##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 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. 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     'from SHELXL-97 with Word'
_journal_date_recd_electronic     2005-06-08
_journal_date_accepted     2005-06-24
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      8
_journal_page_first     m1455
_journal_page_last     m1458
_journal_paper_category     EM
_publ_contact_author_name     'Patrick J. Desrochers'
_publ_contact_author_address
;
Department of Chemistry
University of Central Arkansas
Conway
AR 72035
USA
;
_publ_contact_author_email     patrickd@uca.edu
_publ_contact_author_fax     '501-450-3623'
_publ_contact_author_phone     '501-450-5939'
_publ_section_title
;
Bis[hydrotris(4-chloro-3,5-dimethylpyrazolyl)borato]nickel(II)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Desrochers, Patrick J.' ?
;
Department of Chemistry
University of Central Arkansas
Conway
AR 72035
USA
;
    'Brown, Josh R.' ?
;
Department of Chemistry
University of Central Arkansas
Conway
AR 72035
USA
;
    'Arvin, Michael E.'
;
Permanent address: Department of Chemistry
University of Arizona
Tucson
AZ 85721
USA
;
;
Address for this work?
;
    'Jones, Gavin D.' ?
;
Department of Chemistry and Biochemistry
University of Arkansas
Fayetteville
AR 72701
USA
;
    'Vicic,  David A.' .
;
Department of Chemistry and Biochemistry
University of Arkansas
Fayetteville
AR 72701
USA
;
data_I
_chemical_name_systematic
;
Bis[hydrotris(4-chloro-3,5-dimethylpyrazolyl)borato]nickel(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C30 H38 B2 Cl6 N12 Ni'
_chemical_formula_sum     'C30 H38 B2 Cl6 N12 Ni'
_chemical_formula_structural     '[H B (C5 H6 Cl N2)3 -]2 , Ni 2+'
_chemical_formula_iupac     '[Ni (C15 H19 B Cl3 N6)2]'
_chemical_formula_weight     859.84
_chemical_melting_point     '250'
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     11.10(4)
_cell_length_b     12.38(3)
_cell_length_c     15.88(4)
_cell_angle_alpha     90.08(5)
_cell_angle_beta     102.24(5)
_cell_angle_gamma     113.59(6)
_cell_volume     1945(10)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     360
_cell_measurement_theta_min     1.8037
_cell_measurement_theta_max     34.9698
_cell_measurement_temperature     173(2)
_exptl_crystal_description     'prism'
_exptl_crystal_colour     'violet'
_exptl_crystal_size_max     0.50
_exptl_crystal_size_mid     0.35
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.468
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     884
_exptl_absorpt_coefficient_mu     0.951
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(Jacobson, 1998)'
_exptl_absorpt_correction_T_min     0.656
_exptl_absorpt_correction_T_max     0.909
_exptl_special_details     ?
_diffrn_ambient_temperature     173(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku AFC-8 Mercury'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     26891
_diffrn_reflns_av_R_equivalents     0.0361
_diffrn_reflns_av_sigmaI/netI     0.0433
_diffrn_reflns_theta_min     1.80
_diffrn_reflns_theta_max     28.00
_diffrn_reflns_theta_full     28.00
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_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     9313
_reflns_number_gt     7698
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0628
_refine_ls_R_factor_gt     0.0486
_refine_ls_wR_factor_gt     0.1106
_refine_ls_wR_factor_ref     0.1186
_refine_ls_goodness_of_fit_ref     1.101
_refine_ls_restrained_S_all     1.101
_refine_ls_number_reflns     9313
_refine_ls_number_parameters     484
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0481P)²+1.2406P] 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     0.009
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.509
_refine_diff_density_min     -0.354
_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'
    'B' 'B' 0.0013 0.0007
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         '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'
_computing_data_collection     'CrystalClear (Rigaku, 1999)'
_computing_cell_refinement     'CrystalClear'
_computing_data_reduction     'CrystalStructure (Rigaku/MSC, 2004)'
_computing_structure_solution
;
DIRDIF99 (Beurskens et al., 1999), CRYSTALS (Watkin et al.,
1996) and SHELXS97 (Sheldrick, 1997)
;
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'Please provide missing details'
_computing_publication_material     'CrystalStructure'
loop_
    _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
    _atom_site_type_symbol
    Ni1 1.0000 0.5000 0.5000 0.02102(11) Uani d S 1 . . Ni
    Ni2 0.0000 0.0000 0.0000 0.02246(11) Uani d S 1 . . Ni
    Cl1 0.85712(9) -0.00421(6) 0.40043(5) 0.04350(19) Uani d . 1 . . Cl
    Cl2 0.61532(8) 0.57664(7) 0.20939(5) 0.04357(19) Uani d . 1 . . Cl
    Cl3 1.24899(8) 0.50114(7) 0.20469(4) 0.03983(18) Uani d . 1 . . Cl
    Cl4 -0.41455(10) 0.01266(9) 0.17578(7) 0.0641(3) Uani d . 1 . . Cl
    Cl5 0.23246(8) 0.05197(7) 0.37988(4) 0.03793(17) Uani d . 1 . . Cl
    Cl6 -0.35141(7) -0.51250(6) -0.01132(5) 0.03754(17) Uani d . 1 . . Cl
    N1 0.7787(2) 0.25918(18) 0.46102(13) 0.0241(4) Uani d . 1 . . N
    N2 0.9169(2) 0.31606(17) 0.47517(13) 0.0238(4) Uani d . 1 . . N
    N3 0.8375(2) 0.50502(18) 0.40566(13) 0.0238(4) Uani d . 1 . . N
    N4 0.7111(2) 0.42075(18) 0.40595(13) 0.0240(4) Uani d . 1 . . N
    N5 1.1183(2) 0.52472(18) 0.40935(13) 0.0245(4) Uani d . 1 . . N
    N6 1.2508(2) 0.60339(18) 0.43511(14) 0.0236(4) Uani d . 1 . . N
    N7 -0.2021(2) 0.09992(18) 0.00371(14) 0.0254(4) Uani d . 1 . . N
    N8 -0.1612(2) 0.01546(18) 0.03958(14) 0.0268(5) Uani d . 1 . . N
    N9 0.1056(2) 0.00393(18) 0.12889(13) 0.0251(4) Uani d . 1 . . N
    N10 0.1611(2) -0.07756(18) 0.14459(13) 0.0241(4) Uani d . 1 . . N
    N11 -0.0904(2) -0.18757(18) -0.00570(14) 0.0249(4) Uani d . 1 . . N
    N12 -0.0092(2) -0.24025(17) 0.03593(13) 0.0235(4) Uani d . 1 . . N
    B1 1.3051(3) 0.6706(3) 0.52648(19) 0.0251(6) Uani d . 1 . . B
    B2 -0.1433(3) 0.1663(3) -0.06977(19) 0.0254(6) Uani d . 1 . . B
    C1 0.9625(3) 0.2354(2) 0.45752(16) 0.0264(5) Uani d . 1 . . C
    C2 0.8519(3) 0.1273(2) 0.43111(17) 0.0287(6) Uani d . 1 . . C
    C3 0.7369(3) 0.1435(2) 0.43321(16) 0.0272(5) Uani d . 1 . . C
    C4 1.1086(3) 0.2624(2) 0.46578(19) 0.0333(6) Uani d . 1 . . C
    H4B 1.1622 0.3479 0.4795 0.050 Uiso calc R 1 . . H
    H4C 1.1212 0.2369 0.4111 0.050 Uiso calc R 1 . . H
    H4D 1.1383 0.2203 0.5122 0.050 Uiso calc R 1 . . H
    C5 0.5933(3) 0.0578(3) 0.4083(2) 0.0401(7) Uani d . 1 . . C
    H5A 0.5477 0.0623 0.4539 0.060 Uiso calc R 1 . . H
    H5B 0.5885 -0.0225 0.4005 0.060 Uiso calc R 1 . . H
    H5C 0.5488 0.0771 0.3539 0.060 Uiso calc R 1 . . H
    C6 0.6167(3) 0.4320(2) 0.34172(17) 0.0280(5) Uani d . 1 . . C
    C7 0.6852(3) 0.5257(2) 0.29936(17) 0.0285(5) Uani d . 1 . . C
    C8 0.8222(2) 0.5704(2) 0.34070(16) 0.0236(5) Uani d . 1 . . C
    C9 0.4693(3) 0.3544(3) 0.3246(2) 0.0435(8) Uani d . 1 . . C
    H9A 0.4370 0.3553 0.3773 0.065 Uiso calc R 1 . . H
    H9B 0.4541 0.2733 0.3068 0.065 Uiso calc R 1 . . H
    H9C 0.4200 0.3837 0.2783 0.065 Uiso calc R 1 . . H
    C10 0.9345(3) 0.6742(2) 0.31920(18) 0.0319(6) Uani d . 1 . . C
    H10B 1.0206 0.6683 0.3426 0.048 Uiso calc R 1 . . H
    H10C 0.9369 0.7473 0.3447 0.048 Uiso calc R 1 . . H
    H10D 0.9200 0.6751 0.2562 0.048 Uiso calc R 1 . . H
    C11 1.0993(3) 0.4789(2) 0.32901(16) 0.0260(5) Uani d . 1 . . C
    C12 1.2216(3) 0.5292(2) 0.30360(16) 0.0280(6) Uani d . 1 . . C
    C13 1.3164(3) 0.6068(2) 0.37169(17) 0.0274(5) Uani d . 1 . . C
    C14 0.9672(3) 0.3880(2) 0.27807(17) 0.0327(6) Uani d . 1 . . C
    H14A 0.8982 0.4198 0.2713 0.049 Uiso calc R 1 . . H
    H14B 0.9400 0.3166 0.3087 0.049 Uiso calc R 1 . . H
    H14C 0.9771 0.3683 0.2209 0.049 Uiso calc R 1 . . H
    C15 1.4632(3) 0.6813(3) 0.3788(2) 0.0386(7) Uani d . 1 . . C
    H15A 1.4855 0.7620 0.4022 0.058 Uiso calc R 1 . . H
    H15B 1.4829 0.6830 0.3214 0.058 Uiso calc R 1 . . H
    H15C 1.5175 0.6476 0.4176 0.058 Uiso calc R 1 . . H
    C16 -0.2926(3) 0.1121(2) 0.04381(19) 0.0316(6) Uani d . 1 . . C
    C17 -0.3104(3) 0.0335(3) 0.10535(19) 0.0359(6) Uani d . 1 . . C
    C18 -0.2274(3) -0.0261(2) 0.10143(17) 0.0296(6) Uani d . 1 . . C
    C19 -0.3561(3) 0.1977(3) 0.0225(2) 0.0484(8) Uani d . 1 . . C
    H19A -0.4048 0.1816 -0.0384 0.073 Uiso calc R 1 . . H
    H19B -0.2857 0.2787 0.0328 0.073 Uiso calc R 1 . . H
    H19C -0.4195 0.1890 0.0593 0.073 Uiso calc R 1 . . H
    C20 -0.2141(3) -0.1211(3) 0.1554(2) 0.0406(7) Uani d . 1 . . C
    H20A -0.1471 -0.1452 0.1398 0.061 Uiso calc R 1 . . H
    H20B -0.3016 -0.1895 0.1452 0.061 Uiso calc R 1 . . H
    H20C -0.1849 -0.0911 0.2167 0.061 Uiso calc R 1 . . H
    C21 0.2117(2) -0.0744(2) 0.22987(16) 0.0239(5) Uani d . 1 . . C
    C22 0.1901(3) 0.0124(2) 0.26992(16) 0.0257(5) Uani d . 1 . . C
    C23 0.1242(3) 0.0601(2) 0.20587(16) 0.0259(5) Uani d . 1 . . C
    C24 0.2752(3) -0.1548(2) 0.26858(18) 0.0298(6) Uani d . 1 . . C
    H24A 0.2118 -0.2374 0.2506 0.045 Uiso calc R 1 . . H
    H24B 0.2975 -0.1409 0.3318 0.045 Uiso calc R 1 . . H
    H24C 0.3579 -0.1387 0.2486 0.045 Uiso calc R 1 . . H
    C25 0.0804(3) 0.1572(2) 0.21751(18) 0.0324(6) Uani d . 1 . . C
    H25A 0.0478 0.1793 0.1607 0.049 Uiso calc R 1 . . H
    H25B 0.1570 0.2261 0.2510 0.049 Uiso calc R 1 . . H
    H25C 0.0075 0.1301 0.2484 0.049 Uiso calc R 1 . . H
    C26 -0.2162(3) -0.2714(2) -0.02746(16) 0.0256(5) Uani d . 1 . . C
    C27 -0.2151(3) -0.3776(2) 0.00124(17) 0.0269(5) Uani d . 1 . . C
    C28 -0.0837(3) -0.3555(2) 0.04167(16) 0.0248(5) Uani d . 1 . . C
    C29 -0.3359(3) -0.2507(3) -0.0735(2) 0.0373(7) Uani d . 1 . . C
    H29A -0.3064 -0.1828 -0.1075 0.056 Uiso calc R 1 . . H
    H29B -0.3805 -0.2344 -0.0311 0.056 Uiso calc R 1 . . H
    H29C -0.3995 -0.3213 -0.1122 0.056 Uiso calc R 1 . . H
    C30 -0.0283(3) -0.4362(2) 0.08815(18) 0.0346(6) Uani d . 1 . . C
    H30A 0.0530 -0.4293 0.0695 0.052 Uiso calc R 1 . . H
    H30B -0.0962 -0.5180 0.0749 0.052 Uiso calc R 1 . . H
    H30C -0.0052 -0.4143 0.1506 0.052 Uiso calc R 1 . . H
    H49 1.408(3) 0.729(2) 0.5344(16) 0.018(6) Uiso d . 1 . . H
    H50 -0.192(3) 0.223(2) -0.0920(16) 0.021(6) Uiso d . 1 . . H
_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 N2 2_766 2.086(5) ?
    Ni1 N2 . 2.086(5) ?
    Ni1 N5 . 2.091(5) ?
    Ni1 N5 2_766 2.091(5) ?
    Ni1 N3 . 2.109(5) ?
    Ni1 N3 2_766 2.109(5) ?
    Ni2 N8 2 2.093(6) ?
    Ni2 N8 . 2.093(6) ?
    Ni2 N11 2 2.122(5) ?
    Ni2 N11 . 2.122(5) ?
    Ni2 N9 2 2.123(5) ?
    Ni2 N9 . 2.123(5) ?
    Cl1 C2 . 1.726(4) ?
    Cl2 C7 . 1.722(4) ?
    Cl3 C12 . 1.722(5) ?
    Cl4 C17 . 1.722(5) ?
    Cl5 C22 . 1.725(5) ?
    Cl6 C27 . 1.722(4) ?
    N1 C3 . 1.357(4) ?
    N1 N2 . 1.374(5) ?
    N1 B1 2_766 1.544(5) ?
    N2 C1 . 1.340(4) ?
    N3 C8 . 1.336(4) ?
    N3 N4 . 1.374(5) ?
    N4 C6 . 1.350(4) ?
    N4 B1 2_766 1.545(4) ?
    N5 C11 . 1.335(4) ?
    N5 N6 . 1.369(5) ?
    N6 C13 . 1.354(4) ?
    N6 B1 . 1.545(5) ?
    N7 C16 . 1.352(4) ?
    N7 N8 . 1.377(4) ?
    N7 B2 . 1.536(5) ?
    N8 C18 . 1.333(4) ?
    N9 C23 . 1.341(4) ?
    N9 N10 . 1.375(4) ?
    N10 C21 . 1.346(5) ?
    N10 B2 2 1.543(5) ?
    N11 C26 . 1.335(5) ?
    N11 N12 . 1.376(4) ?
    N12 C28 . 1.348(4) ?
    N12 B2 2 1.538(6) ?
    B1 N1 2_766 1.544(5) ?
    B1 N4 2_766 1.545(4) ?
    B1 H49 . 1.06(3) ?
    B2 N12 2 1.538(6) ?
    B2 N10 2 1.543(5) ?
    B2 H50 . 1.07(2) ?
    C1 C2 . 1.392(5) ?
    C1 C4 . 1.496(6) ?
    C2 C3 . 1.375(6) ?
    C3 C5 . 1.483(6) ?
    C4 H4B . 0.9800 ?
    C4 H4C . 0.9800 ?
    C4 H4D . 0.9800 ?
    C5 H5A . 0.9800 ?
    C5 H5B . 0.9800 ?
    C5 H5C . 0.9800 ?
    C6 C7 . 1.374(4) ?
    C6 C9 . 1.492(6) ?
    C7 C8 . 1.397(6) ?
    C8 C10 . 1.491(5) ?
    C9 H9A . 0.9800 ?
    C9 H9B . 0.9800 ?
    C9 H9C . 0.9800 ?
    C10 H10B . 0.9800 ?
    C10 H10C . 0.9800 ?
    C10 H10D . 0.9800 ?
    C11 C12 . 1.396(5) ?
    C11 C14 . 1.498(5) ?
    C12 C13 . 1.380(5) ?
    C13 C15 . 1.495(6) ?
    C14 H14A . 0.9800 ?
    C14 H14B . 0.9800 ?
    C14 H14C . 0.9800 ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C15 H15C . 0.9800 ?
    C16 C17 . 1.368(5) ?
    C16 C19 . 1.494(5) ?
    C17 C18 . 1.401(5) ?
    C18 C20 . 1.493(5) ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C19 H19C . 0.9800 ?
    C20 H20A . 0.9800 ?
    C20 H20B . 0.9800 ?
    C20 H20C . 0.9800 ?
    C21 C22 . 1.374(4) ?
    C21 C24 . 1.498(4) ?
    C22 C23 . 1.397(4) ?
    C23 C25 . 1.490(4) ?
    C24 H24A . 0.9800 ?
    C24 H24B . 0.9800 ?
    C24 H24C . 0.9800 ?
    C25 H25A . 0.9800 ?
    C25 H25B . 0.9800 ?
    C25 H25C . 0.9800 ?
    C26 C27 . 1.397(4) ?
    C26 C29 . 1.491(5) ?
    C27 C28 . 1.378(6) ?
    C28 C30 . 1.490(4) ?
    C29 H29A . 0.9800 ?
    C29 H29B . 0.9800 ?
    C29 H29C . 0.9800 ?
    C30 H30A . 0.9800 ?
    C30 H30B . 0.9800 ?
    C30 H30C . 0.9800 ?
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
    N2 Ni1 N2 2_766 . 180.0 ?
    N2 Ni1 N5 2_766 . 87.27(11) ?
    N2 Ni1 N5 . . 92.73(11) ?
    N2 Ni1 N5 2_766 2_766 92.73(11) ?
    N2 Ni1 N5 . 2_766 87.27(11) ?
    N5 Ni1 N5 . 2_766 180.0000(10)
                                 ?
    N2 Ni1 N3 2_766 . 90.58(13) ?
    N2 Ni1 N3 . . 89.42(13) ?
    N5 Ni1 N3 . . 91.8(3) ?
    N5 Ni1 N3 2_766 . 88.2(3) ?
    N2 Ni1 N3 2_766 2_766 89.42(13) ?
    N2 Ni1 N3 . 2_766 90.58(13) ?
    N5 Ni1 N3 . 2_766 88.2(3) ?
    N5 Ni1 N3 2_766 2_766 91.8(3) ?
    N3 Ni1 N3 . 2_766 180.0000(10)
                                 ?
    N8 Ni2 N8 2 . 180.00(10) ?
    N8 Ni2 N11 2 2 92.46(15) ?
    N8 Ni2 N11 . 2 87.54(15) ?
    N8 Ni2 N11 2 . 87.54(15) ?
    N8 Ni2 N11 . . 92.46(15) ?
    N11 Ni2 N11 2 . 180.00(11) ?
    N8 Ni2 N9 2 2 93.1(2) ?
    N8 Ni2 N9 . 2 86.9(2) ?
    N11 Ni2 N9 2 2 88.74(11) ?
    N11 Ni2 N9 . 2 91.26(11) ?
    N8 Ni2 N9 2 . 86.9(2) ?
    N8 Ni2 N9 . . 93.1(2) ?
    N11 Ni2 N9 2 . 91.26(11) ?
    N11 Ni2 N9 . . 88.74(11) ?
    N9 Ni2 N9 2 . 180.00(12) ?
    C3 N1 N2 . . 110.2(2) ?
    C3 N1 B1 . 2_766 129.7(3) ?
    N2 N1 B1 . 2_766 120.0(3) ?
    C1 N2 N1 . . 107.3(3) ?
    C1 N2 Ni1 . . 135.5(2) ?
    N1 N2 Ni1 . . 116.44(15) ?
    C8 N3 N4 . . 107.0(2) ?
    C8 N3 Ni1 . . 136.50(19) ?
    N4 N3 Ni1 . . 116.5(2) ?
    C6 N4 N3 . . 110.7(3) ?
    C6 N4 B1 . 2_766 129.7(2) ?
    N3 N4 B1 . 2_766 119.6(2) ?
    C11 N5 N6 . . 107.5(2) ?
    C11 N5 Ni1 . . 135.8(2) ?
    N6 N5 Ni1 . . 116.6(2) ?
    C13 N6 N5 . . 110.3(3) ?
    C13 N6 B1 . . 129.6(3) ?
    N5 N6 B1 . . 120.1(2) ?
    C16 N7 N8 . . 110.0(2) ?
    C16 N7 B2 . . 129.5(2) ?
    N8 N7 B2 . . 120.5(2) ?
    C18 N8 N7 . . 107.3(2) ?
    C18 N8 Ni2 . . 135.61(19) ?
    N7 N8 Ni2 . . 116.40(19) ?
    C23 N9 N10 . . 106.6(2) ?
    C23 N9 Ni2 . . 136.2(2) ?
    N10 N9 Ni2 . . 116.85(17) ?
    C21 N10 N9 . . 110.8(2) ?
    C21 N10 B2 . 2 129.2(2) ?
    N9 N10 B2 . 2 119.5(2) ?
    C26 N11 N12 . . 107.1(3) ?
    C26 N11 Ni2 . . 135.64(18) ?
    N12 N11 Ni2 . . 116.1(2) ?
    C28 N12 N11 . . 110.3(3) ?
    C28 N12 B2 . 2 129.7(2) ?
    N11 N12 B2 . 2 119.9(3) ?
    N1 B1 N4 2_766 2_766 108.1(2) ?
    N1 B1 N6 2_766 . 109.8(2) ?
    N4 B1 N6 2_766 . 108.6(3) ?
    N1 B1 H49 2_766 . 110.5(13) ?
    N4 B1 H49 2_766 . 110.3(13) ?
    N6 B1 H49 . . 109.5(14) ?
    N7 B2 N12 . 2 109.3(2) ?
    N7 B2 N10 . 2 110.3(3) ?
    N12 B2 N10 2 2 107.4(2) ?
    N7 B2 H50 . . 109.6(14) ?
    N12 B2 H50 2 . 109.6(14) ?
    N10 B2 H50 2 . 110.6(14) ?
    N2 C1 C2 . . 108.2(3) ?
    N2 C1 C4 . . 123.7(3) ?
    C2 C1 C4 . . 128.0(3) ?
    C3 C2 C1 . . 108.1(3) ?
    C3 C2 Cl1 . . 125.7(2) ?
    C1 C2 Cl1 . . 126.2(3) ?
    N1 C3 C2 . . 106.2(3) ?
    N1 C3 C5 . . 124.2(3) ?
    C2 C3 C5 . . 129.5(3) ?
    C1 C4 H4B . . 109.5 ?
    C1 C4 H4C . . 109.5 ?
    H4B C4 H4C . . 109.5 ?
    C1 C4 H4D . . 109.5 ?
    H4B C4 H4D . . 109.5 ?
    H4C C4 H4D . . 109.5 ?
    C3 C5 H5A . . 109.5 ?
    C3 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    C3 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    N4 C6 C7 . . 106.0(3) ?
    N4 C6 C9 . . 124.2(3) ?
    C7 C6 C9 . . 129.8(3) ?
    C6 C7 C8 . . 108.0(3) ?
    C6 C7 Cl2 . . 126.1(3) ?
    C8 C7 Cl2 . . 125.9(2) ?
    N3 C8 C7 . . 108.3(2) ?
    N3 C8 C10 . . 124.4(3) ?
    C7 C8 C10 . . 127.2(3) ?
    C6 C9 H9A . . 109.5 ?
    C6 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    C6 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    C8 C10 H10B . . 109.5 ?
    C8 C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    C8 C10 H10D . . 109.5 ?
    H10B C10 H10D . . 109.5 ?
    H10C C10 H10D . . 109.5 ?
    N5 C11 C12 . . 108.3(3) ?
    N5 C11 C14 . . 123.9(3) ?
    C12 C11 C14 . . 127.7(3) ?
    C13 C12 C11 . . 107.7(3) ?
    C13 C12 Cl3 . . 126.1(3) ?
    C11 C12 Cl3 . . 126.3(2) ?
    N6 C13 C12 . . 106.2(3) ?
    N6 C13 C15 . . 124.5(3) ?
    C12 C13 C15 . . 129.3(3) ?
    C11 C14 H14A . . 109.5 ?
    C11 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    C11 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    C13 C15 H15A . . 109.5 ?
    C13 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    C13 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    N7 C16 C17 . . 106.6(3) ?
    N7 C16 C19 . . 124.5(3) ?
    C17 C16 C19 . . 128.9(3) ?
    C16 C17 C18 . . 107.7(3) ?
    C16 C17 Cl4 . . 126.2(2) ?
    C18 C17 Cl4 . . 126.1(3) ?
    N8 C18 C17 . . 108.3(3) ?
    N8 C18 C20 . . 124.5(3) ?
    C17 C18 C20 . . 127.1(3) ?
    C16 C19 H19A . . 109.5 ?
    C16 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C16 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    C18 C20 H20A . . 109.5 ?
    C18 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    C18 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    N10 C21 C22 . . 106.4(2) ?
    N10 C21 C24 . . 124.1(2) ?
    C22 C21 C24 . . 129.6(3) ?
    C21 C22 C23 . . 107.7(3) ?
    C21 C22 Cl5 . . 125.9(2) ?
    C23 C22 Cl5 . . 126.4(2) ?
    N9 C23 C22 . . 108.5(3) ?
    N9 C23 C25 . . 123.9(2) ?
    C22 C23 C25 . . 127.6(3) ?
    C21 C24 H24A . . 109.5 ?
    C21 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C21 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    C23 C25 H25A . . 109.5 ?
    C23 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    C23 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    H25B C25 H25C . . 109.5 ?
    N11 C26 C27 . . 108.6(3) ?
    N11 C26 C29 . . 124.2(3) ?
    C27 C26 C29 . . 127.2(3) ?
    C28 C27 C26 . . 107.4(2) ?
    C28 C27 Cl6 . . 125.6(2) ?
    C26 C27 Cl6 . . 126.9(3) ?
    N12 C28 C27 . . 106.5(2) ?
    N12 C28 C30 . . 124.0(3) ?
    C27 C28 C30 . . 129.4(3) ?
    C26 C29 H29A . . 109.5 ?
    C26 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    C26 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
    C28 C30 H30A . . 109.5 ?
    C28 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    C28 C30 H30C . . 109.5 ?
    H30A C30 H30C . . 109.5 ?
    H30B C30 H30C . . 109.5 ?
