<i>cis</i>-Bis(amidinothioureato-κ^2^<i>N,N</i>')nickel(II)
Kabir, Md. Khayrul; Yamada, Koichi; Adachi, Keiichi; Kondo, Mitsuru; Kawata, Satoshi; Acta Crystallographica Section E 58 (2002) m580–m582; doi:10.1107/S1600536802017038

data_2201583
_publ_section_title
;
 <i>cis</i>-Bis(amidinothioureato-\k^2^<i>N,N</i>')nickel(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m580
_journal_page_last               m582
_journal_paper_doi               10.1107/S1600536802017038
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ni (C2 H5 N4 S)2]'
_chemical_formula_moiety         'C4 H10 N8 Ni S2'
_chemical_formula_sum            'C4 H10 N8 Ni S2'
_chemical_formula_weight         293.03
_chemical_name_systematic
;
cis-bis(amidinothioureato-N,N)~2~Nickel(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.732(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.804(2)
_cell_length_b                   7.8988(14)
_cell_length_c                   9.1216(13)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      10
_cell_measurement_theta_min      2.5
_cell_volume                     990.8(3)
_computing_cell_refinement       'Please provide software and reference'
_computing_data_collection       'Please provide software and reference'
_computing_data_reduction        'Please provide software and reference'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  MXC3
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0130
_diffrn_reflns_av_sigmaI/netI    208.1617
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1257
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.359
_exptl_absorpt_correction_T_max  0.790
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.964
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.803
_refine_diff_density_min         -0.657
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     84
_refine_ls_number_reflns         1140
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0696P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1336
_reflns_number_gt                906
_reflns_number_total             1141
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob6178.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2201583
_cod_database_fobs_code          2201583