Uani d . 1 1 . .
    C C56 0.4964(3) 0.7722(10) 0.8633(3) 0.041(3) Uani d . 1 1 . .
    H H56A 0.4532 0.7419 0.8516 0.049 Uiso calc R 1 1 . .
    C C57 0.5511(4) 0.7536(10) 0.9217(3) 0.051(3) Uani d . 1 1 . .
    H H57A 0.5453 0.7076 0.9491 0.061 Uiso calc R 1 1 . .
    C C58 0.6140(4) 0.8031(11) 0.9394(3) 0.052(3) Uani d . 1 1 . .
    H H58A 0.6503 0.7936 0.9794 0.063 Uiso calc R 1 1 . .
    C C59 0.6246(4) 0.8659(10) 0.8999(3) 0.050(3) Uani d . 1 1 . .
    H H59A 0.6679 0.8988 0.9134 0.060 Uiso calc R 1 1 . .
    C C60 0.5695(4) 0.8823(10) 0.8375(3) 0.029(2) Uani d . 1 1 . .
    C C61 0.3381(4) 0.9449(10) 0.5511(3) 0.059(3) Uani d . 1 1 . .
    H H61A 0.3197 0.8827 0.5172 0.088 Uiso calc R 1 1 . .
    H H61B 0.3752 0.9980 0.5556 0.088 Uiso calc R 1 1 . .
    H H61C 0.3031 1.0084 0.5448 0.088 Uiso calc R 1 1 . .
    C C62 0.3060(3) 0.7700(10) 0.6021(4) 0.058(3) Uani d . 1 1 . .
    H H62A 0.3223 0.7170 0.6381 0.087 Uiso calc R 1 1 . .
    H H62B 0.2886 0.7063 0.5688 0.087 Uiso calc R 1 1 . .
    H H62C 0.2702 0.8325 0.5948 0.087 Uiso calc R 1 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Ni1 0.0228(5) 0.0430(8) 0.0227(5) -0.0028(6) 0.0098(4) 0.0008(6)
    O1 0.026(3) 0.097(6) 0.028(3) -0.009(3) 0.015(3) 0.001(3)
    O2 0.022(3) 0.103(6) 0.029(3) -0.010(3) 0.010(3) -0.001(3)
    N1 0.030(4) 0.043(6) 0.027(3) -0.005(4) 0.019(3) -0.001(4)
    N2 0.021(3) 0.037(5) 0.028(3) 0.000(3) 0.013(3) 0.000(3)
    C1 0.039(5) 0.038(7) 0.037(5) 0.003(5) 0.028(4) -0.003(4)
    C2 0.028(4) 0.053(8) 0.037(4) -0.007(4) 0.020(4) 0.000(4)
    C3 0.042(5) 0.059(8) 0.037(5) -0.006(5) 0.027(4) -0.007(5)
    C4 0.048(5) 0.071(9) 0.036(5) 0.000(5) 0.031(5) 0.001(5)
    C5 0.032(4) 0.062(8) 0.026(4) -0.009(5) 0.010(4) -0.004(5)
    C6 0.022(4) 0.043(6) 0.030(4) -0.009(4) 0.017(4) 0.001(4)
    C7 0.026(4) 0.032(6) 0.025(4) 0.006(4) 0.005(4) 0.001(4)
    C8 0.028(4) 0.035(7) 0.024(4) -0.004(4) 0.014(4) -0.005(4)
    C9 0.033(5) 0.047(7) 0.042(5) 0.007(5) 0.016(4) 0.002(5)
    C10 0.048(6) 0.045(7) 0.039(5) -0.002(5) 0.013(5) -0.011(5)
    C11 0.029(5) 0.074(9) 0.029(4) -0.026(5) 0.009(4) -0.020(5)
    C12 0.031(4) 0.072(8) 0.030(4) 0.011(5) 0.014(4) 0.007(5)
    C13 0.051(5) 0.052(7) 0.032(4) 0.000(5) 0.022(4) -0.007(5)
    C14 0.022(4) 0.043(7) 0.027(4) -0.005(4) 0.009(4) 0.003(4)
    C15 0.031(4) 0.039(7) 0.026(4) 0.002(4) 0.012(4) 0.010(4)
    C16 0.030(4) 0.044(7) 0.034(4) 0.015(4) 0.018(4) 0.015(4)
    C17 0.035(4) 0.030(6) 0.026(4) -0.003(5) 0.022(4) 0.004(4)
    C18 0.028(4) 0.035(6) 0.027(4) -0.005(5) 0.016(4) -0.003(5)
    C19 0.036(5) 0.036(7) 0.044(5) -0.004(4) 0.020(4) -0.010(5)
    C20 0.027(4) 0.078(9) 0.032(4) -0.012(5) 0.023(4) 0.004(5)
    C21 0.036(5) 0.106(11) 0.041(5) 0.014(6) 0.030(4) 0.000(6)
    C22 0.041(5) 0.053(9) 0.057(6) 0.006(5) 0.026(5) 0.001(6)
    C23 0.038(5) 0.049(8) 0.039(5) -0.009(5) 0.029(4) -0.006(5)
    C24 0.016(4) 0.046(7) 0.026(4) 0.002(4) 0.006(3) 0.006(4)
    C25 0.039(5) 0.049(8) 0.043(5) 0.003(5) 0.026(4) 0.013(5)
    C26 0.038(5) 0.093(10) 0.017(4) 0.002(5) 0.006(4) 0.019(5)
    C27 0.028(4) 0.100(10) 0.031(4) 0.010(5) 0.012(4) 0.029(5)
    C28 0.029(4) 0.093(9) 0.041(5) 0.000(5) 0.020(4) 0.012(6)
    C29 0.025(4) 0.045(7) 0.029(4) -0.007(4) 0.011(4) -0.001(5)
    C30 0.034(5) 0.081(9) 0.039(4) 0.011(5) 0.014(4) 0.010(5)
    C31 0.052(5) 0.079(9) 0.056(5) -0.023(5) 0.037(5) -0.014(5)
    Ni2 0.0227(5) 0.0371(8) 0.0204(5) -0.0030(6) 0.0112(4) -0.0031(6)
    O3 0.029(3) 0.065(5) 0.032(3) -0.003(3) 0.016(3) 0.002(3)
    O4 0.030(3) 0.066(5) 0.029(3) -0.016(3) 0.018(3) -0.012(3)
    N3 0.023(3) 0.026(5) 0.035(3) 0.001(3) 0.016(3) -0.002(3)
    N4 0.024(3) 0.034(5) 0.021(3) -0.001(3) 0.009(3) -0.004(4)
    C32 0.025(4) 0.037(6) 0.037(5) 0.001(4) 0.019(4) 0.002(5)
    C33 0.032(5) 0.042(7) 0.032(4) -0.008(4) 0.013(4) 0.004(4)
    C34 0.039(5) 0.066(8) 0.042(5) -0.005(5) 0.031(4) -0.008(5)
    C35 0.051(5) 0.066(8) 0.048(5) -0.002(5) 0.044(5) -0.016(5)
    C36 0.031(5) 0.053(8) 0.021(4) -0.009(4) 0.012(4) -0.006(4)
    C37 0.018(4) 0.039(7) 0.028(4) -0.001(4) 0.014(4) -0.002(4)
    C38 0.033(4) 0.017(6) 0.032(4) 0.006(4) 0.022(4) 0.010(4)
    C39 0.031(4) 0.044(7) 0.026(4) -0.005(4) 0.015(4) -0.007(4)
    C40 0.039(5) 0.051(8) 0.033(5) -0.015(5) 0.017(4) -0.005(5)
    C41 0.042(5) 0.089(9) 0.025(4) 0.011(6) 0.017(4) 0.000(6)
    C42 0.049(6) 0.088(10) 0.019(4) -0.011(6) 0.015(4) -0.028(6)
    C43 0.063(6) 0.051(8) 0.051(6) 0.003(6) 0.034(5) -0.012(6)
    C44 0.045(5) 0.034(7) 0.042(5) -0.002(5) 0.021(4) -0.006(5)
    C45 0.031(4) 0.027(6) 0.025(4) -0.014(4) 0.013(3) -0.005(4)
    C46 0.022(4) 0.042(7) 0.029(4) -0.003(4) 0.010(4) 0.003(4)
    C47 0.026(4) 0.047(7) 0.034(4) 0.005(4) 0.017(4) 0.016(4)
    C48 0.022(4) 0.021(6) 0.032(4) 0.005(4) 0.015(4) 0.007(4)
    C49 0.018(4) 0.041(6) 0.026(4) 0.018(5) 0.012(3) 0.015(5)
    C50 0.039(5) 0.050(7) 0.046(5) -0.003(5) 0.025(4) -0.005(5)
    C51 0.027(5) 0.081(9) 0.054(5) -0.001(6) 0.021(4) 0.029(6)
    C52 0.031(5) 0.079(10) 0.072(7) 0.022(6) 0.033(5) 0.027(7)
    C53 0.048(6) 0.041(8) 0.073(6) 0.012(5) 0.033(5) 0.001(6)
    C54 0.041(5) 0.038(7) 0.060(6) -0.006(5) 0.033(5) -0.003(5)
    C55 0.034(5) 0.043(7) 0.023(4) 0.004(4) 0.020(4) 0.005(4)
    C56 0.025(4) 0.065(8) 0.036(4) 0.010(5) 0.019(4) 0.005(5)
    C57 0.056(6) 0.065(9) 0.041(5) 0.021(6) 0.032(5) 0.017(5)
    C58 0.043(5) 0.080(9) 0.034(5) 0.019(6) 0.022(4) 0.012(6)
    C59 0.025(4) 0.082(9) 0.043(5) 0.008(5) 0.020(4) -0.008(5)
    C60 0.028(5) 0.034(6) 0.032(4) 0.005(4) 0.020(4) -0.001(4)
    C61 0.055(6) 0.066(8) 0.041(5) 0.009(5) 0.019(5) 0.007(5)
    C62 0.036(5) 0.070(9) 0.074(6) -0.012(5) 0.035(5) -0.015(6)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ni1 O2 . 1.841(4) ?
    Ni1 O1 . 1.841(5) ?
    Ni1 N2 . 1.896(6) ?
    Ni1 N1 . 1.918(5) ?
    O1 C1 . 1.286(8) ?
    O2 C29 . 1.307(9) ?
    N1 C7 . 1.319(9) ?
    N1 C14 . 1.458(9) ?
    N2 C17 . 1.302(8) ?
    N2 C16 . 1.497(8) ?
    C1 C6 . 1.413(9) ?
    C1 C2 . 1.415(11) ?
    C2 C3 . 1.369(9) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.378(9) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.363(11) ?
    C4 H4A . 0.9300 ?
    C5 C6 . 1.410(10) ?
    C5 H5A . 0.9300 ?
    C6 C7 . 1.449(10) ?
    C7 C8 . 1.528(9) ?
    C8 C9 . 1.381(10) ?
    C8 C13 . 1.403(10) ?
    C9 C10 . 1.377(10) ?
    C9 H9A . 0.9300 ?
    C10 C11 . 1.354(10) ?
    C10 H10A . 0.9300 ?
    C11 C12 . 1.395(12) ?
    C11 H11A . 0.9300 ?
    C12 C13 . 1.390(9) ?
    C12 H12A . 0.9300 ?
    C13 H13A . 0.9300 ?
    C14 C15 . 1.514(10) ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 C31 . 1.510(10) ?
    C15 C30 . 1.553(9) ?
    C15 C16 . 1.557(10) ?
    C16 H16A . 0.9700 ?
    C16 H16B . 0.9700 ?
    C17 C24 . 1.481(9) ?
    C17 C18 . 1.490(11) ?
    C18 C19 . 1.381(11) ?
    C18 C23 . 1.388(11) ?
    C19 C20 . 1.386(10) ?
    C19 H19A . 0.9300 ?
    C20 C21 . 1.388(12) ?
    C20 H20A . 0.9300 ?
    C21 C22 . 1.366(12) ?
    C21 H21A . 0.9300 ?
    C22 C23 . 1.384(11) ?
    C22 H22A . 0.9300 ?
    C23 H23A . 0.9300 ?
    C24 C25 . 1.405(9) ?
    C24 C29 . 1.415(11) ?
    C25 C26 . 1.361(9) ?
    C25 H25A . 0.9300 ?
    C26 C27 . 1.398(11) ?
    C26 H26A . 0.9300 ?
    C27 C28 . 1.347(10) ?
    C27 H27A . 0.9300 ?
    C28 C29 . 1.415(9) ?
    C28 H28A . 0.9300 ?
    C30 H30A . 0.9600 ?
    C30 H30B . 0.9600 ?
    C30 H30C . 0.9600 ?
    C31 H31A . 0.9600 ?
    C31 H31B . 0.9600 ?
    C31 H31C . 0.9600 ?
    Ni2 O3 . 1.833(5) ?
    Ni2 O4 . 1.872(5) ?
    Ni2 N4 . 1.904(6) ?
    Ni2 N3 . 1.907(6) ?
    O3 C32 . 1.304(9) ?
    O4 C60 . 1.298(9) ?
    N3 C38 . 1.292(9) ?
    N3 C45 . 1.498(8) ?
    N4 C48 . 1.281(9) ?
    N4 C47 . 1.466(8) ?
    C32 C33 . 1.419(10) ?
    C32 C37 . 1.441(9) ?
    C33 C34 . 1.358(10) ?
    C33 H33A . 0.9300 ?
    C34 C35 . 1.387(9) ?
    C34 H34A . 0.9300 ?
    C35 C36 . 1.365(10) ?
    C35 H35A . 0.9300 ?
    C36 C37 . 1.391(10) ?
    C36 H36A . 0.9300 ?
    C37 C38 . 1.460(9) ?
    C38 C39 . 1.511(9) ?
    C39 C44 . 1.364(11) ?
    C39 C40 . 1.384(10) ?
    C40 C41 . 1.400(10) ?
    C40 H40A . 0.9300 ?
    C41 C42 . 1.386(12) ?
    C41 H41A . 0.9300 ?
    C42 C43 . 1.375(12) ?
    C42 H42A . 0.9300 ?
    C43 C44 . 1.393(10) ?
    C43 H43A . 0.9300 ?
    C44 H44A . 0.9300 ?
    C45 C46 . 1.528(10) ?
    C45 H45A . 0.9700 ?
    C45 H45B . 0.9700 ?
    C46 C62 . 1.527(10) ?
    C46 C47 . 1.562(10) ?
    C46 C61 . 1.564(10) ?
    C47 H47A . 0.9700 ?
    C47 H47B . 0.9700 ?
    C48 C55 . 1.477(9) ?
    C48 C49 . 1.500(10) ?
    C49 C50 . 1.387(11) ?
    C49 C54 . 1.399(11) ?
    C50 C51 . 1.385(11) ?
    C50 H50A . 0.9300 ?
    C51 C52 . 1.374(12) ?
    C51 H51A . 0.9300 ?
    C52 C53 . 1.343(12) ?
    C52 H52A . 0.9300 ?
    C53 C54 . 1.385(11) ?
    C53 H53A . 0.9300 ?
    C54 H54A . 0.9300 ?
    C55 C60 . 1.400(10) ?
    C55 C56 . 1.403(10) ?
    C56 C57 . 1.375(8) ?
    C56 H56A . 0.9300 ?
    C57 C58 . 1.367(11) ?
    C57 H57A . 0.9300 ?
    C58 C59 . 1.362(11) ?
    C58 H58A . 0.9300 ?
    C59 C60 . 1.444(9) ?
    C59 H59A . 0.9300 ?
    C61 H61A . 0.9600 ?
    C61 H61B . 0.9600 ?
    C61 H61C . 0.9600 ?
    C62 H62A . 0.9600 ?
    C62 H62B . 0.9600 ?
    C62 H62C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O2 Ni1 O1 . . 82.5(2) ?
    O2 Ni1 N2 . . 92.0(2) ?
    O1 Ni1 N2 . . 169.5(3) ?
    O2 Ni1 N1 . . 167.8(3) ?
    O1 Ni1 N1 . . 92.8(2) ?
    N2 Ni1 N1 . . 94.3(2) ?
    C1 O1 Ni1 . . 128.5(5) ?
    C29 O2 Ni1 . . 127.2(5) ?
    C7 N1 C14 . . 121.6(6) ?
    C7 N1 Ni1 . . 125.2(5) ?
    C14 N1 Ni1 . . 112.5(5) ?
    C17 N2 C16 . . 117.8(6) ?
    C17 N2 Ni1 . . 129.3(5) ?
    C16 N2 Ni1 . . 112.4(4) ?
    O1 C1 C6 . . 124.4(8) ?
    O1 C1 C2 . . 118.5(7) ?
    C6 C1 C2 . . 117.1(7) ?
    C3 C2 C1 . . 123.2(7) ?
    C3 C2 H2A . . 118.4 ?
    C1 C2 H2A . . 118.4 ?
    C2 C3 C4 . . 118.9(8) ?
    C2 C3 H3A . . 120.6 ?
    C4 C3 H3A . . 120.6 ?
    C5 C4 C3 . . 120.2(7) ?
    C5 C4 H4A . . 119.9 ?
    C3 C4 H4A . . 119.9 ?
    C4 C5 C6 . . 122.4(7) ?
    C4 C5 H5A . . 118.8 ?
    C6 C5 H5A . . 118.8 ?
    C5 C6 C1 . . 118.2(7) ?
    C5 C6 C7 . . 120.9(6) ?
    C1 C6 C7 . . 120.8(6) ?
    N1 C7 C6 . . 124.3(6) ?
    N1 C7 C8 . . 119.4(7) ?
    C6 C7 C8 . . 116.2(6) ?
    C9 C8 C13 . . 120.3(7) ?
    C9 C8 C7 . . 121.7(7) ?
    C13 C8 C7 . . 118.0(8) ?
    C10 C9 C8 . . 119.5(8) ?
    C10 C9 H9A . . 120.3 ?
    C8 C9 H9A . . 120.3 ?
    C11 C10 C9 . . 121.5(9) ?
    C11 C10 H10A . . 119.2 ?
    C9 C10 H10A . . 119.2 ?
    C10 C11 C12 . . 119.7(7) ?
    C10 C11 H11A . . 120.2 ?
    C12 C11 H11A . . 120.2 ?
    C13 C12 C11 . . 120.3(8) ?
    C13 C12 H12A . . 119.9 ?
    C11 C12 H12A . . 119.9 ?
    C12 C13 C8 . . 118.6(9) ?
    C12 C13 H13A . . 120.7 ?
    C8 C13 H13A . . 120.7 ?
    N1 C14 C15 . . 115.3(7) ?
    N1 C14 H14A . . 108.5 ?
    C15 C14 H14A . . 108.5 ?
    N1 C14 H14B . . 108.5 ?
    C15 C14 H14B . . 108.5 ?
    H14A C14 H14B . . 107.5 ?
    C31 C15 C14 . . 108.1(7) ?
    C31 C15 C30 . . 109.3(6) ?
    C14 C15 C30 . . 112.2(6) ?
    C31 C15 C16 . . 112.4(6) ?
    C14 C15 C16 . . 110.7(6) ?
    C30 C15 C16 . . 104.2(7) ?
    N2 C16 C15 . . 112.4(6) ?
    N2 C16 H16A . . 109.1 ?
    C15 C16 H16A . . 109.1 ?
    N2 C16 H16B . . 109.1 ?
    C15 C16 H16B . . 109.1 ?
    H16A C16 H16B . . 107.9 ?
    N2 C17 C24 . . 121.3(7) ?
    N2 C17 C18 . . 123.2(6) ?
    C24 C17 C18 . . 115.6(6) ?
    C19 C18 C23 . . 118.7(8) ?
    C19 C18 C17 . . 120.2(9) ?
    C23 C18 C17 . . 121.1(9) ?
    C18 C19 C20 . . 121.3(9) ?
    C18 C19 H19A . . 119.4 ?
    C20 C19 H19A . . 119.4 ?
    C19 C20 C21 . . 119.3(9) ?
    C19 C20 H20A . . 120.3 ?
    C21 C20 H20A . . 120.3 ?
    C22 C21 C20 . . 119.7(9) ?
    C22 C21 H21A . . 120.2 ?
    C20 C21 H21A . . 120.2 ?
    C21 C22 C23 . . 121.0(10) ?
    C21 C22 H22A . . 119.5 ?
    C23 C22 H22A . . 119.5 ?
    C22 C23 C18 . . 120.0(10) ?
    C22 C23 H23A . . 120.0 ?
    C18 C23 H23A . . 120.0 ?
    C25 C24 C29 . . 118.9(6) ?
    C25 C24 C17 . . 120.5(7) ?
    C29 C24 C17 . . 120.5(6) ?
    C26 C25 C24 . . 122.7(8) ?
    C26 C25 H25A . . 118.7 ?
    C24 C25 H25A . . 118.7 ?
    C25 C26 C27 . . 118.1(7) ?
    C25 C26 H26A . . 121.0 ?
    C27 C26 H26A . . 121.0 ?
    C28 C27 C26 . . 121.2(7) ?
    C28 C27 H27A . . 119.4 ?
    C26 C27 H27A . . 119.4 ?
    C27 C28 C29 . . 122.2(8) ?
    C27 C28 H28A . . 118.9 ?
    C29 C28 H28A . . 118.9 ?
    O2 C29 C28 . . 117.7(7) ?
    O2 C29 C24 . . 125.3(6) ?
    C28 C29 C24 . . 117.0(7) ?
    C15 C30 H30A . . 109.5 ?
    C15 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    C15 C30 H30C . . 109.5 ?
    H30A C30 H30C . . 109.5 ?
    H30B C30 H30C . . 109.5 ?
    C15 C31 H31A . . 109.5 ?
    C15 C31 H31B . . 109.5 ?
    H31A C31 H31B . . 109.5 ?
    C15 C31 H31C . . 109.5 ?
    H31A C31 H31C . . 109.5 ?
    H31B C31 H31C . . 109.5 ?
    O3 Ni2 O4 . . 84.3(2) ?
    O3 Ni2 N4 . . 168.5(3) ?
    O4 Ni2 N4 . . 89.7(2) ?
    O3 Ni2 N3 . . 93.6(3) ?
    O4 Ni2 N3 . . 172.1(3) ?
    N4 Ni2 N3 . . 93.6(2) ?
    C32 O3 Ni2 . . 129.0(5) ?
    C60 O4 Ni2 . . 119.7(5) ?
    C38 N3 C45 . . 119.4(6) ?
    C38 N3 Ni2 . . 128.2(5) ?
    C45 N3 Ni2 . . 112.0(5) ?
    C48 N4 C47 . . 121.6(6) ?
    C48 N4 Ni2 . . 126.0(5) ?
    C47 N4 Ni2 . . 112.1(5) ?
    O3 C32 C33 . . 117.8(7) ?
    O3 C32 C37 . . 124.6(7) ?
    C33 C32 C37 . . 117.6(8) ?
    C34 C33 C32 . . 122.4(7) ?
    C34 C33 H33A . . 118.8 ?
    C32 C33 H33A . . 118.8 ?
    C33 C34 C35 . . 119.4(7) ?
    C33 C34 H34A . . 120.3 ?
    C35 C34 H34A . . 120.3 ?
    C36 C35 C34 . . 120.1(7) ?
    C36 C35 H35A . . 119.9 ?
    C34 C35 H35A . . 119.9 ?
    C35 C36 C37 . . 122.9(7) ?
    C35 C36 H36A . . 118.5 ?
    C37 C36 H36A . . 118.5 ?
    C36 C37 C32 . . 117.5(6) ?
    C36 C37 C38 . . 121.4(6) ?
    C32 C37 C38 . . 121.0(7) ?
    N3 C38 C37 . . 123.3(7) ?
    N3 C38 C39 . . 121.5(6) ?
    C37 C38 C39 . . 115.2(7) ?
    C44 C39 C40 . . 120.4(7) ?
    C44 C39 C38 . . 120.8(7) ?
    C40 C39 C38 . . 118.7(8) ?
    C39 C40 C41 . . 119.8(9) ?
    C39 C40 H40A . . 120.1 ?
    C41 C40 H40A . . 120.1 ?
    C42 C41 C40 . . 119.0(9) ?
    C42 C41 H41A . . 120.5 ?
    C40 C41 H41A . . 120.5 ?
    C43 C42 C41 . . 120.8(8) ?
    C43 C42 H42A . . 119.6 ?
    C41 C42 H42A . . 119.6 ?
    C42 C43 C44 . . 119.6(10) ?
    C42 C43 H43A . . 120.2 ?
    C44 C43 H43A . . 120.2 ?
    C39 C44 C43 . . 120.4(9) ?
    C39 C44 H44A . . 119.8 ?
    C43 C44 H44A . . 119.8 ?
    N3 C45 C46 . . 114.5(6) ?
    N3 C45 H45A . . 108.6 ?
    C46 C45 H45A . . 108.6 ?
    N3 C45 H45B . . 108.6 ?
    C46 C45 H45B . . 108.6 ?
    H45A C45 H45B . . 107.6 ?
    C62 C46 C45 . . 107.1(6) ?
    C62 C46 C47 . . 112.2(7) ?
    C45 C46 C47 . . 110.2(5) ?
    C62 C46 C61 . . 109.8(6) ?
    C45 C46 C61 . . 111.8(7) ?
    C47 C46 C61 . . 105.8(7) ?
    N4 C47 C46 . . 111.2(6) ?
    N4 C47 H47A . . 109.4 ?
    C46 C47 H47A . . 109.4 ?
    N4 C47 H47B . . 109.4 ?
    C46 C47 H47B . . 109.4 ?
    H47A C47 H47B . . 108.0 ?
    N4 C48 C55 . . 120.8(6) ?
    N4 C48 C49 . . 123.1(6) ?
    C55 C48 C49 . . 116.0(7) ?
    C50 C49 C54 . . 119.5(7) ?
    C50 C49 C48 . . 122.6(9) ?
    C54 C49 C48 . . 118.0(8) ?
    C51 C50 C49 . . 119.1(9) ?
    C51 C50 H50A . . 120.4 ?
    C49 C50 H50A . . 120.4 ?
    C52 C51 C50 . . 120.6(10) ?
    C52 C51 H51A . . 119.7 ?
    C50 C51 H51A . . 119.7 ?
    C53 C52 C51 . . 120.5(9) ?
    C53 C52 H52A . . 119.7 ?
    C51 C52 H52A . . 119.7 ?
    C52 C53 C54 . . 120.8(10) ?
    C52 C53 H53A . . 119.6 ?
    C54 C53 H53A . . 119.6 ?
    C53 C54 C49 . . 119.4(9) ?
    C53 C54 H54A . . 120.3 ?
    C49 C54 H54A . . 120.3 ?
    C60 C55 C56 . . 120.9(7) ?
    C60 C55 C48 . . 118.5(7) ?
    C56 C55 C48 . . 120.0(7) ?
    C57 C56 C55 . . 120.5(7) ?
    C57 C56 H56A . . 119.7 ?
    C55 C56 H56A . . 119.7 ?
    C58 C57 C56 . . 119.7(9) ?
    C58 C57 H57A . . 120.1 ?
    C56 C57 H57A . . 120.1 ?
    C59 C58 C57 . . 121.6(7) ?
    C59 C58 H58A . . 119.2 ?
    C57 C58 H58A . . 119.2 ?
    C58 C59 C60 . . 120.9(8) ?
    C58 C59 H59A . . 119.6 ?
    C60 C59 H59A . . 119.6 ?
    O4 C60 C55 . . 125.5(6) ?
    O4 C60 C59 . . 118.1(7) ?
    C55 C60 C59 . . 116.3(8) ?
    C46 C61 H61A . . 109.5 ?
    C46 C61 H61B . . 109.5 ?
    H61A C61 H61B . . 109.5 ?
    C46 C61 H61C . . 109.5 ?
    H61A C61 H61C . . 109.5 ?
    H61B C61 H61C . . 109.5 ?
    C46 C62 H62A . . 109.5 ?
    C46 C62 H62B . . 109.5 ?
    H62A C62 H62B . . 109.5 ?
    C46 C62 H62C . . 109.5 ?
    H62A C62 H62C . . 109.5 ?
    H62B C62 H62C . . 109.5 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O2 Ni1 O1 C1 . . . . -169.8(8) ?
    N2 Ni1 O1 C1 . . . . -111.3(13) ?
    N1 Ni1 O1 C1 . . . . 21.5(8) ?
    O1 Ni1 O2 C29 . . . . -165.6(8) ?
    N2 Ni1 O2 C29 . . . . 23.3(8) ?
    N1 Ni1 O2 C29 . . . . -97.8(15) ?
    O2 Ni1 N1 C7 . . . . -79.4(17) ?
    O1 Ni1 N1 C7 . . . . -12.6(8) ?
    N2 Ni1 N1 C7 . . . . 159.7(8) ?
    O2 Ni1 N1 C14 . . . . 91.0(14) ?
    O1 Ni1 N1 C14 . . . . 157.9(6) ?
    N2 Ni1 N1 C14 . . . . -29.9(6) ?
    O2 Ni1 N2 C17 . . . . -16.1(8) ?
    O1 Ni1 N2 C17 . . . . -73.8(17) ?
    N1 Ni1 N2 C17 . . . . 153.5(8) ?
    O2 Ni1 N2 C16 . . . . 155.5(5) ?
    O1 Ni1 N2 C16 . . . . 97.7(13) ?
    N1 Ni1 N2 C16 . . . . -35.0(6) ?
    Ni1 O1 C1 C6 . . . . -16.7(14) ?
    Ni1 O1 C1 C2 . . . . 164.6(6) ?
    O1 C1 C2 C3 . . . . 179.6(9) ?
    C6 C1 C2 C3 . . . . 0.8(14) ?
    C1 C2 C3 C4 . . . . 0.3(15) ?
    C2 C3 C4 C5 . . . . -0.6(14) ?
    C3 C4 C5 C6 . . . . -0.4(15) ?
    C4 C5 C6 C1 . . . . 1.5(15) ?
    C4 C5 C6 C7 . . . . -175.6(9) ?
    O1 C1 C6 C5 . . . . 179.6(9) ?
    C2 C1 C6 C5 . . . . -1.7(13) ?
    O1 C1 C6 C7 . . . . -3.3(14) ?
    C2 C1 C6 C7 . . . . 175.4(8) ?
    C14 N1 C7 C6 . . . . -170.1(7) ?
    Ni1 N1 C7 C6 . . . . -0.5(12) ?
    C14 N1 C7 C8 . . . . 7.6(12) ?
    Ni1 N1 C7 C8 . . . . 177.2(6) ?
    C5 C6 C7 N1 . . . . -171.3(9) ?
    C1 C6 C7 N1 . . . . 11.7(13) ?
    C5 C6 C7 C8 . . . . 11.0(12) ?
    C1 C6 C7 C8 . . . . -166.0(8) ?
    N1 C7 C8 C9 . . . . -88.6(11) ?
    C6 C7 C8 C9 . . . . 89.3(10) ?
    N1 C7 C8 C13 . . . . 92.5(10) ?
    C6 C7 C8 C13 . . . . -89.6(9) ?
    C13 C8 C9 C10 . . . . -3.6(14) ?
    C7 C8 C9 C10 . . . . 177.5(7) ?
    C8 C9 C10 C11 . . . . 1.1(14) ?
    C9 C10 C11 C12 . . . . 3.0(14) ?
    C10 C11 C12 C13 . . . . -4.5(14) ?
    C11 C12 C13 C8 . . . . 2.1(12) ?
    C9 C8 C13 C12 . . . . 2.0(12) ?
    C7 C8 C13 C12 . . . . -179.1(7) ?
    C7 N1 C14 C15 . . . . -117.5(8) ?
    Ni1 N1 C14 C15 . . . . 71.7(7) ?
    N1 C14 C15 C31 . . . . -161.6(6) ?
    N1 C14 C15 C30 . . . . 77.8(8) ?
    N1 C14 C15 C16 . . . . -38.1(8) ?
    C17 N2 C16 C15 . . . . -114.9(8) ?
    Ni1 N2 C16 C15 . . . . 72.5(7) ?
    C31 C15 C16 N2 . . . . 85.4(8) ?
    C14 C15 C16 N2 . . . . -35.6(8) ?
    C30 C15 C16 N2 . . . . -156.4(6) ?
    C16 N2 C17 C24 . . . . -167.8(7) ?
    Ni1 N2 C17 C24 . . . . 3.4(13) ?
    C16 N2 C17 C18 . . . . 12.8(13) ?
    Ni1 N2 C17 C18 . . . . -176.0(7) ?
    N2 C17 C18 C19 . . . . 96.9(10) ?
    C24 C17 C18 C19 . . . . -82.6(9) ?
    N2 C17 C18 C23 . . . . -85.4(11) ?
    C24 C17 C18 C23 . . . . 95.2(9) ?
    C23 C18 C19 C20 . . . . 0.6(11) ?
    C17 C18 C19 C20 . . . . 178.4(6) ?
    C18 C19 C20 C21 . . . . -0.5(11) ?
    C19 C20 C21 C22 . . . . 0.9(11) ?
    C20 C21 C22 C23 . . . . -1.4(12) ?
    C21 C22 C23 C18 . . . . 1.4(12) ?
    C19 C18 C23 C22 . . . . -1.0(11) ?
    C17 C18 C23 C22 . . . . -178.8(7) ?
    N2 C17 C24 C25 . . . . -175.6(9) ?
    C18 C17 C24 C25 . . . . 3.9(12) ?
    N2 C17 C24 C29 . . . . 9.1(13) ?
    C18 C17 C24 C29 . . . . -171.4(9) ?
    C29 C24 C25 C26 . . . . -1.9(14) ?
    C17 C24 C25 C26 . . . . -177.2(8) ?
    C24 C25 C26 C27 . . . . 1.0(15) ?
    C25 C26 C27 C28 . . . . -0.3(17) ?
    C26 C27 C28 C29 . . . . 0.3(17) ?
    Ni1 O2 C29 C28 . . . . 162.6(6) ?
    Ni1 O2 C29 C24 . . . . -18.6(15) ?
    C27 C28 C29 O2 . . . . 177.7(10) ?
    C27 C28 C29 C24 . . . . -1.1(15) ?
    C25 C24 C29 O2 . . . . -176.9(9) ?
    C17 C24 C29 O2 . . . . -1.6(15) ?
    C25 C24 C29 C28 . . . . 1.8(14) ?
    C17 C24 C29 C28 . . . . 177.2(8) ?
    O4 Ni2 O3 C32 . . . . 177.9(8) ?
    N4 Ni2 O3 C32 . . . . -123.1(13) ?
    N3 Ni2 O3 C32 . . . . 5.5(8) ?
    O3 Ni2 O4 C60 . . . . -144.8(6) ?
    N4 Ni2 O4 C60 . . . . 45.0(6) ?
    O3 Ni2 N3 C38 . . . . -5.1(8) ?
    N4 Ni2 N3 C38 . . . . 165.9(7) ?
    O3 Ni2 N3 C45 . . . . 167.7(5) ?
    N4 Ni2 N3 C45 . . . . -21.3(5) ?
    O3 Ni2 N4 C48 . . . . -90.3(15) ?
    O4 Ni2 N4 C48 . . . . -31.7(8) ?
    N3 Ni2 N4 C48 . . . . 141.1(8) ?
    O3 Ni2 N4 C47 . . . . 83.4(13) ?
    O4 Ni2 N4 C47 . . . . 142.0(5) ?
    N3 Ni2 N4 C47 . . . . -45.2(6) ?
    Ni2 O3 C32 C33 . . . . 178.6(6) ?
    Ni2 O3 C32 C37 . . . . -3.3(14) ?
    O3 C32 C33 C34 . . . . 178.6(9) ?
    C37 C32 C33 C34 . . . . 0.3(14) ?
    C32 C33 C34 C35 . . . . -1.8(15) ?
    C33 C34 C35 C36 . . . . 2.8(15) ?
    C34 C35 C36 C37 . . . . -2.5(15) ?
    C35 C36 C37 C32 . . . . 1.0(14) ?
    C35 C36 C37 C38 . . . . -175.4(8) ?
    O3 C32 C37 C36 . . . . -178.0(9) ?
    C33 C32 C37 C36 . . . . 0.1(12) ?
    O3 C32 C37 C38 . . . . -1.6(14) ?
    C33 C32 C37 C38 . . . . 176.6(8) ?
    C45 N3 C38 C37 . . . . -170.0(7) ?
    Ni2 N3 C38 C37 . . . . 2.3(12) ?
    C45 N3 C38 C39 . . . . 9.1(12) ?
    Ni2 N3 C38 C39 . . . . -178.6(5) ?
    C36 C37 C38 N3 . . . . 178.3(8) ?
    C32 C37 C38 N3 . . . . 2.0(13) ?
    C36 C37 C38 C39 . . . . -0.9(12) ?
    C32 C37 C38 C39 . . . . -177.1(8) ?
    N3 C38 C39 C44 . . . . -79.4(11) ?
    C37 C38 C39 C44 . . . . 99.8(9) ?
    N3 C38 C39 C40 . . . . 102.9(10) ?
    C37 C38 C39 C40 . . . . -78.0(10) ?
    C44 C39 C40 C41 . . . . -0.5(13) ?
    C38 C39 C40 C41 . . . . 177.3(7) ?
    C39 C40 C41 C42 . . . . 2.2(13) ?
    C40 C41 C42 C43 . . . . -3.1(15) ?
    C41 C42 C43 C44 . . . . 2.2(15) ?
    C40 C39 C44 C43 . . . . -0.5(14) ?
    C38 C39 C44 C43 . . . . -178.2(8) ?
    C42 C43 C44 C39 . . . . -0.4(14) ?
    C38 N3 C45 C46 . . . . -116.3(8) ?
    Ni2 N3 C45 C46 . . . . 70.2(7) ?
    N3 C45 C46 C62 . . . . -168.5(6) ?
    N3 C45 C46 C47 . . . . -46.1(8) ?
    N3 C45 C46 C61 . . . . 71.2(8) ?
    C48 N4 C47 C46 . . . . -110.5(9) ?
    Ni2 N4 C47 C46 . . . . 75.5(7) ?
    C62 C46 C47 N4 . . . . 91.3(8) ?
    C45 C46 C47 N4 . . . . -28.0(9) ?
    C61 C46 C47 N4 . . . . -149.0(7) ?
    C47 N4 C48 C55 . . . . -170.5(7) ?
    Ni2 N4 C48 C55 . . . . 2.6(13) ?
    C47 N4 C48 C49 . . . . 5.8(14) ?
    Ni2 N4 C48 C49 . . . . 178.9(7) ?
    N4 C48 C49 C50 . . . . 95.3(11) ?
    C55 C48 C49 C50 . . . . -88.2(10) ?
    N4 C48 C49 C54 . . . . -84.0(11) ?
    C55 C48 C49 C54 . . . . 92.5(9) ?
    C54 C49 C50 C51 . . . . 1.3(12) ?
    C48 C49 C50 C51 . . . . -178.0(7) ?
    C49 C50 C51 C52 . . . . -0.2(13) ?
    C50 C51 C52 C53 . . . . -1.5(14) ?
    C51 C52 C53 C54 . . . . 2.0(15) ?
    C52 C53 C54 C49 . . . . -0.8(14) ?
    C50 C49 C54 C53 . . . . -0.9(12) ?
    C48 C49 C54 C53 . . . . 178.5(7) ?
    N4 C48 C55 C60 . . . . 25.5(13) ?
    C49 C48 C55 C60 . . . . -151.1(8) ?
    N4 C48 C55 C56 . . . . -163.6(9) ?
    C49 C48 C55 C56 . . . . 19.8(12) ?
    C60 C55 C56 C57 . . . . 0.5(14) ?
    C48 C55 C56 C57 . . . . -170.2(8) ?
    C55 C56 C57 C58 . . . . 2.5(14) ?
    C56 C57 C58 C59 . . . . -2.6(16) ?
    C57 C58 C59 C60 . . . . -0.2(15) ?
    Ni2 O4 C60 C55 . . . . -32.1(12) ?
    Ni2 O4 C60 C59 . . . . 150.6(6) ?
    C56 C55 C60 O4 . . . . 179.5(9) ?
    C48 C55 C60 O4 . . . . -9.7(13) ?
    C56 C55 C60 C59 . . . . -3.2(13) ?
    C48 C55 C60 C59 . . . . 167.6(7) ?
    C58 C59 C60 O4 . . . . -179.4(9) ?
    C58 C59 C60 C55 . . . . 3.1(13) ?