##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis(di-2-pyridylamine-κ²N,N')bis(thiocyanato-
κN)nickel(II)
;
_chemical_name_common     'work'
_chemical_formula_moiety     'C22 H18 N8 Ni S2'
_chemical_formula_sum     'C22 H18 N8 Ni S2'
_chemical_formula_iupac     '[Ni (N C S)2 (C10 H9 N3)2]'
_chemical_formula_weight     517.27
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     8.605(4)
_cell_length_b     16.410(9)
_cell_length_c     16.556(10)
_cell_angle_alpha     90.00
_cell_angle_beta     107.894(8)
_cell_angle_gamma     90.00
_cell_volume     2225(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2092
_cell_measurement_theta_min     2.484
_cell_measurement_theta_max     24.76
_cell_measurement_temperature     100(2)
_exptl_crystal_description     'plate'
_exptl_crystal_colour     'purple'
_exptl_crystal_size_max     0.24
_exptl_crystal_size_mid     0.18
_exptl_crystal_size_min     0.04
_exptl_crystal_density_diffrn     1.544
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1064
_exptl_absorpt_coefficient_mu     1.089
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1997)'
_exptl_absorpt_correction_T_min     0.780
_exptl_absorpt_correction_T_max     0.958
_exptl_special_details     ?
_diffrn_ambient_temperature     100(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     'Bruker APEX CCD area-detector'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10729
_diffrn_reflns_av_R_equivalents     0.0677
_diffrn_reflns_av_sigmaI/netI     0.0839
_diffrn_reflns_theta_min     1.79
_diffrn_reflns_theta_max     25.57
_diffrn_reflns_theta_full     25.50
_diffrn_measured_fraction_theta_max     0.983
_diffrn_measured_fraction_theta_full     0.989
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     19
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     19
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_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 >
σ(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     4107
_reflns_number_gt     2815
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1034
_refine_ls_R_factor_gt     0.0656
_refine_ls_wR_factor_gt     0.1441
_refine_ls_wR_factor_ref     0.1605
_refine_ls_goodness_of_fit_ref     1.026
_refine_ls_restrained_S_all     1.026
_refine_ls_number_reflns     4107
_refine_ls_number_parameters     304
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0760P)²+1.1451P] 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     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.773
_refine_diff_density_min     -0.841
_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'
_computing_data_collection     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT (Bruker, 2003)'
_computing_data_reduction     'SAINT (Bruker, 2003)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'Mercury (Macrae et al., 2008)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ni Ni1 0.17658(8) 0.22019(4) 0.21548(4) 0.0259(2) Uani d . 1 1 . .
    N N1 0.0773(5) 0.2386(3) 0.3150(3) 0.0265(10) Uani d . 1 1 . .
    C C2 -0.0102(6) 0.1787(3) 0.3351(3) 0.0309(13) Uani d . 1 1 . .
    H H2 -0.0192 0.1284 0.3057 0.037 Uiso calc R 1 1 . .
    C C3 -0.0881(7) 0.1865(3) 0.3965(4) 0.0321(13) Uani d . 1 1 . .
    H H3 -0.1484 0.1427 0.4095 0.038 Uiso calc R 1 1 . .
    C C4 -0.0750(7) 0.2606(3) 0.4384(3) 0.0313(13) Uani d . 1 1 . .
    H H4 -0.1284 0.2686 0.4802 0.038 Uiso calc R 1 1 . .
    C C5 0.0151(6) 0.3220(3) 0.4194(3) 0.0306(13) Uani d . 1 1 . .
    H H5 0.0255 0.3729 0.4479 0.037 Uiso calc R 1 1 . .
    C C6 0.0914(6) 0.3089(3) 0.3575(3) 0.0279(12) Uani d . 1 1 . .
    N N7 0.1791(5) 0.3731(3) 0.3382(3) 0.0264(10) Uani d . 1 1 . .
    H H7 0.167(7) 0.420(3) 0.361(4) 0.032 Uiso d . 1 1 . .
    C C8 0.3232(7) 0.3684(3) 0.3174(3) 0.0290(12) Uani d . 1 1 . .
    C C9 0.4232(7) 0.4366(3) 0.3302(3) 0.0332(13) Uani d . 1 1 . .
    H H9 0.3900 0.4866 0.3486 0.040 Uiso calc R 1 1 . .
    C C10 0.5705(7) 0.4300(3) 0.3157(3) 0.0328(13) Uani d . 1 1 . .
    H H10 0.6405 0.4760 0.3224 0.039 Uiso calc R 1 1 . .
    C C11 0.6166(7) 0.3557(3) 0.2912(3) 0.0318(13) Uani d . 1 1 . .
    H H11 0.7220 0.3486 0.2851 0.038 Uiso calc R 1 1 . .
    C C12 0.5081(7) 0.2924(3) 0.2758(3) 0.0296(12) Uani d . 1 1 . .
    H H12 0.5393 0.2418 0.2576 0.035 Uiso calc R 1 1 . .
    N N13 0.3598(5) 0.2989(3) 0.2854(3) 0.0269(10) Uani d . 1 1 . .
    N N14 0.0418(5) 0.3193(3) 0.1498(3) 0.0251(10) Uani d . 1 1 . .
    C C15 -0.1120(6) 0.3317(3) 0.1526(3) 0.0263(12) Uani d . 1 1 . .
    H H15 -0.1666 0.2881 0.1703 0.032 Uiso calc R 1 1 . .
    C C16 -0.1916(7) 0.4037(3) 0.1314(3) 0.0300(12) Uani d . 1 1 . .
    H H16 -0.3006 0.4096 0.1328 0.036 Uiso calc R 1 1 . .
    C C17 -0.1126(7) 0.4684(4) 0.1075(3) 0.0351(13) Uani d . 1 1 . .
    H H17 -0.1638 0.5202 0.0954 0.042 Uiso calc R 1 1 . .
    C C18 0.0408(7) 0.4562(3) 0.1018(3) 0.0310(13) Uani d . 1 1 . .
    H H18 0.0984 0.4994 0.0855 0.037 Uiso calc R 1 1 . .
    C C19 0.1103(6) 0.3797(3) 0.1202(3) 0.0248(11) Uani d . 1 1 . .
    N N20 0.2599(5) 0.3658(3) 0.1073(3) 0.0265(10) Uani d . 1 1 . .
    H H20 0.306(7) 0.410(3) 0.100(4) 0.032 Uiso d . 1 1 . .
    C C21 0.3201(7) 0.2927(3) 0.0869(3) 0.0296(13) Uani d . 1 1 . .
    C C22 0.4206(7) 0.2955(3) 0.0350(3) 0.0324(13) Uani d . 1 1 . .
    H H22 0.4455 0.3460 0.0137 0.039 Uiso calc R 1 1 . .
    C C23 0.4827(7) 0.2240(4) 0.0153(4) 0.0355(14) Uani d . 1 1 . .
    H H23 0.5566 0.2245 -0.0172 0.043 Uiso calc R 1 1 . .
    C C24 0.4367(7) 0.1514(4) 0.0430(3) 0.0332(13) Uani d . 1 1 . .
    H H24 0.4733 0.1009 0.0275 0.040 Uiso calc R 1 1 . .
    C C25 0.3384(6) 0.1539(3) 0.0926(3) 0.0306(13) Uani d . 1 1 . .
    H H25 0.3067 0.1037 0.1115 0.037 Uiso calc R 1 1 . .
    N N26 0.2823(5) 0.2237(3) 0.1172(3) 0.0285(10) Uani d . 1 1 . .
    N N27 0.3197(6) 0.1248(3) 0.2766(3) 0.0332(11) Uani d . 1 1 . .
    C C28 0.4180(7) 0.0920(3) 0.3306(3) 0.0276(12) Uani d . 1 1 . .
    S S29 0.55527(18) 0.04778(9) 0.41017(9) 0.0335(4) Uani d . 1 1 . .
    N N30 -0.0026(6) 0.1428(3) 0.1499(3) 0.0317(11) Uani d . 1 1 . .
    C C31 -0.0852(7) 0.0975(3) 0.1021(4) 0.0282(12) Uani d . 1 1 . .
    S S32 -0.20188(17) 0.03490(8) 0.03303(9) 0.0308(3) Uani d . 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ni1 N30 . 2.035(5) ?
    Ni1 N27 . 2.055(5) ?
    Ni1 N13 . 2.092(4) ?
    Ni1 N26 . 2.095(4) ?
    Ni1 N14 . 2.097(4) ?
    Ni1 N1 . 2.097(4) ?
    N1 C6 . 1.337(7) ?
    N1 C2 . 1.341(7) ?
    C2 C3 . 1.385(7) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.387(8) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.365(8) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.392(7) ?
    C5 H5 . 0.9500 ?
    C6 N7 . 1.390(7) ?
    N7 C8 . 1.387(7) ?
    N7 H7 . 0.88(5) ?
    C8 N13 . 1.335(7) ?
    C8 C9 . 1.388(8) ?
    C9 C10 . 1.364(8) ?
    C9 H9 . 0.9500 ?
    C10 C11 . 1.382(8) ?
    C10 H10 . 0.9500 ?
    C11 C12 . 1.366(7) ?
    C11 H11 . 0.9500 ?
    C12 N13 . 1.337(7) ?
    C12 H12 . 0.9500 ?
    N14 C19 . 1.322(6) ?
    N14 C15 . 1.354(6) ?
    C15 C16 . 1.357(7) ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.382(8) ?
    C16 H16 . 0.9500 ?
    C17 C18 . 1.367(8) ?
    C17 H17 . 0.9500 ?
    C18 C19 . 1.384(7) ?
    C18 H18 . 0.9500 ?
    C19 N20 . 1.387(7) ?
    N20 C21 . 1.389(7) ?
    N20 H20 . 0.85(5) ?
    C21 N26 . 1.318(7) ?
    C21 C22 . 1.396(8) ?
    C22 C23 . 1.369(8) ?
    C22 H22 . 0.9500 ?
    C23 C24 . 1.378(8) ?
    C23 H23 . 0.9500 ?
    C24 C25 . 1.349(7) ?
    C24 H24 . 0.9500 ?
    C25 N26 . 1.353(7) ?
    C25 H25 . 0.9500 ?
    N27 C28 . 1.157(7) ?
    C28 S29 . 1.644(6) ?
    N30 C31 . 1.157(7) ?
    C31 S32 . 1.632(6) ?
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
    N30 Ni1 N27 . . 91.65(19) ?
    N30 Ni1 N13 . . 178.74(17) ?
    N27 Ni1 N13 . . 87.81(18) ?
    N30 Ni1 N26 . . 92.34(18) ?
    N27 Ni1 N26 . . 93.79(18) ?
    N13 Ni1 N26 . . 88.83(17) ?
    N30 Ni1 N14 . . 89.99(18) ?
    N27 Ni1 N14 . . 176.50(17) ?
    N13 Ni1 N14 . . 90.61(17) ?
    N26 Ni1 N14 . . 83.06(17) ?
    N30 Ni1 N1 . . 94.85(18) ?
    N27 Ni1 N1 . . 92.87(17) ?
    N13 Ni1 N1 . . 84.04(17) ?
    N26 Ni1 N1 . . 170.05(17) ?
    N14 Ni1 N1 . . 90.07(16) ?
    C6 N1 C2 . . 117.9(5) ?
    C6 N1 Ni1 . . 123.0(3) ?
    C2 N1 Ni1 . . 119.0(4) ?
    N1 C2 C3 . . 123.3(5) ?
    N1 C2 H2 . . 118.3 ?
    C3 C2 H2 . . 118.3 ?
    C2 C3 C4 . . 117.7(5) ?
    C2 C3 H3 . . 121.1 ?
    C4 C3 H3 . . 121.1 ?
    C5 C4 C3 . . 119.7(5) ?
    C5 C4 H4 . . 120.2 ?
    C3 C4 H4 . . 120.2 ?
    C4 C5 C6 . . 119.1(5) ?
    C4 C5 H5 . . 120.5 ?
    C6 C5 H5 . . 120.5 ?
    N1 C6 N7 . . 120.0(5) ?
    N1 C6 C5 . . 122.2(5) ?
    N7 C6 C5 . . 117.7(5) ?
    C8 N7 C6 . . 127.2(5) ?
    C8 N7 H7 . . 113(4) ?
    C6 N7 H7 . . 115(4) ?
    N13 C8 N7 . . 118.9(5) ?
    N13 C8 C9 . . 122.6(5) ?
    N7 C8 C9 . . 118.5(5) ?
    C10 C9 C8 . . 118.4(5) ?
    C10 C9 H9 . . 120.8 ?
    C8 C9 H9 . . 120.8 ?
    C9 C10 C11 . . 119.2(5) ?
    C9 C10 H10 . . 120.4 ?
    C11 C10 H10 . . 120.4 ?
    C12 C11 C10 . . 118.9(5) ?
    C12 C11 H11 . . 120.5 ?
    C10 C11 H11 . . 120.5 ?
    N13 C12 C11 . . 122.7(5) ?
    N13 C12 H12 . . 118.7 ?
    C11 C12 H12 . . 118.7 ?
    C8 N13 C12 . . 117.7(5) ?
    C8 N13 Ni1 . . 121.2(3) ?
    C12 N13 Ni1 . . 118.0(3) ?
    C19 N14 C15 . . 116.9(4) ?
    C19 N14 Ni1 . . 122.3(3) ?
    C15 N14 Ni1 . . 119.3(3) ?
    N14 C15 C16 . . 122.9(5) ?
    N14 C15 H15 . . 118.5 ?
    C16 C15 H15 . . 118.5 ?
    C15 C16 C17 . . 119.3(5) ?
    C15 C16 H16 . . 120.3 ?
    C17 C16 H16 . . 120.3 ?
    C18 C17 C16 . . 118.6(5) ?
    C18 C17 H17 . . 120.7 ?
    C16 C17 H17 . . 120.7 ?
    C17 C18 C19 . . 118.6(5) ?
    C17 C18 H18 . . 120.7 ?
    C19 C18 H18 . . 120.7 ?
    N14 C19 C18 . . 123.4(5) ?
    N14 C19 N20 . . 118.3(4) ?
    C18 C19 N20 . . 118.3(5) ?
    C19 N20 C21 . . 127.8(4) ?
    C19 N20 H20 . . 112(4) ?
    C21 N20 H20 . . 118(4) ?
    N26 C21 N20 . . 119.7(5) ?
    N26 C21 C22 . . 122.3(5) ?
    N20 C21 C22 . . 117.9(5) ?
    C23 C22 C21 . . 118.6(5) ?
    C23 C22 H22 . . 120.7 ?
    C21 C22 H22 . . 120.7 ?
    C22 C23 C24 . . 119.3(5) ?
    C22 C23 H23 . . 120.4 ?
    C24 C23 H23 . . 120.4 ?
    C25 C24 C23 . . 118.4(5) ?
    C25 C24 H24 . . 120.8 ?
    C23 C24 H24 . . 120.8 ?
    C24 C25 N26 . . 123.8(5) ?
    C24 C25 H25 . . 118.1 ?
    N26 C25 H25 . . 118.1 ?
    C21 N26 C25 . . 117.4(5) ?
    C21 N26 Ni1 . . 122.4(4) ?
    C25 N26 Ni1 . . 119.4(4) ?
    C28 N27 Ni1 . . 157.0(4) ?
    N27 C28 S29 . . 177.5(5) ?
    C31 N30 Ni1 . . 166.4(4) ?
    N30 C31 S32 . . 178.8(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
    N30 Ni1 N1 C6 . . . . -147.6(4) ?
    N27 Ni1 N1 C6 . . . . 120.5(4) ?
    N13 Ni1 N1 C6 . . . . 33.1(4) ?
    N14 Ni1 N1 C6 . . . . -57.6(4) ?
    N30 Ni1 N1 C2 . . . . 29.7(4) ?
    N27 Ni1 N1 C2 . . . . -62.2(4) ?
    N13 Ni1 N1 C2 . . . . -149.7(4) ?
    N14 Ni1 N1 C2 . . . . 119.7(4) ?
    C6 N1 C2 C3 . . . . 1.0(8) ?
    Ni1 N1 C2 C3 . . . . -176.4(4) ?
    N1 C2 C3 C4 . . . . 0.5(8) ?
    C2 C3 C4 C5 . . . . -1.2(8) ?
    C3 C4 C5 C6 . . . . 0.4(8) ?
    C2 N1 C6 N7 . . . . -179.1(5) ?
    Ni1 N1 C6 N7 . . . . -1.9(7) ?
    C2 N1 C6 C5 . . . . -1.9(8) ?
    Ni1 N1 C6 C5 . . . . 175.4(4) ?
    C4 C5 C6 N1 . . . . 1.2(8) ?
    C4 C5 C6 N7 . . . . 178.5(5) ?
    N1 C6 N7 C8 . . . . -38.8(8) ?
    C5 C6 N7 C8 . . . . 143.9(5) ?
    C6 N7 C8 N13 . . . . 23.8(8) ?
    C6 N7 C8 C9 . . . . -156.7(5) ?
    N13 C8 C9 C10 . . . . -5.3(8) ?
    N7 C8 C9 C10 . . . . 175.2(5) ?
    C8 C9 C10 C11 . . . . -1.7(8) ?
    C9 C10 C11 C12 . . . . 5.0(8) ?
    C10 C11 C12 N13 . . . . -1.5(8) ?
    N7 C8 N13 C12 . . . . -171.8(5) ?
    C9 C8 N13 C12 . . . . 8.7(8) ?
    N7 C8 N13 Ni1 . . . . 28.5(6) ?
    C9 C8 N13 Ni1 . . . . -151.0(4) ?
    C11 C12 N13 C8 . . . . -5.2(8) ?
    C11 C12 N13 Ni1 . . . . 155.2(4) ?
    N27 Ni1 N13 C8 . . . . -139.8(4) ?
    N26 Ni1 N13 C8 . . . . 126.4(4) ?
    N14 Ni1 N13 C8 . . . . 43.3(4) ?
    N1 Ni1 N13 C8 . . . . -46.7(4) ?
    N27 Ni1 N13 C12 . . . . 60.6(4) ?
    N26 Ni1 N13 C12 . . . . -33.3(4) ?
    N14 Ni1 N13 C12 . . . . -116.3(4) ?
    N1 Ni1 N13 C12 . . . . 153.7(4) ?
    N30 Ni1 N14 C19 . . . . -137.4(4) ?
    N13 Ni1 N14 C19 . . . . 43.8(4) ?
    N26 Ni1 N14 C19 . . . . -45.0(4) ?
    N1 Ni1 N14 C19 . . . . 127.8(4) ?
    N30 Ni1 N14 C15 . . . . 57.0(4) ?
    N13 Ni1 N14 C15 . . . . -121.9(4) ?
    N26 Ni1 N14 C15 . . . . 149.3(4) ?
    N1 Ni1 N14 C15 . . . . -37.9(4) ?
    C19 N14 C15 C16 . . . . -3.8(7) ?
    Ni1 N14 C15 C16 . . . . 162.6(4) ?
    N14 C15 C16 C17 . . . . -1.6(8) ?
    C15 C16 C17 C18 . . . . 3.5(8) ?
    C16 C17 C18 C19 . . . . -0.1(8) ?
    C15 N14 C19 C18 . . . . 7.5(7) ?
    Ni1 N14 C19 C18 . . . . -158.5(4) ?
    C15 N14 C19 N20 . . . . -172.7(4) ?
    Ni1 N14 C19 N20 . . . . 21.3(6) ?
    C17 C18 C19 N14 . . . . -5.7(8) ?
    C17 C18 C19 N20 . . . . 174.5(5) ?
    N14 C19 N20 C21 . . . . 29.3(8) ?
    C18 C19 N20 C21 . . . . -150.9(5) ?
    C19 N20 C21 N26 . . . . -33.8(8) ?
    C19 N20 C21 C22 . . . . 146.6(5) ?
    N26 C21 C22 C23 . . . . -0.4(8) ?
    N20 C21 C22 C23 . . . . 179.2(5) ?
    C21 C22 C23 C24 . . . . 3.7(8) ?
    C22 C23 C24 C25 . . . . -3.5(8) ?
    C23 C24 C25 N26 . . . . -0.2(8) ?
    N20 C21 N26 C25 . . . . 177.3(5) ?
    C22 C21 N26 C25 . . . . -3.2(8) ?
    N20 C21 N26 Ni1 . . . . -13.4(7) ?
    C22 C21 N26 Ni1 . . . . 166.1(4) ?
    C24 C25 N26 C21 . . . . 3.5(8) ?
    C24 C25 N26 Ni1 . . . . -166.1(4) ?
    N30 Ni1 N26 C21 . . . . 130.3(4) ?
    N27 Ni1 N26 C21 . . . . -137.9(4) ?
    N13 Ni1 N26 C21 . . . . -50.1(4) ?
    N14 Ni1 N26 C21 . . . . 40.6(4) ?
    N30 Ni1 N26 C25 . . . . -60.6(4) ?
    N27 Ni1 N26 C25 . . . . 31.2(4) ?
    N13 Ni1 N26 C25 . . . . 118.9(4) ?
    N14 Ni1 N26 C25 . . . . -150.3(4) ?
    N30 Ni1 N27 C28 . . . . -152.9(11) ?
    N13 Ni1 N27 C28 . . . . 25.9(11) ?
    N26 Ni1 N27 C28 . . . . 114.6(11) ?
    N1 Ni1 N27 C28 . . . . -58.0(11) ?
    N27 Ni1 N30 C31 . . . . -83(2) ?
    N26 Ni1 N30 C31 . . . . 11(2) ?
    N14 Ni1 N30 C31 . . . . 94(2) ?
    N1 Ni1 N30 C31 . . . . -176(2) ?
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
    N7 H7 S32 2_555 0.88(5) 2.53(6) 3.373(5) 161
    N20 H20 S29 2_655 0.85(5) 2.59(5) 3.437(5) 175
data_global
_journal_data_validation_number     ?
_journal_date_recd_electronic     2011-11-13
_journal_date_accepted     2011-11-22
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue     12
_journal_page_first     m1868
_journal_page_last     m1869
_journal_paper_category     QM
_journal_paper_doi     10.1107/S1600536811050197
_journal_coeditor_code     PK2364
_publ_contact_author_name     'Liliana Dobrzańska'
_publ_contact_author_address
;
 Department of Chemistry,
 Katholieke Universiteit Leuven,
 Celestijnenlaan 200F - bus 2404,
 B-3001 Heverlee,
 Belgium
;
_publ_contact_author_email     lianger@chem.kuleuven.be
_publ_contact_author_fax     '+32 16 327 990'
_publ_contact_author_phone     '+32 16 327 423'
_publ_section_title
;\
Bis(di-2-pyridylamine-κ²N,N')bis(thiocyanato-κN)\
nickel(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Liliana Dobrzańska'
;
 Department of Chemistry,
 Katholieke Universiteit Leuven,
 Celestijnenlaan 200F - bus 2404,
 B-3001 Heverlee,
 Belgium
and Department of Chemistry,
 University of Stellenbosch,
 Private Bag X1, Matieland,
 South Africa
;
