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###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2006-10-31
_journal_date_accepted     2006-12-11
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2007
_journal_volume     63
_journal_issue      2
_journal_page_first     m42
_journal_page_last     m44
_journal_paper_category     FM
_journal_coeditor_code     LN3026
_publ_contact_author_name     'Prof. Li, Yi-Zhi'
_publ_contact_author_address
;
State Key Laboratory of Coordination Chemistry,
School of Chemistry and Chemical Engineering,
Nanjing University,
Nanjing 210093
P. R. China
;
_publ_contact_author_email     llyyjz@nju.edu.cn
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Bis(μ-acetato)(μ-2,6-bis{[(2-hydroxyethyl)(2-pyridylmethyl)amino]methyl}-
4-methylphenolato)dinickel(II) hexafluorophosphate hemihydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Chen, Jing-Wen'
;
School of Chemical Engineering,
Yancheng Institute of Technology,
Yancheng, 214003
People's Republic of China
;
    'Liu, Bin'
;
Department of Chemistry,
Central South University,
Changsha 410083
People's Republic of China
;
    'Chen, Xiao-Qing'
;
Department of Chemistry,
Central South University,
Changsha 410083
People's Republic of China
;
    'Li, Yi-Zhi'
;
State Key Laboratory of Coordination Chemistry,
School of Chemistry and Chemical Engineering,
Nanjing University,
Nanjing 210093
People's Republic of China
;
data_I
_chemical_name_systematic
;
Bis(μ-acetato)(μ-2,6-bis{[(2-hydroxyethyl)(2-pyridylmethyl)amino]methyl}-
4-methylphenolato)dinickel(II) hexafluorophosphate hemihydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     '(C29 H37 N4 Ni2 O7 +), (F6 P -), 0.5(H2 O)'
_chemical_formula_sum     'C29 H38 F6 N4 Ni2 O7.5 P1'
_chemical_formula_iupac     '[Ni2 (C25 H31 N4 O3) (C2 H3 O2)2] P F6, 0.5H2 O'
_chemical_formula_weight     825.025
_chemical_melting_point     '509.6(5)'
_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     15.7776(19)
_cell_length_b     17.191(2)
_cell_length_c     25.513(3)
_cell_angle_alpha     90.00
_cell_angle_beta     93.914(3)
_cell_angle_gamma     90.00
_cell_volume     6904.0(14)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     804
_cell_measurement_theta_min     2.44
_cell_measurement_theta_max     15.73
_cell_measurement_temperature     291(2)
_exptl_crystal_description     needle
_exptl_crystal_colour     green
_exptl_crystal_size_max     0.28
_exptl_crystal_size_mid     0.24
_exptl_crystal_size_min     0.22
_exptl_crystal_density_diffrn     1.587
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     3400
_exptl_absorpt_coefficient_mu     1.221
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Bruker, 2000)'
_exptl_absorpt_correction_T_min     0.72
_exptl_absorpt_correction_T_max     0.76
_exptl_special_details
;
;
_diffrn_ambient_temperature     291(2)
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'sealed tube'
_diffrn_radiation_monochromator     'graphite'
_diffrn_measurement_device_type     'Bruker APEX CCD'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     36723
_diffrn_reflns_av_R_equivalents     0.0439
_diffrn_reflns_av_sigmaI/netI     0.0659
_diffrn_reflns_theta_min     1.75
_diffrn_reflns_theta_max     26.00
_diffrn_reflns_theta_full     26.00
_diffrn_measured_fraction_theta_max     0.995
_diffrn_measured_fraction_theta_full     0.995
_diffrn_reflns_limit_h_min     -19
_diffrn_reflns_limit_h_max     16
_diffrn_reflns_limit_k_min     -20
_diffrn_reflns_limit_k_max     21
_diffrn_reflns_limit_l_min     -30
_diffrn_reflns_limit_l_max     31
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     13513
_reflns_number_gt     9603
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0989
_refine_ls_R_factor_gt     0.0601
_refine_ls_wR_factor_gt     0.0945
_refine_ls_wR_factor_ref     0.1018
_refine_ls_goodness_of_fit_ref     1.103
_refine_ls_restrained_S_all     1.105
_refine_ls_number_reflns     13513
_refine_ls_number_parameters     916
_refine_ls_number_restraints     3
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0298P)²+5.0551P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.020
_refine_ls_shift/su_mean     0.001
_refine_diff_density_max     0.475
_refine_diff_density_min     -0.419
_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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'F' 'F' 0.0171 0.0103
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'P' 'P' 0.1023 0.0942
                         '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'
_computing_data_collection     'SMART (Bruker, 2000)'
_computing_cell_refinement     'SMART'
_computing_data_reduction     'SAINT (Bruker, 2000)'
_computing_structure_solution     'SHELXTL (Bruker, 2000)'
_computing_structure_refinement     'SHELXTL'
_computing_molecular_graphics     'SHELXTL'
_computing_publication_material     'SHELXTL'
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_disorder_assembly
    _atom_site_disorder_group
    Ni Ni1 0.54320(3) 0.78470(3) 0.46951(2) 0.03709(13) Uani d . 1 . .
    Ni Ni2 0.33237(3) 0.77866(3) 0.490289(19) 0.03253(12) Uani d . 1 . .
    N N1 0.61751(19) 0.68250(16) 0.47567(12) 0.0337(7) Uani d . 1 . .
    N N2 0.24926(19) 0.7306(2) 0.43004(12) 0.0409(8) Uani d . 1 . .
    N N3 0.56413(17) 0.76482(16) 0.39065(12) 0.0313(7) Uani d . 1 . .
    N N4 0.29435(19) 0.68072(17) 0.52949(12) 0.0352(7) Uani d . 1 . .
    O O1 0.43301(15) 0.72605(15) 0.46242(10) 0.0375(6) Uani d . 1 . .
    O O2 0.66820(17) 0.83241(16) 0.48823(12) 0.0438(7) Uani d . 1 . .
    H H2 0.666(3) 0.862(3) 0.5105(18) 0.053 Uiso d . 1 . .
    O O3 0.21475(17) 0.83544(15) 0.50327(11) 0.0401(6) Uani d . 1 . .
    H H3 0.199(3) 0.812(2) 0.5299(17) 0.048 Uiso d . 1 . .
    O O4 0.49467(16) 0.88996(14) 0.45591(11) 0.0394(6) Uani d . 1 . .
    O O5 0.35525(16) 0.88416(15) 0.45299(10) 0.0415(7) Uani d . 1 . .
    O O6 0.53072(15) 0.79184(15) 0.54994(10) 0.0379(6) Uani d . 1 . .
    O O7 0.39566(15) 0.82015(15) 0.55780(10) 0.0388(6) Uani d . 1 . .
    C C1 0.4303(2) 0.6589(2) 0.44025(14) 0.0340(8) Uani d . 1 . .
    C C2 0.3641(2) 0.6397(2) 0.40119(16) 0.0373(9) Uani d . 1 . .
    C C3 0.3590(3) 0.5685(3) 0.37842(17) 0.0527(11) Uani d . 1 . .
    H H3A 0.3129 0.5578 0.3548 0.063 Uiso calc R 1 . .
    C C4 0.4178(3) 0.5122(2) 0.38848(16) 0.0452(10) Uani d . 1 . .
    C C5 0.4833(3) 0.5316(2) 0.42539(15) 0.0413(10) Uani d . 1 . .
    H H5 0.5248 0.4942 0.4331 0.050 Uiso calc R 1 . .
    C C6 0.4915(3) 0.6006(2) 0.45106(16) 0.0410(9) Uani d . 1 . .
    C C7 0.5603(2) 0.6191(2) 0.49181(16) 0.0385(9) Uani d . 1 . .
    H H7A 0.5939 0.5727 0.4994 0.046 Uiso calc R 1 . .
    H H7B 0.5351 0.6345 0.5238 0.046 Uiso calc R 1 . .
    C C8 0.4171(3) 0.4362(2) 0.36068(16) 0.0495(11) Uani d . 1 . .
    H H8A 0.3602 0.4162 0.3573 0.074 Uiso calc R 1 . .
    H H8B 0.4532 0.4001 0.3804 0.074 Uiso calc R 1 . .
    H H8C 0.4376 0.4432 0.3264 0.074 Uiso calc R 1 . .
    C C9 0.3009(2) 0.7031(2) 0.38678(15) 0.0370(9) Uani d . 1 . .
    H H9A 0.3314 0.7473 0.3738 0.044 Uiso calc R 1 . .
    H H9B 0.2624 0.6846 0.3582 0.044 Uiso calc R 1 . .
    C C10 0.6551(2) 0.6641(2) 0.42515(14) 0.0455(10) Uani d D 1 . .
    H H10A 0.7150 0.6773 0.4281 0.055 Uiso calc R 1 . .
    H H10B 0.6503 0.6087 0.4186 0.055 Uiso calc R 1 . .
    C C11 0.6140(2) 0.70582(19) 0.38106(13) 0.0357(9) Uani d D 1 . .
    C C12 0.6310(3) 0.6866(3) 0.33271(16) 0.0559(12) Uani d . 1 . .
    H H12 0.6689 0.6466 0.3268 0.067 Uiso calc R 1 . .
    C C13 0.5916(3) 0.7269(3) 0.29116(19) 0.0657(14) Uani d . 1 . .
    H H13 0.6017 0.7126 0.2570 0.079 Uiso calc R 1 . .
    C C14 0.5392(3) 0.7861(3) 0.29914(19) 0.0632(14) Uani d . 1 . .
    H H14 0.5123 0.8139 0.2715 0.076 Uiso calc R 1 . .
    C C15 0.5275(3) 0.8035(2) 0.35027(16) 0.0415(10) Uani d . 1 . .
    H H15 0.4918 0.8448 0.3572 0.050 Uiso calc R 1 . .
    C C16 0.6876(3) 0.7012(2) 0.51752(18) 0.0520(12) Uani d . 1 . .
    H H16A 0.6640 0.7046 0.5516 0.062 Uiso calc R 1 . .
    H H16B 0.7297 0.6600 0.5190 0.062 Uiso calc R 1 . .
    C C17 0.7282(3) 0.7765(3) 0.50487(18) 0.0523(11) Uani d . 1 . .
    H H17A 0.7610 0.7954 0.5358 0.063 Uiso calc R 1 . .
    H H17B 0.7669 0.7681 0.4775 0.063 Uiso calc R 1 . .
    C C18 0.2025(2) 0.6660(2) 0.45048(15) 0.0414(10) Uani d . 1 . .
    H H18A 0.2030 0.6235 0.4255 0.050 Uiso calc R 1 . .
    H H18B 0.1438 0.6819 0.4525 0.050 Uiso calc R 1 . .
    C C19 0.2345(2) 0.6362(2) 0.50307(15) 0.0320(8) Uani d . 1 . .
    C C20 0.2031(3) 0.5720(2) 0.52414(18) 0.0505(11) Uani d . 1 . .
    H H20 0.1609 0.5435 0.5056 0.061 Uiso calc R 1 . .
    C C21 0.2330(3) 0.5485(3) 0.5726(2) 0.0668(14) Uani d . 1 . .
    H H21 0.2124 0.5033 0.5872 0.080 Uiso calc R 1 . .
    C C22 0.2934(3) 0.5915(3) 0.5997(2) 0.0673(15) Uani d . 1 . .
    H H22 0.3141 0.5769 0.6333 0.081 Uiso calc R 1 . .
    C C23 0.3229(3) 0.6563(3) 0.57677(18) 0.0509(11) Uani d . 1 . .
    H H23 0.3652 0.6851 0.5951 0.061 Uiso calc R 1 . .
    C C24 0.1933(2) 0.7948(3) 0.41343(15) 0.0450(10) Uani d . 1 . .
    H H24A 0.1487 0.7757 0.3887 0.054 Uiso calc R 1 . .
    H H24B 0.2255 0.8336 0.3956 0.054 Uiso calc R 1 . .
    C C25 0.1535(3) 0.8323(3) 0.46015(17) 0.0483(11) Uani d . 1 . .
    H H25A 0.1342 0.8844 0.4509 0.058 Uiso calc R 1 . .
    H H25B 0.1049 0.8020 0.4695 0.058 Uiso calc R 1 . .
    C C26 0.4707(2) 0.8073(2) 0.57660(15) 0.0351(8) Uani d . 1 . .
    C C27 0.4868(3) 0.8130(3) 0.63477(16) 0.0517(11) Uani d . 1 . .
    H H27A 0.5041 0.7632 0.6487 0.062 Uiso calc R 1 . .
    H H27C 0.4358 0.8292 0.6501 0.062 Uiso calc R 1 . .
    H H27B 0.5310 0.8504 0.6430 0.062 Uiso calc R 1 . .
    C C28 0.4236(2) 0.9168(2) 0.44654(15) 0.0378(9) Uani d . 1 . .
    C C29 0.4181(3) 0.9993(2) 0.42881(18) 0.0509(11) Uani d . 1 . .
    H H29A 0.4413 1.0326 0.4564 0.076 Uiso calc R 1 . .
    H H29B 0.3597 1.0128 0.4204 0.076 Uiso calc R 1 . .
    H H29C 0.4497 1.0058 0.3983 0.076 Uiso calc R 1 . .
    Ni Ni3 0.18799(3) 0.94476(3) 0.63169(2) 0.03748(12) Uani d . 1 . .
    Ni Ni4 -0.02340(3) 0.96572(3) 0.64428(2) 0.04316(14) Uani d . 1 . .
    O O8 0.09418(16) 0.96703(14) 0.67716(10) 0.0372(6) Uani d . 1 . .
    O O9 0.29492(18) 0.94084(16) 0.58567(11) 0.0426(7) Uani d . 1 . .
    H H9 0.317(3) 0.899(3) 0.5893(17) 0.051 Uiso d . 1 . .
    O O10 -0.15073(19) 0.94549(18) 0.61502(13) 0.0534(8) Uani d . 1 . .
    H H10 -0.152(3) 0.926(3) 0.5861(19) 0.064 Uiso d . 1 . .
    O O11 0.14149(17) 1.02106(16) 0.57337(11) 0.0464(7) Uani d . 1 . .
    O O12 0.00436(17) 1.02009(16) 0.57890(12) 0.0496(7) Uani d . 1 . .
    O O13 0.13024(18) 0.85538(15) 0.59146(11) 0.0468(7) Uani d . 1 . .
    O O14 -0.00036(18) 0.85345(17) 0.61917(13) 0.0547(8) Uani d . 1 . .
    N N5 0.26711(19) 1.0279(2) 0.67245(13) 0.0448(8) Uani d . 1 . .
    N N6 -0.0742(2) 0.9264(2) 0.71081(14) 0.0509(9) Uani d . 1 . .
    N N7 0.2495(2) 0.8707(2) 0.68456(13) 0.0437(8) Uani d . 1 . .
    N N8 -0.0492(2) 1.0699(2) 0.67971(14) 0.0493(9) Uani d . 1 . .
    C C30 0.1054(3) 0.9900(3) 0.72570(18) 0.0546(12) Uani d . 1 . .
    C C31 0.1655(3) 1.0502(3) 0.74111(19) 0.0580(12) Uani d . 1 . .
    C C32 0.1742(3) 1.0723(3) 0.7926(2) 0.0607(13) Uani d . 1 . .
    H H32 0.2121 1.1117 0.8029 0.073 Uiso calc R 1 . .
    C C33 0.1264(4) 1.0361(4) 0.8303(2) 0.0767(16) Uani d . 1 . .
    C C34 0.0708(3) 0.9783(3) 0.81221(19) 0.0651(14) Uani d . 1 . .
    H H34 0.0380 0.9547 0.8366 0.078 Uiso calc R 1 . .
    C C35 0.0605(3) 0.9544(3) 0.7641(2) 0.0602(13) Uani d . 1 . .
    C C36 0.2133(3) 1.0869(2) 0.69908(19) 0.0527(12) Uani d . 1 . .
    H H36A 0.2495 1.1277 0.7143 0.063 Uiso calc R 1 . .
    H H36B 0.1734 1.1105 0.6731 0.063 Uiso calc R 1 . .
    C C37 0.1388(4) 1.0651(4) 0.8866(2) 0.0847(18) Uani d . 1 . .
    H H37A 0.0874 1.0574 0.9041 0.127 Uiso calc R 1 . .
    H H37B 0.1525 1.1195 0.8866 0.127 Uiso calc R 1 . .
    H H37C 0.1842 1.0368 0.9048 0.127 Uiso calc R 1 . .
    C C38 -0.0110(3) 0.8959(3) 0.74590(16) 0.0562(12) Uani d . 1 . .
    H H38A 0.0147 0.8517 0.7295 0.067 Uiso calc R 1 . .
    H H38B -0.0374 0.8769 0.7767 0.067 Uiso calc R 1 . .
    C C39 0.3264(3) 0.9848(3) 0.7136(2) 0.0659(14) Uani d . 1 . .
    H H39A 0.3848 0.9929 0.7052 0.079 Uiso calc R 1 . .
    H H39B 0.3198 1.0077 0.7478 0.079 Uiso calc R 1 . .
    C C40 0.3107(3) 0.9016(3) 0.71669(15) 0.0518(12) Uani d . 1 . .
    C C41 0.3611(3) 0.8561(3) 0.75290(17) 0.0533(12) Uani d . 1 . .
    H H41 0.4048 0.8769 0.7748 0.064 Uiso calc R 1 . .
    C C42 0.3403(4) 0.7799(3) 0.7530(2) 0.0659(14) Uani d . 1 . .
    H H42 0.3704 0.7472 0.7767 0.079 Uiso calc R 1 . .
    C C43 0.2819(4) 0.7505(3) 0.7224(2) 0.0681(14) Uani d . 1 . .
    H H43 0.2703 0.6975 0.7235 0.082 Uiso calc R 1 . .
    C C44 0.2376(3) 0.7963(3) 0.68903(19) 0.0580(12) Uani d . 1 . .
    H H44 0.1949 0.7736 0.6672 0.070 Uiso calc R 1 . .
    C C45 0.3141(3) 1.0641(3) 0.62974(18) 0.0521(11) Uani d . 1 . .
    H H45A 0.2748 1.0934 0.6064 0.063 Uiso calc R 1 . .
    H H45B 0.3565 1.0999 0.6449 0.063 Uiso calc R 1 . .
    C C46 0.3562(3) 1.0028(3) 0.59936(17) 0.0531(12) Uani d . 1 . .
    H H46A 0.3766 1.0251 0.5676 0.064 Uiso calc R 1 . .
    H H46B 0.4045 0.9817 0.6203 0.064 Uiso calc R 1 . .
    C C47 -0.1190(3) 0.9880(3) 0.7400(2) 0.0661(14) Uani d . 1 . .
    H H47A -0.1793 0.9877 0.7295 0.079 Uiso calc R 1 . .
    H H47B -0.1118 0.9787 0.7775 0.079 Uiso calc R 1 . .
    C C48 -0.0822(3) 1.0617(3) 0.7273(2) 0.0648(14) Uani d . 1 . .
    C C49 -0.0817(4) 1.1174(4) 0.7612(2) 0.0797(16) Uani d . 1 . .
    H H49 -0.1062 1.1092 0.7929 0.096 Uiso calc R 1 . .
    C C50 -0.0450(5) 1.1900(4) 0.7515(3) 0.093(2) Uani d . 1 . .
    H H50 -0.0447 1.2297 0.7764 0.112 Uiso calc R 1 . .
    C C51 -0.0097(4) 1.2008(3) 0.7043(2) 0.0797(17) Uani d . 1 . .
    H H51 0.0154 1.2478 0.6960 0.096 Uiso calc R 1 . .
    C C52 -0.0129(3) 1.1392(3) 0.66983(17) 0.0534(11) Uani d . 1 . .
    H H52 0.0114 1.1456 0.6379 0.064 Uiso calc R 1 . .
    C C53 -0.1375(3) 0.8616(3) 0.69253(18) 0.0573(12) Uani d . 1 . .
    H H53A -0.1719 0.8468 0.7210 0.069 Uiso calc R 1 . .
    H H53B -0.1071 0.8161 0.6816 0.069 Uiso calc R 1 . .
    C C54 -0.1956(3) 0.8950(3) 0.64500(17) 0.0528(12) Uani d . 1 . .
    H H54A -0.2176 0.8524 0.6232 0.063 Uiso calc R 1 . .
    H H54B -0.2436 0.9222 0.6583 0.063 Uiso calc R 1 . .
    C C55 0.0606(3) 0.8243(3) 0.59773(16) 0.0467(11) Uani d . 1 . .
    C C56 0.0501(3) 0.7403(3) 0.5808(2) 0.0573(12) Uani d . 1 . .
    H H56A 0.0821 0.7310 0.5507 0.086 Uiso calc R 1 . .
    H H56B -0.0089 0.7297 0.5719 0.086 Uiso calc R 1 . .
    H H56C 0.0705 0.7068 0.6091 0.086 Uiso calc R 1 . .
    C C57 0.0706(3) 1.0425(3) 0.55888(15) 0.0446(10) Uani d . 1 . .
    C C58 0.0618(3) 1.1012(3) 0.51513(16) 0.0495(11) Uani d . 1 . .
    H H58A 0.0514 1.1516 0.5295 0.074 Uiso calc R 1 . .
    H H58B 0.0150 1.0868 0.4910 0.074 Uiso calc R 1 . .
    H H58C 0.1131 1.1024 0.4970 0.074 Uiso calc R 1 . .
    P P1 0.38834(10) 0.98382(9) 0.25655(6) 0.0690(4) Uani d . 1 . .
    F F1 0.44570(18) 1.02820(16) 0.21986(11) 0.0721(8) Uani d . 1 . .
    F F2 0.46706(18) 0.97125(16) 0.29585(11) 0.0716(8) Uani d . 1 . .
    F F3 0.3359(2) 0.9371(2) 0.29229(12) 0.0861(9) Uani d . 1 . .
    F F4 0.3094(2) 0.99697(18) 0.21814(13) 0.0842(9) Uani d . 1 . .
    F F5 0.41148(18) 0.90714(16) 0.22714(11) 0.0710(8) Uani d . 1 . .
    F F6 0.3649(2) 1.05971(18) 0.28480(12) 0.0849(9) Uani d . 1 . .
    P P2 0.92703(10) 0.65001(9) 0.42341(6) 0.0701(4) Uani d U 1 . .
    F F7 0.96839(18) 0.70076(15) 0.46255(12) 0.0700(8) Uani d . 1 . .
    F F8 0.97736(18) 0.58069(16) 0.43800(11) 0.0697(8) Uani d . 1 . .
    F F9 0.88030(19) 0.61357(17) 0.37770(12) 0.0737(8) Uani d U 1 . .
    F F10 0.87439(19) 0.72389(17) 0.40607(12) 0.0762(8) Uani d . 1 . .
    F F11 0.99782(18) 0.67458(16) 0.38628(12) 0.0731(8) Uani d . 1 . .
    F F12 0.85898(19) 0.62638(18) 0.46113(12) 0.0797(8) Uani d U 1 . .
    O O15 0.7575(2) 0.9793(2) 0.51634(14) 0.0543(8) Uani d . 1 . .
    H H15A 0.758(3) 1.008(3) 0.544(2) 0.065 Uiso d . 1 . .
    H H15B 0.733(3) 1.003(3) 0.492(2) 0.065 Uiso d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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 O4 . 1.986(3) ?
    Ni1 O1 . 2.007(2) ?
    Ni1 O6 . 2.078(3) ?
    Ni1 N3 . 2.089(3) ?
    Ni1 N1 . 2.112(3) ?
    Ni1 O2 . 2.159(3) ?
    Ni2 O1 . 2.000(2) ?
    Ni2 O7 . 2.058(3) ?
    Ni2 N4 . 2.068(3) ?
    Ni2 O5 . 2.091(2) ?
    Ni2 N2 . 2.119(3) ?
    Ni2 O3 . 2.142(3) ?
    N1 C10 . 1.489(5) ?
    N1 C7 . 1.490(4) ?
    N1 C16 . 1.518(5) ?
    N2 C18 . 1.450(5) ?
    N2 C24 . 1.458(5) ?
    N2 C9 . 1.492(5) ?
    N3 C11 . 1.317(4) ?
    N3 C15 . 1.325(5) ?
    N4 C23 . 1.326(5) ?
    N4 C19 . 1.358(5) ?
    O1 C1 . 1.285(4) ?
    O2 C17 . 1.395(5) ?
    O2 H2 . 0.76(4) ?
    O3 C25 . 1.415(5) ?
    O3 H3 . 0.84(4) ?
    O4 C28 . 1.221(4) ?
    O5 C28 . 1.238(4) ?
    O6 C26 . 1.233(4) ?
    O7 C26 . 1.266(4) ?
    C1 C6 . 1.406(5) ?
    C1 C2 . 1.432(5) ?
    C2 C3 . 1.355(6) ?
    C2 C9 . 1.506(5) ?
    C3 C4 . 1.353(6) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.390(6) ?
    C4 C8 . 1.486(6) ?
    C5 C6 . 1.357(6) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.486(6) ?
    C7 H7A . 0.9700 ?
    C7 H7B . 0.9700 ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 C11 . 1.449(5) ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C11 C12 . 1.322(5) ?
    C12 C13 . 1.378(7) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.336(7) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.363(6) ?
    C14 H14 . 0.9300 ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.489(6) ?
    C16 H16A . 0.9700 ?
    C16 H16B . 0.9700 ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C18 C19 . 1.492(5) ?
    C18 H18A . 0.9700 ?
    C18 H18B . 0.9700 ?
    C19 C20 . 1.338(5) ?
    C20 C21 . 1.354(7) ?
    C20 H20 . 0.9300 ?
    C21 C22 . 1.357(7) ?
    C21 H21 . 0.9300 ?
    C22 C23 . 1.355(6) ?
    C22 H22 . 0.9300 ?
    C23 H23 . 0.9300 ?
    C24 C25 . 1.527(5) ?
    C24 H24A . 0.9700 ?
    C24 H24B . 0.9700 ?
    C25 H25A . 0.9700 ?
    C25 H25B . 0.9700 ?
    C26 C27 . 1.492(5) ?
    C27 H27A . 0.9600 ?
    C27 H27C . 0.9600 ?
    C27 H27B . 0.9600 ?
    C28 C29 . 1.489(5) ?
    C29 H29A . 0.9600 ?
    C29 H29B . 0.9600 ?
    C29 H29C . 0.9600 ?
    Ni3 O8 . 1.979(3) ?
    Ni3 O13 . 2.029(3) ?
    Ni3 N7 . 2.051(3) ?
    Ni3 O11 . 2.079(3) ?
    Ni3 O9 . 2.121(3) ?
    Ni3 N5 . 2.123(3) ?
    Ni4 O8 . 1.983(3) ?
    Ni4 O12 . 1.987(3) ?
    Ni4 N6 . 2.041(3) ?
    Ni4 N8 . 2.060(3) ?
    Ni4 O14 . 2.074(3) ?
    Ni4 O10 . 2.124(3) ?
    O8 C30 . 1.300(5) ?
    O9 C46 . 1.464(5) ?
    O9 H9 . 0.80(4) ?
    O10 C54 . 1.383(5) ?
    O10 H10 . 0.81(5) ?
    O11 C57 . 1.210(5) ?
    O12 C57 . 1.255(5) ?
    O13 C55 . 1.242(5) ?
    O14 C55 . 1.244(5) ?
    N5 C45 . 1.495(5) ?
    N5 C36 . 1.513(5) ?
    N5 C39 . 1.547(6) ?
    N6 C38 . 1.396(6) ?
    N6 C47 . 1.500(6) ?
    N6 C53 . 1.546(5) ?
    N7 C44 . 1.299(6) ?
    N7 C40 . 1.334(5) ?
    N8 C52 . 1.354(6) ?
    N8 C48 . 1.361(6) ?
    C30 C35 . 1.388(7) ?
    C30 C31 . 1.439(7) ?
    C31 C32 . 1.366(7) ?
    C31 C36 . 1.493(7) ?
    C32 C33 . 1.407(8) ?
    C32 H32 . 0.9300 ?
    C33 C34 . 1.382(8) ?
    C33 C37 . 1.521(7) ?
    C34 C35 . 1.295(7) ?
    C34 H34 . 0.9300 ?
    C35 C38 . 1.559(7) ?
    C36 H36A . 0.9700 ?
    C36 H36B . 0.9700 ?
    C37 H37A . 0.9600 ?
    C37 H37B . 0.9600 ?
    C37 H37C . 0.9600 ?
    C38 H38A . 0.9700 ?
    C38 H38B . 0.9700 ?
    C39 C40 . 1.454(7) ?
    C39 H39A . 0.9700 ?
    C39 H39B . 0.9700 ?
    C40 C41 . 1.413(6) ?
    C41 C42 . 1.351(7) ?
    C41 H41 . 0.9300 ?
    C42 C43 . 1.272(7) ?
    C42 H42 . 0.9300 ?
    C43 C44 . 1.324(6) ?
    C43 H43 . 0.9300 ?
    C44 H44 . 0.9300 ?
    C45 C46 . 1.491(6) ?
    C45 H45A . 0.9700 ?
    C45 H45B . 0.9700 ?
    C46 H46A . 0.9700 ?
    C46 H46B . 0.9700 ?
    C47 C48 . 1.440(7) ?
    C47 H47A . 0.9700 ?
    C47 H47B . 0.9700 ?
    C48 C49 . 1.290(7) ?
    C49 C50 . 1.405(8) ?
    C49 H49 . 0.9300 ?
    C50 C51 . 1.375(8) ?
    C50 H50 . 0.9300 ?
    C51 C52 . 1.375(7) ?
    C51 H51 . 0.9300 ?
    C52 H52 . 0.9300 ?
    C53 C54 . 1.578(6) ?
    C53 H53A . 0.9700 ?
    C53 H53B . 0.9700 ?
    C54 H54A . 0.9700 ?
    C54 H54B . 0.9700 ?
    C55 C56 . 1.513(6) ?
    C56 H56A . 0.9600 ?
    C56 H56B . 0.9600 ?
    C56 H56C . 0.9600 ?
    C57 C58 . 1.504(6) ?
    C58 H58A . 0.9600 ?
    C58 H58B . 0.9600 ?
    C58 H58C . 0.9600 ?
    P1 F3 . 1.505(3) ?
    P1 F1 . 1.547(3) ?
    P1 F6 . 1.547(3) ?
    P1 F4 . 1.547(4) ?
    P1 F2 . 1.557(3) ?
    P1 F5 . 1.572(3) ?
    P2 F7 . 1.447(3) ?
    P2 F8 . 1.466(3) ?
    P2 F9 . 1.476(3) ?
    P2 F12 . 1.544(3) ?
    P2 F10 . 1.565(3) ?
    P2 F11 . 1.571(3) ?
    O15 H15A . 0.85(5) ?
    O15 H15B . 0.82(5) ?
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
    O4 Ni1 O1 . . 96.93(11) ?
    O4 Ni1 O6 . . 93.29(11) ?
    O1 Ni1 O6 . . 88.79(10) ?
    O4 Ni1 N3 . . 93.73(11) ?
    O1 Ni1 N3 . . 91.37(10) ?
    O6 Ni1 N3 . . 172.90(11) ?
    O4 Ni1 N1 . . 167.49(11) ?
    O1 Ni1 N1 . . 93.54(11) ?
    O6 Ni1 N1 . . 93.74(11) ?
    N3 Ni1 N1 . . 79.17(12) ?
    O4 Ni1 O2 . . 91.60(11) ?
    O1 Ni1 O2 . . 169.49(11) ?
    O6 Ni1 O2 . . 84.60(11) ?
    N3 Ni1 O2 . . 94.19(11) ?
    N1 Ni1 O2 . . 78.78(11) ?
    O1 Ni2 O7 . . 95.89(10) ?
    O1 Ni2 N4 . . 93.86(11) ?
    O7 Ni2 N4 . . 91.00(12) ?
    O1 Ni2 O5 . . 93.70(10) ?
    O7 Ni2 O5 . . 89.50(11) ?
    N4 Ni2 O5 . . 172.33(11) ?
    O1 Ni2 N2 . . 91.87(11) ?
    O7 Ni2 N2 . . 169.39(11) ?
    N4 Ni2 N2 . . 81.24(13) ?
    O5 Ni2 N2 . . 97.23(12) ?
    O1 Ni2 O3 . . 168.01(11) ?
    O7 Ni2 O3 . . 95.08(10) ?
    N4 Ni2 O3 . . 90.76(11) ?
    O5 Ni2 O3 . . 81.57(10) ?
    N2 Ni2 O3 . . 77.90(11) ?
    C10 N1 C7 . . 111.6(3) ?
    C10 N1 C16 . . 109.9(3) ?
    C7 N1 C16 . . 112.7(3) ?
    C10 N1 Ni1 . . 111.3(2) ?
    C7 N1 Ni1 . . 106.6(2) ?
    C16 N1 Ni1 . . 104.5(2) ?
    C18 N2 C24 . . 111.8(3) ?
    C18 N2 C9 . . 109.9(3) ?
    C24 N2 C9 . . 112.0(3) ?
    C18 N2 Ni2 . . 110.0(2) ?
    C24 N2 Ni2 . . 104.3(2) ?
    C9 N2 Ni2 . . 108.5(2) ?
    C11 N3 C15 . . 118.4(3) ?
    C11 N3 Ni1 . . 116.2(2) ?
    C15 N3 Ni1 . . 125.3(3) ?
    C23 N4 C19 . . 117.0(3) ?
    C23 N4 Ni2 . . 127.3(3) ?
    C19 N4 Ni2 . . 115.7(3) ?
    C1 O1 Ni2 . . 124.0(2) ?
    C1 O1 Ni1 . . 119.6(2) ?
    Ni2 O1 Ni1 . . 116.40(12) ?
    C17 O2 Ni1 . . 113.3(2) ?
    C17 O2 H2 . . 107(4) ?
    Ni1 O2 H2 . . 109(4) ?
    C25 O3 Ni2 . . 114.5(2) ?
    C25 O3 H3 . . 113(3) ?
    Ni2 O3 H3 . . 102(3) ?
    C28 O4 Ni1 . . 135.8(3) ?
    C28 O5 Ni2 . . 129.3(3) ?
    C26 O6 Ni1 . . 133.3(3) ?
    C26 O7 Ni2 . . 130.1(2) ?
    O1 C1 C6 . . 123.5(4) ?
    O1 C1 C2 . . 120.9(3) ?
    C6 C1 C2 . . 115.5(4) ?
    C3 C2 C1 . . 121.7(4) ?
    C3 C2 C9 . . 122.1(4) ?
    C1 C2 C9 . . 116.3(3) ?
    C2 C3 C4 . . 123.0(4) ?
    C2 C3 H3A . . 118.5 ?
    C4 C3 H3A . . 118.5 ?
    C3 C4 C5 . . 115.2(4) ?
    C3 C4 C8 . . 123.8(4) ?
    C5 C4 C8 . . 121.0(4) ?
    C6 C5 C4 . . 125.4(4) ?
    C6 C5 H5 . . 117.3 ?
    C4 C5 H5 . . 117.3 ?
    C5 C6 C1 . . 119.1(4) ?
    C5 C6 C7 . . 124.5(4) ?
    C1 C6 C7 . . 116.3(4) ?
    C6 C7 N1 . . 113.0(3) ?
    C6 C7 H7A . . 109.0 ?
    N1 C7 H7A . . 109.0 ?
    C6 C7 H7B . . 109.0 ?
    N1 C7 H7B . . 109.0 ?
    H7A C7 H7B . . 107.8 ?
    C4 C8 H8A . . 109.5 ?
    C4 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    C4 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    N2 C9 C2 . . 115.7(3) ?
    N2 C9 H9A . . 108.3 ?
    C2 C9 H9A . . 108.3 ?
    N2 C9 H9B . . 108.4 ?
    C2 C9 H9B . . 108.4 ?
    H9A C9 H9B . . 107.4 ?
    C11 C10 N1 . . 112.6(3) ?
    C11 C10 H10A . . 109.1 ?
    N1 C10 H10A . . 109.1 ?
    C11 C10 H10B . . 109.1 ?
    N1 C10 H10B . . 109.1 ?
    H10A C10 H10B . . 107.8 ?
    N3 C11 C12 . . 121.8(3) ?
    N3 C11 C10 . . 118.6(3) ?
    C12 C11 C10 . . 119.5(4) ?
    C11 C12 C13 . . 118.9(4) ?
    C11 C12 H12 . . 120.5 ?
    C13 C12 H12 . . 120.5 ?
    C14 C13 C12 . . 121.1(5) ?
    C14 C13 H13 . . 119.4 ?
    C12 C13 H13 . . 119.4 ?
    C13 C14 C15 . . 116.0(4) ?
    C13 C14 H14 . . 122.0 ?
    C15 C14 H14 . . 122.0 ?
    N3 C15 C14 . . 123.6(4) ?
    N3 C15 H15 . . 118.2 ?
    C14 C15 H15 . . 118.2 ?
    C17 C16 N1 . . 109.6(3) ?
    C17 C16 H16A . . 109.8 ?
    N1 C16 H16A . . 109.8 ?
    C17 C16 H16B . . 109.8 ?
    N1 C16 H16B . . 109.8 ?
    H16A C16 H16B . . 108.2 ?
    O2 C17 C16 . . 111.9(3) ?
    O2 C17 H17A . . 109.2 ?
    C16 C17 H17A . . 109.2 ?
    O2 C17 H17B . . 109.2 ?
    C16 C17 H17B . . 109.2 ?
    H17A C17 H17B . . 107.9 ?
    N2 C18 C19 . . 115.9(3) ?
    N2 C18 H18A . . 108.3 ?
    C19 C18 H18A . . 108.3 ?
    N2 C18 H18B . . 108.3 ?
    C19 C18 H18B . . 108.3 ?
    H18A C18 H18B . . 107.4 ?
    C20 C19 N4 . . 122.0(4) ?
    C20 C19 C18 . . 122.2(4) ?
    N4 C19 C18 . . 115.7(3) ?
    C19 C20 C21 . . 119.8(4) ?
    C19 C20 H20 . . 120.1 ?
    C21 C20 H20 . . 120.1 ?
    C20 C21 C22 . . 119.4(4) ?
    C20 C21 H21 . . 120.3 ?
    C22 C21 H21 . . 120.3 ?
    C23 C22 C21 . . 118.5(5) ?
    C23 C22 H22 . . 120.7 ?
    C21 C22 H22 . . 120.7 ?
    N4 C23 C22 . . 123.2(4) ?
    N4 C23 H23 . . 118.4 ?
    C22 C23 H23 . . 118.4 ?
    N2 C24 C25 . . 111.4(3) ?
    N2 C24 H24A . . 109.3 ?
    C25 C24 H24A . . 109.3 ?
    N2 C24 H24B . . 109.3 ?
    C25 C24 H24B . . 109.3 ?
    H24A C24 H24B . . 108.0 ?
    O3 C25 C24 . . 109.1(3) ?
    O3 C25 H25A . . 109.9 ?
    C24 C25 H25A . . 109.9 ?
    O3 C25 H25B . . 109.9 ?
    C24 C25 H25B . . 109.9 ?
    H25A C25 H25B . . 108.3 ?
    O6 C26 O7 . . 124.2(4) ?
    O6 C26 C27 . . 118.5(4) ?
    O7 C26 C27 . . 117.2(3) ?
    C26 C27 H27A . . 109.5 ?
    C26 C27 H27C . . 109.5 ?
    H27A C27 H27C . . 109.5 ?
    C26 C27 H27B . . 109.5 ?
    H27A C27 H27B . . 109.5 ?
    H27C C27 H27B . . 109.5 ?
    O4 C28 O5 . . 126.8(4) ?
    O4 C28 C29 . . 117.0(3) ?
    O5 C28 C29 . . 116.0(4) ?
    C28 C29 H29A . . 109.5 ?
    C28 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    C28 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
    O8 Ni3 O13 . . 96.61(11) ?
    O8 Ni3 N7 . . 94.24(12) ?
    O13 Ni3 N7 . . 92.22(13) ?
    O8 Ni3 O11 . . 93.21(10) ?
    O13 Ni3 O11 . . 89.51(12) ?
    N7 Ni3 O11 . . 172.11(12) ?
    O8 Ni3 O9 . . 170.19(11) ?
    O13 Ni3 O9 . . 92.44(11) ?
    N7 Ni3 O9 . . 89.18(12) ?
    O11 Ni3 O9 . . 83.06(11) ?
    O8 Ni3 N5 . . 91.19(11) ?
    O13 Ni3 N5 . . 170.59(12) ?
    N7 Ni3 N5 . . 81.93(14) ?
    O11 Ni3 N5 . . 95.32(13) ?
    O9 Ni3 N5 . . 80.17(12) ?
    O8 Ni4 O12 . . 95.53(11) ?
    O8 Ni4 N6 . . 93.50(13) ?
    O12 Ni4 N6 . . 167.31(14) ?
    O8 Ni4 N8 . . 90.69(12) ?
    O12 Ni4 N8 . . 91.20(14) ?
    N6 Ni4 N8 . . 79.77(15) ?
    O8 Ni4 O14 . . 87.86(11) ?
    O12 Ni4 O14 . . 97.18(12) ?
    N6 Ni4 O14 . . 92.04(14) ?
    N8 Ni4 O14 . . 171.59(14) ?
    O8 Ni4 O10 . . 170.31(11) ?
    O12 Ni4 O10 . . 92.25(12) ?
    N6 Ni4 O10 . . 79.77(14) ?
    N8 Ni4 O10 . . 94.92(14) ?
    O14 Ni4 O10 . . 85.44(12) ?
    C30 O8 Ni3 . . 123.9(3) ?
    C30 O8 Ni4 . . 118.0(2) ?
    Ni3 O8 Ni4 . . 117.73(13) ?
    C46 O9 Ni3 . . 112.5(2) ?
    C46 O9 H9 . . 111(3) ?
    Ni3 O9 H9 . . 108(3) ?
    C54 O10 Ni4 . . 114.6(3) ?
    C54 O10 H10 . . 105(4) ?
    Ni4 O10 H10 . . 111(4) ?
    C57 O11 Ni3 . . 133.1(3) ?
    C57 O12 Ni4 . . 136.3(3) ?
    C55 O13 Ni3 . . 129.1(3) ?
    C55 O14 Ni4 . . 131.9(3) ?
    C45 N5 C36 . . 111.7(3) ?
    C45 N5 C39 . . 112.8(3) ?
    C36 N5 C39 . . 110.4(3) ?
    C45 N5 Ni3 . . 103.1(2) ?
    C36 N5 Ni3 . . 110.0(2) ?
    C39 N5 Ni3 . . 108.5(3) ?
    C38 N6 C47 . . 106.7(4) ?
    C38 N6 C53 . . 110.0(4) ?
    C47 N6 C53 . . 110.0(3) ?
    C38 N6 Ni4 . . 110.7(3) ?
    C47 N6 Ni4 . . 113.8(3) ?
    C53 N6 Ni4 . . 105.7(3) ?
    C44 N7 C40 . . 116.2(4) ?
    C44 N7 Ni3 . . 127.2(3) ?
    C40 N7 Ni3 . . 116.6(3) ?
    C52 N8 C48 . . 116.8(4) ?
    C52 N8 Ni4 . . 125.8(3) ?
    C48 N8 Ni4 . . 113.6(3) ?
    O8 C30 C35 . . 119.7(4) ?
    O8 C30 C31 . . 121.5(4) ?
    C35 C30 C31 . . 118.8(4) ?
    C32 C31 C30 . . 118.9(5) ?
    C32 C31 C36 . . 123.4(5) ?
    C30 C31 C36 . . 117.6(4) ?
    C31 C32 C33 . . 120.7(5) ?
    C31 C32 H32 . . 119.6 ?
    C33 C32 H32 . . 119.6 ?
    C34 C33 C32 . . 116.5(5) ?
    C34 C33 C37 . . 126.1(6) ?
    C32 C33 C37 . . 117.4(6) ?
    C35 C34 C33 . . 125.5(5) ?
    C35 C34 H34 . . 117.3 ?
    C33 C34 H34 . . 117.3 ?
    C34 C35 C30 . . 119.5(5) ?
    C34 C35 C38 . . 121.9(5) ?
    C30 C35 C38 . . 117.9(4) ?
    C31 C36 N5 . . 111.4(4) ?
    C31 C36 H36A . . 109.3 ?
    N5 C36 H36A . . 109.3 ?
    C31 C36 H36B . . 109.3 ?
    N5 C36 H36B . . 109.3 ?
    H36A C36 H36B . . 108.0 ?
    C33 C37 H37A . . 109.5 ?
    C33 C37 H37B . . 109.5 ?
    H37A C37 H37B . . 109.5 ?
    C33 C37 H37C . . 109.5 ?
    H37A C37 H37C . . 109.5 ?
    H37B C37 H37C . . 109.5 ?
    N6 C38 C35 . . 114.8(4) ?
    N6 C38 H38A . . 108.6 ?
    C35 C38 H38A . . 108.6 ?
    N6 C38 H38B . . 108.6 ?
    C35 C38 H38B . . 108.6 ?
    H38A C38 H38B . . 107.5 ?
    C40 C39 N5 . . 114.3(4) ?
    C40 C39 H39A . . 108.7 ?
    N5 C39 H39A . . 108.7 ?
    C40 C39 H39B . . 108.7 ?
    N5 C39 H39B . . 108.7 ?
    H39A C39 H39B . . 107.6 ?
    N7 C40 C41 . . 122.1(5) ?
    N7 C40 C39 . . 118.5(4) ?
    C41 C40 C39 . . 119.3(4) ?
    C42 C41 C40 . . 114.4(4) ?
    C42 C41 H41 . . 122.8 ?
    C40 C41 H41 . . 122.8 ?
    C43 C42 C41 . . 123.3(5) ?
    C43 C42 H42 . . 118.3 ?
    C41 C42 H42 . . 118.3 ?
    C42 C43 C44 . . 119.2(6) ?
    C42 C43 H43 . . 120.4 ?
    C44 C43 H43 . . 120.4 ?
    N7 C44 C43 . . 124.7(5) ?
    N7 C44 H44 . . 117.7 ?
    C43 C44 H44 . . 117.7 ?
    C46 C45 N5 . . 110.2(3) ?
    C46 C45 H45A . . 109.6 ?
    N5 C45 H45A . . 109.6 ?
    C46 C45 H45B . . 109.6 ?
    N5 C45 H45B . . 109.6 ?
    H45A C45 H45B . . 108.1 ?
    O9 C46 C45 . . 109.1(3) ?
    O9 C46 H46A . . 109.9 ?
    C45 C46 H46A . . 109.9 ?
    O9 C46 H46B . . 109.9 ?
    C45 C46 H46B . . 109.9 ?
    H46A C46 H46B . . 108.3 ?
    C48 C47 N6 . . 107.4(4) ?
    C48 C47 H47A . . 110.2 ?
    N6 C47 H47A . . 110.2 ?
    C48 C47 H47B . . 110.2 ?
    N6 C47 H47B . . 110.2 ?
    H47A C47 H47B . . 108.5 ?
    C49 C48 N8 . . 122.4(5) ?
    C49 C48 C47 . . 119.1(5) ?
    N8 C48 C47 . . 118.5(4) ?
    C48 C49 C50 . . 121.7(6) ?
    C48 C49 H49 . . 119.1 ?
    C50 C49 H49 . . 119.1 ?
    C51 C50 C49 . . 118.1(6) ?
    C51 C50 H50 . . 121.0 ?
    C49 C50 H50 . . 121.0 ?
    C52 C51 C50 . . 117.2(5) ?
    C52 C51 H51 . . 121.4 ?
    C50 C51 H51 . . 121.4 ?
    N8 C52 C51 . . 123.8(4) ?
    N8 C52 H52 . . 118.1 ?
    C51 C52 H52 . . 118.1 ?
    N6 C53 C54 . . 107.4(3) ?
    N6 C53 H53A . . 110.2 ?
    C54 C53 H53A . . 110.2 ?
    N6 C53 H53B . . 110.2 ?
    C54 C53 H53B . . 110.2 ?
    H53A C53 H53B . . 108.5 ?
    O10 C54 C53 . . 111.1(3) ?
    O10 C54 H54A . . 109.4 ?
    C53 C54 H54A . . 109.4 ?
    O10 C54 H54B . . 109.4 ?
    C53 C54 H54B . . 109.4 ?
    H54A C54 H54B . . 108.0 ?
    O13 C55 O14 . . 126.9(4) ?
    O13 C55 C56 . . 117.0(4) ?
    O14 C55 C56 . . 115.9(4) ?
    C55 C56 H56A . . 109.5 ?
    C55 C56 H56B . . 109.5 ?
    H56A C56 H56B . . 109.5 ?
    C55 C56 H56C . . 109.5 ?
    H56A C56 H56C . . 109.5 ?
    H56B C56 H56C . . 109.5 ?
    O11 C57 O12 . . 124.1(4) ?
    O11 C57 C58 . . 117.9(4) ?
    O12 C57 C58 . . 118.0(4) ?
    C57 C58 H58A . . 109.5 ?
    C57 C58 H58B . . 109.5 ?
    H58A C58 H58B . . 109.5 ?
    C57 C58 H58C . . 109.5 ?
    H58A C58 H58C . . 109.5 ?
    H58B C58 H58C . . 109.5 ?
    F3 P1 F1 . . 176.9(2) ?
    F3 P1 F6 . . 90.5(2) ?
    F1 P1 F6 . . 91.95(18) ?
    F3 P1 F4 . . 90.5(2) ?
    F1 P1 F4 . . 91.35(19) ?
    F6 P1 F4 . . 87.96(18) ?
    F3 P1 F2 . . 89.04(18) ?
    F1 P1 F2 . . 89.10(17) ?
    F6 P1 F2 . . 91.28(18) ?
    F4 P1 F2 . . 179.1(2) ?
    F3 P1 F5 . . 89.84(18) ?
    F1 P1 F5 . . 87.73(16) ?
    F6 P1 F5 . . 179.2(2) ?
    F4 P1 F5 . . 91.34(17) ?
    F2 P1 F5 . . 89.43(17) ?
    F7 P2 F8 . . 95.96(19) ?
    F7 P2 F9 . . 168.0(2) ?
    F8 P2 F9 . . 95.06(19) ?
    F7 P2 F12 . . 91.63(19) ?
    F8 P2 F12 . . 90.89(18) ?
    F9 P2 F12 . . 92.84(19) ?
    F7 P2 F10 . . 84.92(18) ?
    F8 P2 F10 . . 178.2(2) ?
    F9 P2 F10 . . 83.93(18) ?
    F12 P2 F10 . . 90.66(18) ?
    F7 P2 F11 . . 87.04(18) ?
    F8 P2 F11 . . 88.65(17) ?
    F9 P2 F11 . . 88.58(18) ?
    F12 P2 F11 . . 178.5(2) ?
    F10 P2 F11 . . 89.82(17) ?
    H15A O15 H15B . . 108(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
    O4 Ni1 N1 C10 . . . . -45.4(7) ?
    O1 Ni1 N1 C10 . . . . 101.6(2) ?
    O6 Ni1 N1 C10 . . . . -169.4(2) ?
    N3 Ni1 N1 C10 . . . . 10.9(2) ?
    O2 Ni1 N1 C10 . . . . -85.7(2) ?
    O4 Ni1 N1 C7 . . . . -167.3(5) ?
    O1 Ni1 N1 C7 . . . . -20.4(2) ?
    O6 Ni1 N1 C7 . . . . 68.7(2) ?
    N3 Ni1 N1 C7 . . . . -111.1(2) ?
    O2 Ni1 N1 C7 . . . . 152.4(2) ?
    O4 Ni1 N1 C16 . . . . 73.2(6) ?
    O1 Ni1 N1 C16 . . . . -139.9(2) ?
    O6 Ni1 N1 C16 . . . . -50.9(3) ?
    N3 Ni1 N1 C16 . . . . 129.4(3) ?
    O2 Ni1 N1 C16 . . . . 32.9(2) ?
    O1 Ni2 N2 C18 . . . . 102.7(2) ?
    O7 Ni2 N2 C18 . . . . -34.3(8) ?
    N4 Ni2 N2 C18 . . . . 9.1(2) ?
    O5 Ni2 N2 C18 . . . . -163.3(2) ?
    O3 Ni2 N2 C18 . . . . -83.6(2) ?
    O1 Ni2 N2 C24 . . . . -137.2(2) ?
    O7 Ni2 N2 C24 . . . . 85.8(7) ?
    N4 Ni2 N2 C24 . . . . 129.2(2) ?
    O5 Ni2 N2 C24 . . . . -43.2(2) ?
    O3 Ni2 N2 C24 . . . . 36.5(2) ?
    O1 Ni2 N2 C9 . . . . -17.6(2) ?
    O7 Ni2 N2 C9 . . . . -154.7(6) ?
    N4 Ni2 N2 C9 . . . . -111.3(2) ?
    O5 Ni2 N2 C9 . . . . 76.3(2) ?
    O3 Ni2 N2 C9 . . . . 156.1(3) ?
    O4 Ni1 N3 C11 . . . . 165.9(2) ?
    O1 Ni1 N3 C11 . . . . -97.1(2) ?
    N1 Ni1 N3 C11 . . . . -3.7(2) ?
    O2 Ni1 N3 C11 . . . . 74.0(2) ?
    O4 Ni1 N3 C15 . . . . -18.4(3) ?
    O1 Ni1 N3 C15 . . . . 78.6(3) ?
    N1 Ni1 N3 C15 . . . . 172.0(3) ?
    O2 Ni1 N3 C15 . . . . -110.3(3) ?
    O1 Ni2 N4 C23 . . . . 83.6(3) ?
    O7 Ni2 N4 C23 . . . . -12.4(3) ?
    N2 Ni2 N4 C23 . . . . 174.9(4) ?
    O3 Ni2 N4 C23 . . . . -107.5(3) ?
    O1 Ni2 N4 C19 . . . . -95.2(2) ?
    O7 Ni2 N4 C19 . . . . 168.8(2) ?
    N2 Ni2 N4 C19 . . . . -3.9(2) ?
    O3 Ni2 N4 C19 . . . . 73.7(2) ?
    O7 Ni2 O1 C1 . . . . 138.9(3) ?
    N4 Ni2 O1 C1 . . . . 47.5(3) ?
    O5 Ni2 O1 C1 . . . . -131.2(3) ?
    N2 Ni2 O1 C1 . . . . -33.8(3) ?
    O3 Ni2 O1 C1 . . . . -64.9(6) ?
    O7 Ni2 O1 Ni1 . . . . -41.94(15) ?
    N4 Ni2 O1 Ni1 . . . . -133.35(15) ?
    O5 Ni2 O1 Ni1 . . . . 47.94(15) ?
    N2 Ni2 O1 Ni1 . . . . 145.31(15) ?
    O3 Ni2 O1 Ni1 . . . . 114.2(5) ?
    O4 Ni1 O1 C1 . . . . 142.1(3) ?
    O6 Ni1 O1 C1 . . . . -124.7(3) ?
    N3 Ni1 O1 C1 . . . . 48.2(3) ?
    N1 Ni1 O1 C1 . . . . -31.1(3) ?
    O2 Ni1 O1 C1 . . . . -73.8(7) ?
    O4 Ni1 O1 Ni2 . . . . -37.06(15) ?
    O6 Ni1 O1 Ni2 . . . . 56.11(14) ?
    N3 Ni1 O1 Ni2 . . . . -130.99(15) ?
    N1 Ni1 O1 Ni2 . . . . 149.78(14) ?
    O2 Ni1 O1 Ni2 . . . . 107.1(6) ?
    O4 Ni1 O2 C17 . . . . 176.0(3) ?
    O1 Ni1 O2 C17 . . . . 31.6(7) ?
    O6 Ni1 O2 C17 . . . . 82.8(3) ?
    N3 Ni1 O2 C17 . . . . -90.2(3) ?
    N1 Ni1 O2 C17 . . . . -12.1(3) ?
    O1 Ni2 O3 C25 . . . . 14.3(6) ?
    O7 Ni2 O3 C25 . . . . 170.5(3) ?
    N4 Ni2 O3 C25 . . . . -98.5(3) ?
    O5 Ni2 O3 C25 . . . . 81.7(3) ?
    N2 Ni2 O3 C25 . . . . -17.6(3) ?
    O1 Ni1 O4 C28 . . . . 0.6(4) ?
    O6 Ni1 O4 C28 . . . . -88.5(4) ?
    N3 Ni1 O4 C28 . . . . 92.5(4) ?
    N1 Ni1 O4 C28 . . . . 147.4(5) ?
    O2 Ni1 O4 C28 . . . . -173.2(4) ?
    O1 Ni2 O5 C28 . . . . -38.6(3) ?
    O7 Ni2 O5 C28 . . . . 57.3(3) ?
    N2 Ni2 O5 C28 . . . . -130.9(3) ?
    O3 Ni2 O5 C28 . . . . 152.5(3) ?
    O4 Ni1 O6 C26 . . . . 52.6(3) ?
    O1 Ni1 O6 C26 . . . . -44.2(3) ?
    N1 Ni1 O6 C26 . . . . -137.7(3) ?
    O2 Ni1 O6 C26 . . . . 143.9(3) ?
    O1 Ni2 O7 C26 . . . . -7.2(3) ?
    N4 Ni2 O7 C26 . . . . 86.8(3) ?
    O5 Ni2 O7 C26 . . . . -100.8(3) ?
    N2 Ni2 O7 C26 . . . . 129.6(6) ?
    O3 Ni2 O7 C26 . . . . 177.7(3) ?
    Ni2 O1 C1 C6 . . . . -135.8(3) ?
    Ni1 O1 C1 C6 . . . . 45.1(4) ?
    Ni2 O1 C1 C2 . . . . 45.9(4) ?
    Ni1 O1 C1 C2 . . . . -133.2(3) ?
    O1 C1 C2 C3 . . . . -178.3(4) ?
    C6 C1 C2 C3 . . . . 3.3(5) ?
    O1 C1 C2 C9 . . . . 2.0(5) ?
    C6 C1 C2 C9 . . . . -176.5(3) ?
    C1 C2 C3 C4 . . . . -3.8(6) ?
    C9 C2 C3 C4 . . . . 176.0(4) ?
    C2 C3 C4 C5 . . . . 1.9(6) ?
    C2 C3 C4 C8 . . . . -174.7(4) ?
    C3 C4 C5 C6 . . . . 0.2(6) ?
    C8 C4 C5 C6 . . . . 176.9(4) ?
    C4 C5 C6 C1 . . . . -0.4(6) ?
    C4 C5 C6 C7 . . . . 177.7(4) ?
    O1 C1 C6 C5 . . . . -179.7(3) ?
    C2 C1 C6 C5 . . . . -1.3(5) ?
    O1 C1 C6 C7 . . . . 2.1(5) ?
    C2 C1 C6 C7 . . . . -179.5(3) ?
    C5 C6 C7 N1 . . . . 115.3(4) ?
    C1 C6 C7 N1 . . . . -66.6(4) ?
    C10 N1 C7 C6 . . . . -55.9(4) ?
    C16 N1 C7 C6 . . . . 179.9(3) ?
    Ni1 N1 C7 C6 . . . . 65.9(3) ?
    C18 N2 C9 C2 . . . . -58.2(4) ?
    C24 N2 C9 C2 . . . . 176.8(3) ?
    Ni2 N2 C9 C2 . . . . 62.2(4) ?
    C3 C2 C9 N2 . . . . 117.5(4) ?
    C1 C2 C9 N2 . . . . -62.7(4) ?
    C7 N1 C10 C11 . . . . 102.6(4) ?
    C16 N1 C10 C11 . . . . -131.6(3) ?
    Ni1 N1 C10 C11 . . . . -16.3(4) ?
    C15 N3 C11 C12 . . . . 2.9(5) ?
    Ni1 N3 C11 C12 . . . . 178.9(3) ?
    C15 N3 C11 C10 . . . . 179.1(3) ?
    Ni1 N3 C11 C10 . . . . -4.8(4) ?
    N1 C10 C11 N3 . . . . 14.3(5) ?
    N1 C10 C11 C12 . . . . -169.4(4) ?
    N3 C11 C12 C13 . . . . -3.6(7) ?
    C10 C11 C12 C13 . . . . -179.9(4) ?
    C11 C12 C13 C14 . . . . 2.2(8) ?
    C12 C13 C14 C15 . . . . -0.1(8) ?
    C11 N3 C15 C14 . . . . -0.7(6) ?
    Ni1 N3 C15 C14 . . . . -176.3(3) ?
    C13 C14 C15 N3 . . . . -0.6(7) ?
    C10 N1 C16 C17 . . . . 68.8(4) ?
    C7 N1 C16 C17 . . . . -166.0(3) ?
    Ni1 N1 C16 C17 . . . . -50.7(4) ?
    Ni1 O2 C17 C16 . . . . -13.3(4) ?
    N1 C16 C17 O2 . . . . 43.1(5) ?
    C24 N2 C18 C19 . . . . -128.5(3) ?
    C9 N2 C18 C19 . . . . 106.4(4) ?
    Ni2 N2 C18 C19 . . . . -13.1(4) ?
    C23 N4 C19 C20 . . . . 2.3(5) ?
    Ni2 N4 C19 C20 . . . . -178.8(3) ?
    C23 N4 C19 C18 . . . . 178.9(3) ?
    Ni2 N4 C19 C18 . . . . -2.2(4) ?
    N2 C18 C19 C20 . . . . -172.8(4) ?
    N2 C18 C19 N4 . . . . 10.6(5) ?
    N4 C19 C20 C21 . . . . -2.0(6) ?
    C18 C19 C20 C21 . . . . -178.4(4) ?
    C19 C20 C21 C22 . . . . 1.4(8) ?
    C20 C21 C22 C23 . . . . -1.1(8) ?
    C19 N4 C23 C22 . . . . -2.0(6) ?
    Ni2 N4 C23 C22 . . . . 179.2(4) ?
    C21 C22 C23 N4 . . . . 1.5(8) ?
    C18 N2 C24 C25 . . . . 66.8(4) ?
    C9 N2 C24 C25 . . . . -169.3(3) ?
    Ni2 N2 C24 C25 . . . . -52.1(4) ?
    Ni2 O3 C25 C24 . . . . -5.6(4) ?
    N2 C24 C25 O3 . . . . 38.9(5) ?
    Ni1 O6 C26 O7 . . . . 3.4(6) ?
    Ni1 O6 C26 C27 . . . . -175.3(3) ?
    Ni2 O7 C26 O6 . . . . 29.3(5) ?
    Ni2 O7 C26 C27 . . . . -152.0(3) ?
    Ni1 O4 C28 O5 . . . . 15.7(6) ?
    Ni1 O4 C28 C29 . . . . -168.7(3) ?
    Ni2 O5 C28 O4 . . . . 8.6(6) ?
    Ni2 O5 C28 C29 . . . . -167.1(3) ?
    O13 Ni3 O8 C30 . . . . 144.9(3) ?
    N7 Ni3 O8 C30 . . . . 52.2(4) ?
    O11 Ni3 O8 C30 . . . . -125.2(3) ?
    N5 Ni3 O8 C30 . . . . -29.8(3) ?
    O13 Ni3 O8 Ni4 . . . . -42.25(15) ?
    N7 Ni3 O8 Ni4 . . . . -134.98(15) ?
    O11 Ni3 O8 Ni4 . . . . 47.62(15) ?
    N5 Ni3 O8 Ni4 . . . . 143.02(15) ?
    O12 Ni4 O8 C30 . . . . 132.0(3) ?
    N6 Ni4 O8 C30 . . . . -39.1(3) ?
    N8 Ni4 O8 C30 . . . . 40.7(3) ?
    O14 Ni4 O8 C30 . . . . -131.0(3) ?
    O12 Ni4 O8 Ni3 . . . . -41.25(15) ?
    N6 Ni4 O8 Ni3 . . . . 147.68(16) ?
    N8 Ni4 O8 Ni3 . . . . -132.53(16) ?
    O14 Ni4 O8 Ni3 . . . . 55.76(15) ?
    O13 Ni3 O9 C46 . . . . 176.3(3) ?
    N7 Ni3 O9 C46 . . . . -91.5(3) ?
    O11 Ni3 O9 C46 . . . . 87.1(3) ?
    N5 Ni3 O9 C46 . . . . -9.6(3) ?
    O12 Ni4 O10 C54 . . . . 169.5(3) ?
    N6 Ni4 O10 C54 . . . . -20.4(3) ?
    N8 Ni4 O10 C54 . . . . -99.1(3) ?
    O14 Ni4 O10 C54 . . . . 72.5(3) ?
    O8 Ni3 O11 C57 . . . . -30.1(4) ?
    O13 Ni3 O11 C57 . . . . 66.4(4) ?
    O9 Ni3 O11 C57 . . . . 159.0(4) ?
    N5 Ni3 O11 C57 . . . . -121.6(4) ?
    O8 Ni4 O12 C57 . . . . 6.9(4) ?
    N6 Ni4 O12 C57 . . . . 142.0(6) ?
    N8 Ni4 O12 C57 . . . . 97.7(4) ?
    O14 Ni4 O12 C57 . . . . -81.7(4) ?
    O10 Ni4 O12 C57 . . . . -167.4(4) ?
    O8 Ni3 O13 C55 . . . . -4.0(4) ?
    N7 Ni3 O13 C55 . . . . 90.5(4) ?
    O11 Ni3 O13 C55 . . . . -97.2(4) ?
    O9 Ni3 O13 C55 . . . . 179.8(4) ?
    O8 Ni4 O14 C55 . . . . -46.3(4) ?
    O12 Ni4 O14 C55 . . . . 49.0(4) ?
    N6 Ni4 O14 C55 . . . . -139.7(4) ?
    O10 Ni4 O14 C55 . . . . 140.7(4) ?
    O8 Ni3 N5 C45 . . . . -142.3(3) ?
    N7 Ni3 N5 C45 . . . . 123.6(3) ?
    O11 Ni3 N5 C45 . . . . -48.9(3) ?
    O9 Ni3 N5 C45 . . . . 33.1(3) ?
    O8 Ni3 N5 C36 . . . . -23.0(3) ?
    N7 Ni3 N5 C36 . . . . -117.1(3) ?
    O11 Ni3 N5 C36 . . . . 70.4(3) ?
    O9 Ni3 N5 C36 . . . . 152.3(3) ?
    O8 Ni3 N5 C39 . . . . 97.9(3) ?
    N7 Ni3 N5 C39 . . . . 3.8(3) ?
    O11 Ni3 N5 C39 . . . . -168.8(3) ?
    O9 Ni3 N5 C39 . . . . -86.8(3) ?
    O8 Ni4 N6 C38 . . . . -16.5(3) ?
    O12 Ni4 N6 C38 . . . . -151.8(6) ?
    N8 Ni4 N6 C38 . . . . -106.5(3) ?
    O14 Ni4 N6 C38 . . . . 71.5(3) ?
    O10 Ni4 N6 C38 . . . . 156.5(3) ?
    O8 Ni4 N6 C47 . . . . 103.7(3) ?
    O12 Ni4 N6 C47 . . . . -31.6(8) ?
    N8 Ni4 N6 C47 . . . . 13.6(3) ?
    O14 Ni4 N6 C47 . . . . -168.3(3) ?
    O10 Ni4 N6 C47 . . . . -83.3(3) ?
    O8 Ni4 N6 C53 . . . . -135.5(3) ?
    O12 Ni4 N6 C53 . . . . 89.2(7) ?
    N8 Ni4 N6 C53 . . . . 134.4(3) ?
    O14 Ni4 N6 C53 . . . . -47.5(3) ?
    O10 Ni4 N6 C53 . . . . 37.5(3) ?
    O8 Ni3 N7 C44 . . . . 88.3(4) ?
    O13 Ni3 N7 C44 . . . . -8.5(4) ?
    O9 Ni3 N7 C44 . . . . -100.9(4) ?
    N5 Ni3 N7 C44 . . . . 178.9(4) ?
    O8 Ni3 N7 C40 . . . . -94.4(3) ?
    O13 Ni3 N7 C40 . . . . 168.8(3) ?
    O9 Ni3 N7 C40 . . . . 76.4(3) ?
    N5 Ni3 N7 C40 . . . . -3.8(3) ?
    O8 Ni4 N8 C52 . . . . 65.7(4) ?
    O12 Ni4 N8 C52 . . . . -29.9(4) ?
    N6 Ni4 N8 C52 . . . . 159.1(4) ?
    O10 Ni4 N8 C52 . . . . -122.3(4) ?
    O8 Ni4 N8 C48 . . . . -91.4(3) ?
    O12 Ni4 N8 C48 . . . . 173.0(3) ?
    N6 Ni4 N8 C48 . . . . 2.0(3) ?
    O10 Ni4 N8 C48 . . . . 80.7(3) ?
    Ni3 O8 C30 C35 . . . . -132.8(4) ?
    Ni4 O8 C30 C35 . . . . 54.4(5) ?
    Ni3 O8 C30 C31 . . . . 45.4(6) ?
    Ni4 O8 C30 C31 . . . . -127.4(4) ?
    O8 C30 C31 C32 . . . . 179.5(4) ?
    C35 C30 C31 C32 . . . . -2.3(7) ?
    O8 C30 C31 C36 . . . . 1.4(6) ?
    C35 C30 C31 C36 . . . . 179.6(4) ?
    C30 C31 C32 C33 . . . . 1.0(7) ?
    C36 C31 C32 C33 . . . . 179.1(5) ?
    C31 C32 C33 C34 . . . . -0.5(8) ?
    C31 C32 C33 C37 . . . . -179.0(5) ?
    C32 C33 C34 C35 . . . . 1.3(8) ?
    C37 C33 C34 C35 . . . . 179.6(5) ?
    C33 C34 C35 C30 . . . . -2.6(8) ?
    C33 C34 C35 C38 . . . . -172.7(5) ?
    O8 C30 C35 C34 . . . . -178.8(4) ?
    C31 C30 C35 C34 . . . . 3.0(7) ?
    O8 C30 C35 C38 . . . . -8.3(7) ?
    C31 C30 C35 C38 . . . . 173.5(4) ?
    C32 C31 C36 N5 . . . . 120.5(5) ?
    C30 C31 C36 N5 . . . . -61.4(5) ?
    C45 N5 C36 C31 . . . . 179.1(3) ?
    C39 N5 C36 C31 . . . . -54.6(4) ?
    Ni3 N5 C36 C31 . . . . 65.2(4) ?
    C47 N6 C38 C35 . . . . -65.0(5) ?
    C53 N6 C38 C35 . . . . 175.8(4) ?
    Ni4 N6 C38 C35 . . . . 59.4(5) ?
    C34 C35 C38 N6 . . . . 113.3(5) ?
    C30 C35 C38 N6 . . . . -57.0(6) ?
    C45 N5 C39 C40 . . . . -117.2(4) ?
    C36 N5 C39 C40 . . . . 117.1(4) ?
    Ni3 N5 C39 C40 . . . . -3.6(5) ?
    C44 N7 C40 C41 . . . . 1.2(6) ?
    Ni3 N7 C40 C41 . . . . -176.4(3) ?
    C44 N7 C40 C39 . . . . -179.6(4) ?
    Ni3 N7 C40 C39 . . . . 2.8(5) ?
    N5 C39 C40 N7 . . . . 0.7(6) ?
    N5 C39 C40 C41 . . . . 179.9(4) ?
    N7 C40 C41 C42 . . . . -1.7(6) ?
    C39 C40 C41 C42 . . . . 179.1(5) ?
    C40 C41 C42 C43 . . . . 1.6(8) ?
    C41 C42 C43 C44 . . . . -1.0(9) ?
    C40 N7 C44 C43 . . . . -0.5(7) ?
    Ni3 N7 C44 C43 . . . . 176.8(4) ?
    C42 C43 C44 N7 . . . . 0.4(8) ?
    C36 N5 C45 C46 . . . . -171.8(3) ?
    C39 N5 C45 C46 . . . . 63.2(4) ?
    Ni3 N5 C45 C46 . . . . -53.7(4) ?
    Ni3 O9 C46 C45 . . . . -17.1(4) ?
    N5 C45 C46 O9 . . . . 47.9(5) ?
    C38 N6 C47 C48 . . . . 96.8(5) ?
    C53 N6 C47 C48 . . . . -144.0(4) ?
    Ni4 N6 C47 C48 . . . . -25.7(5) ?
    C52 N8 C48 C49 . . . . 2.0(7) ?
    Ni4 N8 C48 C49 . . . . 161.3(5) ?
    C52 N8 C48 C47 . . . . -178.0(4) ?
    Ni4 N8 C48 C47 . . . . -18.7(6) ?
    N6 C47 C48 C49 . . . . -151.1(5) ?
    N6 C47 C48 N8 . . . . 28.9(6) ?
    N8 C48 C49 C50 . . . . -1.4(9) ?
    C47 C48 C49 C50 . . . . 178.6(6) ?
    C48 C49 C50 C51 . . . . 0.4(10) ?
    C49 C50 C51 C52 . . . . 0.0(9) ?
    C48 N8 C52 C51 . . . . -1.6(7) ?
    Ni4 N8 C52 C51 . . . . -158.1(4) ?
    C50 C51 C52 N8 . . . . 0.7(9) ?
    C38 N6 C53 C54 . . . . -168.8(4) ?
    C47 N6 C53 C54 . . . . 74.0(4) ?
    Ni4 N6 C53 C54 . . . . -49.2(4) ?
    Ni4 O10 C54 C53 . . . . -3.1(4) ?
    N6 C53 C54 O10 . . . . 34.1(5) ?
    Ni3 O13 C55 O14 . . . . 22.5(7) ?
    Ni3 O13 C55 C56 . . . . -153.2(3) ?
    Ni4 O14 C55 O13 . . . . 9.5(7) ?
    Ni4 O14 C55 C56 . . . . -174.7(3) ?
    Ni3 O11 C57 O12 . . . . 0.3(7) ?
    Ni3 O11 C57 C58 . . . . 178.6(3) ?
    Ni4 O12 C57 O11 . . . . 14.9(7) ?
    Ni4 O12 C57 C58 . . . . -163.4(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O2 H2 O15 . 0.76(4) 2.48(5) 2.956(4) 122(4)
    O3 H3 O13 . 0.84(4) 2.11(4) 2.714(4) 129(4)
    O9 H9 O7 . 0.80(4) 2.04(4) 2.737(4) 145(4)
    O10 H10 O15 1_455 0.81(5) 2.39(5) 2.876(5) 120(4)
    O15 H15A O10 1_655 0.85(5) 2.48(5) 2.876(5) 109(4)
    O15 H15A O5 3_676 0.85(5) 2.58(5) 3.079(4) 118(4)
    O15 H15B O9 3_676 0.82(5) 2.22(5) 3.009(4) 162(5)
    C8 H8C F1 2_645 0.96 2.69 3.466(5) 139
    C10 H10A F12 . 0.97 2.52 3.348(5) 143
    C14 H14 F5 . 0.93 2.48 3.355(6) 158
    C22 H22 F4 4_576 0.93 2.52 3.377(5) 154
    C29 H29B O15 3_676 0.96 2.54 3.209(5) 127
    C34 H34 F11 4_476 0.93 2.66 3.479(6) 148
    C39 H39A F2 3_676 0.97 2.42 3.370(6) 166
    C46 H46A O4 3_676 0.97 2.61 3.373(5) 136
    C47 H47A F4 3_576 0.97 2.54 3.267(6) 132
    C54 H54B F6 3_576 0.97 2.50 3.406(6) 155
    C58 H58A F7 3_676 0.96 2.57 3.491(5) 162
    C58 H58B O12 3_576 0.96 2.56 3.293(5) 133
