##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
data_global
_audit_creation_method     'from SHELXL97 CIF and IUCr SHELXL97-template'
_journal_date_recd_electronic     2002-08-29
_journal_date_accepted     2002-09-27
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2002
_journal_volume     58
_journal_issue     11
_journal_page_first     m537
_journal_page_last     m538
_journal_paper_category     FM
_publ_contact_author_name     'Professor Dr Wolfgang Bensch'
_publ_contact_author_address
;
Institut fur Anorganische Chemie
Christian-Albrechts-Universitat Kiel
Olshausenstrasse 40
D-24098 Kiel
Germany
;
_publ_contact_author_email     'wbensch@ac.uni-kiel.de'
_publ_contact_author_fax     '(+)431-880-1520'
_publ_contact_author_phone     '(+)431-880-2091'
_publ_section_title
;
The new thioantimonate(V), (C₃H₁₀N)[NiSbS₄(C₆H₁₈N₄)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Ralph Stähler'
;
Institut für Anorganische Chemie
Christian-Albrechts-Universität Kiel
Olshausenstraße 40
D-24098 Kiel
Germany
;
    'Wolfgang Bensch'
;
Institut für Anorganische Chemie
Christian-Albrechts-Universität Kiel
Olshausenstraße 40
D-24098 Kiel
Germany
;
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
propylammonium tris(2-aminoethyl)amine-1κ⁴N-di-μ-thio-1:2κ⁴S-dithio-
2κ²S-antimony(V)nickel(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C3 H10 N + , C6 H18 N4 Ni S4 Sb - '
_chemical_formula_sum     'C9 H28 N5 Ni S4 Sb'
_chemical_formula_iupac     '(C3 H10 N) [Ni Sb S4 (C6 H18 N4)]'
_chemical_formula_weight     515.06
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P-1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     7.5707(15)
_cell_length_b     11.303(2)
_cell_length_c     12.605(3)
_cell_angle_alpha     63.98(3)
_cell_angle_beta     84.49(3)
_cell_angle_gamma     82.26(3)
_cell_volume     959.7(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     24
_cell_measurement_theta_min     20
_cell_measurement_theta_max     29
_cell_measurement_temperature     293(2)
_exptl_crystal_description     polyhedron
_exptl_crystal_colour     turquoise
_exptl_crystal_size_max     0.5
_exptl_crystal_size_mid     0.2
_exptl_crystal_size_min     0.1
_exptl_crystal_density_diffrn     1.782
_exptl_crystal_density_meas     'not measured'
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     520
_exptl_absorpt_coefficient_mu     2.821
_exptl_absorpt_correction_type     '\y scan'
_exptl_absorpt_process_details
                     '[X-SHAPE (Stoe & Cie, 1998) and X-RED (Stoe & Cie, 1998)]'
_exptl_absorpt_correction_T_min     0.513
_exptl_absorpt_correction_T_max     0.720
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     293(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     'Philips PW1100 four-circle'
_diffrn_measurement_method     ω/θ
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     4967
_diffrn_reflns_av_R_equivalents     0.013
_diffrn_reflns_av_sigmaI/netI     0.025
_diffrn_reflns_theta_min     2.72
_diffrn_reflns_theta_max     28.02
_diffrn_reflns_theta_full     28.02
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     3
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     120
_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     4625
_reflns_number_gt     3940
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.031
_refine_ls_R_factor_gt     0.019
_refine_ls_wR_factor_gt     0.047
_refine_ls_wR_factor_ref     0.050
_refine_ls_goodness_of_fit_ref     1.017
_refine_ls_restrained_S_all     1.017
_refine_ls_number_reflns     4625
_refine_ls_number_parameters     181
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0217P)²+0.3866P] 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     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.71
_refine_diff_density_min     -0.47
_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'
    'S' 'S' 0.1246 0.1234
                         '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'
    'Sb' 'Sb' -0.5866 1.5461
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'DIF4 (Stoe & Cie, 1992)'
_computing_cell_refinement     'DIF4'
_computing_data_reduction     'REDU4 (Stoe & Cie, 1992)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'DIAMOND (Brandenburg, 1999)'
_computing_publication_material     'CIFTAB in SHELXL97'
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
    Sb 0.742414(18) 0.688104(13) 0.664750(12) 0.02788(4) Uani d . 1 . . Sb
    S1 0.50536(7) 0.66644(5) 0.56963(5) 0.03326(11) Uani d . 1 . . S
    S2 0.74095(9) 0.48688(6) 0.83310(5) 0.04205(14) Uani d . 1 . . S
    S3 0.66770(8) 0.87578(6) 0.69651(6) 0.03942(13) Uani d . 1 . . S
    S4 1.00701(9) 0.70430(7) 0.55436(7) 0.05046(17) Uani d . 1 . . S
    Ni 0.48115(4) 0.44435(3) 0.72600(2) 0.02841(6) Uani d . 1 . . Ni
    N1 0.4546(3) 0.24846(18) 0.85448(16) 0.0336(4) Uani d . 1 . . N
    N2 0.2759(2) 0.40871(19) 0.64784(17) 0.0343(4) Uani d . 1 . . N
    H1N2 0.1987 0.4821 0.6174 0.041 Uiso calc R 1 . . H
    H2N2 0.3215 0.3884 0.5885 0.041 Uiso calc R 1 . . H
    N3 0.3009(3) 0.4915(2) 0.8435(2) 0.0454(5) Uani d . 1 . . N
    H1N3 0.3493 0.5449 0.8661 0.055 Uiso calc R 1 . . H
    H2N3 0.2000 0.5353 0.8065 0.055 Uiso calc R 1 . . H
    N4 0.6884(3) 0.34876(19) 0.65835(17) 0.0356(4) Uani d . 1 . . N
    H1N4 0.6678 0.3682 0.5830 0.043 Uiso calc R 1 . . H
    H2N4 0.7927 0.3784 0.6589 0.043 Uiso calc R 1 . . H
    N5 0.2448(3) 0.9160(2) 0.5848(2) 0.0554(6) Uani d . 1 . . N
    H1N5 0.2436 0.9855 0.5145 0.083 Uiso calc R 1 . . H
    H2N5 0.1862 0.8541 0.5822 0.083 Uiso calc R 1 . . H
    H3N5 0.3570 0.8833 0.6036 0.083 Uiso calc R 1 . . H
    C1 0.3142(3) 0.1939(2) 0.8194(2) 0.0407(5) Uani d . 1 . . C
    H1A 0.2497 0.1374 0.8900 0.049 Uiso calc R 1 . . H
    H1B 0.3713 0.1393 0.7816 0.049 Uiso calc R 1 . . H
    C2 0.1819(3) 0.2989(2) 0.7360(2) 0.0403(5) Uani d . 1 . . C
    H2C 0.1202 0.2606 0.6965 0.048 Uiso calc R 1 . . H
    H2D 0.0938 0.3317 0.7805 0.048 Uiso calc R 1 . . H
    C3 0.4072(4) 0.2608(3) 0.9662(2) 0.0495(6) Uani d . 1 . . C
    H3C 0.5111 0.2798 0.9932 0.059 Uiso calc R 1 . . H
    H3D 0.3703 0.1777 1.0264 0.059 Uiso calc R 1 . . H
    C4 0.2577(4) 0.3703(3) 0.9490(2) 0.0537(7) Uani d . 1 . . C
    H4C 0.1468 0.3432 0.9387 0.064 Uiso calc R 1 . . H
    H4D 0.2428 0.3878 1.0182 0.064 Uiso calc R 1 . . H
    C5 0.6309(3) 0.1740(2) 0.8547(2) 0.0435(6) Uani d . 1 . . C
    H5A 0.6207 0.0798 0.8979 0.052 Uiso calc R 1 . . H
    H5B 0.7145 0.1974 0.8943 0.052 Uiso calc R 1 . . H
    C6 0.7005(3) 0.2050(2) 0.7291(2) 0.0434(6) Uani d . 1 . . C
    H6A 0.8237 0.1675 0.7298 0.052 Uiso calc R 1 . . H
    H6B 0.6307 0.1659 0.6946 0.052 Uiso calc R 1 . . H
    C7 0.1582(4) 0.9571(3) 0.6741(2) 0.0458(6) Uani d . 1 . . C
    H7A 0.0365 0.9941 0.6527 0.055 Uiso calc R 1 . . H
    H7B 0.2209 1.0256 0.6757 0.055 Uiso calc R 1 . . H
    C8 0.1566(4) 0.8429(3) 0.7949(3) 0.0546(7) Uani d . 1 . . C
    H8A 0.2784 0.8075 0.8170 0.066 Uiso calc R 1 . . H
    H8B 0.0968 0.7735 0.7926 0.066 Uiso calc R 1 . . H
    C9 0.0626(5) 0.8839(4) 0.8875(3) 0.0732(10) Uani d . 1 . . C
    H9A 0.0643 0.8086 0.9632 0.110 Uiso calc R 1 . . H
    H9B -0.0588 0.9175 0.8667 0.110 Uiso calc R 1 . . H
    H9C 0.1228 0.9515 0.8911 0.110 Uiso calc R 1 . . H
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
    Sb 0.02684(7) 0.02500(7) 0.03242(8) -0.00593(5) -0.00283(5) -0.01175(5)
    S1 0.0359(3) 0.0306(3) 0.0342(3) -0.0063(2) -0.0094(2) -0.0124(2)
    S2 0.0574(4) 0.0314(3) 0.0347(3) -0.0092(3) -0.0119(3) -0.0086(2)
    S3 0.0431(3) 0.0343(3) 0.0478(3) -0.0044(2) -0.0035(3) -0.0236(3)
    S4 0.0350(3) 0.0443(3) 0.0669(4) -0.0051(3) 0.0136(3) -0.0222(3)
    Ni 0.03015(14) 0.02492(13) 0.03024(14) -0.00574(10) -0.00185(11)
                                                                    -0.01107(11)
    N1 0.0397(10) 0.0288(9) 0.0316(9) -0.0091(8) -0.0022(8) -0.0107(8)
    N2 0.0328(9) 0.0335(9) 0.0380(10) -0.0033(7) -0.0045(8) -0.0161(8)
    N3 0.0497(12) 0.0418(11) 0.0533(13) -0.0079(9) 0.0037(10) -0.0286(10)
    N4 0.0349(10) 0.0368(10) 0.0364(10) -0.0048(8) -0.0002(8) -0.0168(8)
    N5 0.0561(14) 0.0413(12) 0.0570(14) -0.0014(10) 0.0110(11) -0.0140(11)
    C1 0.0445(13) 0.0332(12) 0.0484(14) -0.0152(10) -0.0007(11) -0.0183(11)
    C2 0.0333(12) 0.0431(13) 0.0512(14) -0.0117(10) 0.0000(10) -0.0248(11)
    C3 0.0708(18) 0.0461(14) 0.0300(12) -0.0207(13) 0.0038(12) -0.0121(11)
    C4 0.0690(19) 0.0578(17) 0.0445(15) -0.0209(14) 0.0175(13) -0.0315(13)
    C5 0.0455(14) 0.0281(11) 0.0473(14) -0.0008(10) -0.0117(11) -0.0063(10)
    C6 0.0407(13) 0.0329(12) 0.0564(15) 0.0035(10) -0.0029(11) -0.0208(11)
    C7 0.0493(14) 0.0362(12) 0.0507(15) -0.0046(11) -0.0056(12) -0.0169(11)
    C8 0.0427(14) 0.0486(15) 0.0565(17) -0.0048(12) -0.0064(12) -0.0072(13)
    C9 0.091(3) 0.078(2) 0.0515(18) -0.038(2) 0.0005(17) -0.0218(17)
_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
    Sb S1 . 2.3467(8) y
    Sb S2 . 2.3333(12) y
    Sb S3 . 2.3150(8) y
    Sb S4 . 2.3071(10) y
    S1 Ni . 2.4359(12) y
    S2 Ni . 2.6936(9) y
    Ni N1 . 2.116(2) y
    Ni N2 . 2.0876(19) y
    Ni N3 . 2.109(2) y
    Ni N4 . 2.110(2) y
    N1 C5 . 1.478(3) n
    N1 C3 . 1.482(3) n
    N1 C1 . 1.487(3) n
    N2 C2 . 1.469(3) n
    N2 H1N2 . 0.9000 n
    N2 H2N2 . 0.9000 n
    N3 C4 . 1.480(4) n
    N3 H1N3 . 0.9000 n
    N3 H2N3 . 0.9000 n
    N4 C6 . 1.466(3) n
    N4 H1N4 . 0.9000 n
    N4 H2N4 . 0.9000 n
    N5 C7 . 1.465(3) y
    N5 H1N5 . 0.8900 n
    N5 H2N5 . 0.8900 n
    N5 H3N5 . 0.8900 n
    C1 C2 . 1.518(4) n
    C1 H1A . 0.9700 n
    C1 H1B . 0.9700 n
    C2 H2C . 0.9700 n
    C2 H2D . 0.9700 n
    C3 C4 . 1.514(4) n
    C3 H3C . 0.9700 n
    C3 H3D . 0.9700 n
    C4 H4C . 0.9700 n
    C4 H4D . 0.9700 n
    C5 C6 . 1.520(4) n
    C5 H5A . 0.9700 n
    C5 H5B . 0.9700 n
    C6 H6A . 0.9700 n
    C6 H6B . 0.9700 n
    C7 C8 . 1.504(4) n
    C7 H7A . 0.9700 n
    C7 H7B . 0.9700 n
    C8 C9 . 1.520(5) n
    C8 H8A . 0.9700 n
    C8 H8B . 0.9700 n
    C9 H9A . 0.9600 n
    C9 H9B . 0.9600 n
    C9 H9C . 0.9600 n
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
    S1 Sb S2 . . 98.54(4) y
    S1 Sb S3 . . 107.58(3) y
    S1 Sb S4 . . 111.90(3) y
    S2 Sb S3 . . 115.66(3) y
    S2 Sb S4 . . 112.23(4) y
    S3 Sb S4 . . 110.31(4) y
    Sb S1 Ni . . 89.83(4) y
    Sb S2 Ni . . 84.10(4) y
    N1 Ni N2 . . 83.09(8) y
    N1 Ni N3 . . 82.47(9) y
    N1 Ni N4 . . 82.55(8) y
    N2 Ni N3 . . 92.28(8) y
    N2 Ni N4 . . 95.54(8) y
    N3 Ni N4 . . 162.13(9) y
    N1 Ni S1 . . 176.65(5) y
    N2 Ni S1 . . 93.94(6) y
    N3 Ni S1 . . 99.24(7) y
    N4 Ni S1 . . 96.23(6) y
    N1 Ni S2 . . 95.67(6) y
    N2 Ni S2 . . 178.31(6) y
    N3 Ni S2 . . 86.41(7) y
    N4 Ni S2 . . 85.43(6) y
    S1 Ni S2 . . 87.33(4) y
    C5 N1 C3 . . 113.3(2) n
    C5 N1 C1 . . 110.91(19) n
    C3 N1 C1 . . 112.9(2) n
    C5 N1 Ni . . 105.42(14) n
    C3 N1 Ni . . 104.69(14) n
    C1 N1 Ni . . 109.13(14) n
    C2 N2 Ni . . 110.05(14) n
    C2 N2 H1N2 . . 109.6 n
    Ni N2 H1N2 . . 109.6 n
    C2 N2 H2N2 . . 109.6 n
    Ni N2 H2N2 . . 109.6 n
    H1N2 N2 H2N2 . . 108.2 n
    C4 N3 Ni . . 110.89(16) n
    C4 N3 H1N3 . . 109.5 n
    Ni N3 H1N3 . . 109.5 n
    C4 N3 H2N3 . . 109.5 n
    Ni N3 H2N3 . . 109.5 n
    H1N3 N3 H2N3 . . 108.0 n
    C6 N4 Ni . . 110.73(15) n
    C6 N4 H1N4 . . 109.5 n
    Ni N4 H1N4 . . 109.5 n
    C6 N4 H2N4 . . 109.5 n
    Ni N4 H2N4 . . 109.5 n
    H1N4 N4 H2N4 . . 108.1 n
    C7 N5 H1N5 . . 109.5 n
    C7 N5 H2N5 . . 109.5 n
    H1N5 N5 H2N5 . . 109.5 n
    C7 N5 H3N5 . . 109.5 n
    H1N5 N5 H3N5 . . 109.5 n
    H2N5 N5 H3N5 . . 109.5 n
    N1 C1 C2 . . 113.89(19) n
    N1 C1 H1A . . 108.8 n
    C2 C1 H1A . . 108.8 n
    N1 C1 H1B . . 108.8 n
    C2 C1 H1B . . 108.8 n
    H1A C1 H1B . . 107.7 n
    N2 C2 C1 . . 109.87(19) n
    N2 C2 H2C . . 109.7 n
    C1 C2 H2C . . 109.7 n
    N2 C2 H2D . . 109.7 n
    C1 C2 H2D . . 109.7 n
    H2C C2 H2D . . 108.2 n
    N1 C3 C4 . . 110.8(2) n
    N1 C3 H3C . . 109.5 n
    C4 C3 H3C . . 109.5 n
    N1 C3 H3D . . 109.5 n
    C4 C3 H3D . . 109.5 n
    H3C C3 H3D . . 108.1 n
    N3 C4 C3 . . 109.4(2) n
    N3 C4 H4C . . 109.8 n
    C3 C4 H4C . . 109.8 n
    N3 C4 H4D . . 109.8 n
    C3 C4 H4D . . 109.8 n
    H4C C4 H4D . . 108.2 n
    N1 C5 C6 . . 110.57(19) n
    N1 C5 H5A . . 109.5 n
    C6 C5 H5A . . 109.5 n
    N1 C5 H5B . . 109.5 n
    C6 C5 H5B . . 109.5 n
    H5A C5 H5B . . 108.1 n
    N4 C6 C5 . . 109.6(2) n
    N4 C6 H6A . . 109.7 n
    C5 C6 H6A . . 109.7 n
    N4 C6 H6B . . 109.7 n
    C5 C6 H6B . . 109.7 n
    H6A C6 H6B . . 108.2 n
    N5 C7 C8 . . 111.6(2) n
    N5 C7 H7A . . 109.3 n
    C8 C7 H7A . . 109.3 n
    N5 C7 H7B . . 109.3 n
    C8 C7 H7B . . 109.3 n
    H7A C7 H7B . . 108.0 n
    C7 C8 C9 . . 112.0(3) n
    C7 C8 H8A . . 109.2 n
    C9 C8 H8A . . 109.2 n
    C7 C8 H8B . . 109.2 n
    C9 C8 H8B . . 109.2 n
    H8A C8 H8B . . 107.9 n
    C8 C9 H9A . . 109.5 n
    C8 C9 H9B . . 109.5 n
    H9A C9 H9B . . 109.5 n
    C8 C9 H9C . . 109.5 n
    H9A C9 H9C . . 109.5 n
    H9B C9 H9C . . 109.5 n
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
    S4 Sb S1 S1 . . . 1 0.00(6) ?
    S3 Sb S1 S1 1 . . 1 0.00(5) ?
    S3 Sb S1 S1 . . . 1 0.00(5) ?
    S2 Sb S1 S1 . . . 1 0.00(5) ?
    S4 Sb S1 Ni . . . . 114.50(4) ?
    S3 Sb S1 Ni 1 . . . -124.17(3) ?
    S3 Sb S1 Ni . . . . -124.17(3) ?
    S2 Sb S1 Ni . . . . -3.71(2) ?
    S1 Sb S1 Ni 1 . . . 0(6) ?
    S4 Sb S2 Ni . . . . -114.59(3) ?
    S3 Sb S2 Ni 1 . . . 117.64(3) ?
    S3 Sb S2 Ni . . . . 117.64(3) ?
    S1 Sb S2 Ni . . . . 3.37(2) ?
    S1 Sb S2 Ni 1 . . . 3.37(2) ?
    S4 Sb S3 S3 . . . 1 0.00(19) ?
    S2 Sb S3 S3 . . . 1 0.00(18) ?
    S1 Sb S3 S3 . . . 1 0.00(17) ?
    S1 Sb S3 S3 1 . . 1 0.00(17) ?
    S1 S1 Ni N2 1 . . . 0.00(7) ?
    Sb S1 Ni N2 . . . . -177.94(6) ?
    S1 S1 Ni N3 1 . . . 0.00(7) ?
    Sb S1 Ni N3 . . . . 89.10(7) ?
    S1 S1 Ni N4 1 . . . 0.00(7) ?
    Sb S1 Ni N4 . . . . -81.92(6) ?
    S1 S1 Ni N1 1 . . . 0.0(2) ?
    Sb S1 Ni N1 . . . . -150.3(10) ?
    Sb S1 Ni S1 . . . 1 0(6) ?
    S1 S1 Ni S2 1 . . . 0.00(7) ?
    Sb S1 Ni S2 . . . . 3.18(2) ?
    Sb S2 Ni N2 . . . . -142.0(19) ?
    Sb S2 Ni N3 . . . . -102.66(7) ?
    Sb S2 Ni N4 . . . . 93.25(6) ?
    Sb S2 Ni N1 . . . . 175.28(6) ?
    Sb S2 Ni S1 . . . 1 -3.22(2) ?
    Sb S2 Ni S1 . . . . -3.22(2) ?
    N2 Ni N1 C5 . . . . 120.43(15) ?
    N3 Ni N1 C5 . . . . -146.34(16) ?
    N4 Ni N1 C5 . . . . 23.89(15) ?
    S1 Ni N1 C5 1 . . . 92.7(10) ?
    S1 Ni N1 C5 . . . . 92.7(10) ?
    S2 Ni N1 C5 . . . . -60.73(15) ?
    N2 Ni N1 C3 . . . . -119.81(17) ?
    N3 Ni N1 C3 . . . . -26.57(16) ?
    N4 Ni N1 C3 . . . . 143.65(17) ?
    S1 Ni N1 C3 1 . . . -147.5(9) ?
    S1 Ni N1 C3 . . . . -147.5(9) ?
    S2 Ni N1 C3 . . . . 59.04(16) ?
    N2 Ni N1 C1 . . . . 1.25(15) ?
    N3 Ni N1 C1 . . . . 94.48(16) ?
    N4 Ni N1 C1 . . . . -95.29(16) ?
    S1 Ni N1 C1 1 . . . -26.5(11) ?
    S1 Ni N1 C1 . . . . -26.5(11) ?
    S2 Ni N1 C1 . . . . -179.91(14) ?
    N3 Ni N2 C2 . . . . -61.63(16) ?
    N4 Ni N2 C2 . . . . 102.28(16) ?
    N1 Ni N2 C2 . . . . 20.50(15) ?
    S1 Ni N2 C2 1 . . . -161.06(14) ?
    S1 Ni N2 C2 . . . . -161.06(14) ?
    S2 Ni N2 C2 . . . . -22.4(19) ?
    N2 Ni N3 C4 . . . . 84.27(19) ?
    N4 Ni N3 C4 . . . . -31.7(4) ?
    N1 Ni N3 C4 . . . . 1.54(18) ?
    S1 Ni N3 C4 1 . . . 178.63(17) ?
    S1 Ni N3 C4 . . . . 178.63(17) ?
    S2 Ni N3 C4 . . . . -94.66(18) ?
    N2 Ni N4 C6 . . . . -80.39(17) ?
    N3 Ni N4 C6 . . . . 35.1(3) ?
    N1 Ni N4 C6 . . . . 1.88(16) ?
    S1 Ni N4 C6 1 . . . -174.98(15) ?
    S1 Ni N4 C6 . . . . -174.98(15) ?
    S2 Ni N4 C6 . . . . 98.21(16) ?
    C5 N1 C1 C2 . . . . -138.4(2) ?
    C3 N1 C1 C2 . . . . 93.2(3) ?
    Ni N1 C1 C2 . . . . -22.7(2) ?
    Ni N2 C2 C1 . . . . -37.8(2) ?
    N1 C1 C2 N2 . . . . 40.7(3) ?
    C5 N1 C3 C4 . . . . 162.6(2) ?
    C1 N1 C3 C4 . . . . -70.3(3) ?
    Ni N1 C3 C4 . . . . 48.2(2) ?
    Ni N3 C4 C3 . . . . 23.9(3) ?
    N1 C3 C4 N3 . . . . -49.2(3) ?
    C3 N1 C5 C6 . . . . -160.0(2) ?
    C1 N1 C5 C6 . . . . 71.9(2) ?
    Ni N1 C5 C6 . . . . -46.1(2) ?
    Ni N4 C6 C5 . . . . -27.1(2) ?
    N1 C5 C6 N4 . . . . 50.0(3) ?
    N5 C7 C8 C9 . . . . -178.5(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
    N2 H1N2 S4 1_455 0.90 2.56 3.445(2) 170
    N2 H2N2 S1 2_666 0.90 2.54 3.431(2) 172
    N4 H1N4 S1 2_666 0.90 2.62 3.428(2) 150
    N5 H1N5 S3 2_676 0.89 2.50 3.347(3) 159
    N5 H2N5 S4 1_455 0.89 2.46 3.348(3) 173
    N5 H3N5 S3 . 0.89 2.70 3.515(3) 152
    N5 H3N5 S1 . 0.89 2.75 3.284(3) 120
