<i>cis</i>-(Di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)bis(thiocyanato-κ<i>S</i>)platinum(II)
Ha, Kwang; Acta Crystallographica Section E 68 (2012) m440–; doi:10.1107/S1600536812010926

data_2234426
_publ_section_title
;
 <i>cis</i>-(Di-2-pyridylamine-\k^2^<i>N</i>^2^,<i>N</i>^2'^)bis(thiocyanato-\k<i>S</i>)platinum(II)
;
_journal_coeditor_code           TK5067
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m440
_journal_paper_doi               10.1107/S1600536812010926
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pt (N C S)2 (C10 H9 N3)]'
_chemical_formula_moiety         'C12 H9 N5 Pt S2'
_chemical_formula_sum            'C12 H9 N5 Pt S2'
_chemical_formula_weight         482.45
_chemical_name_systematic
;
<i>cis</i>-(Di-2-pyridylamine-\k^2^<i>N</i>^2^,<i>N</i>^2'^)bis(thiocyanato-
\k<i>S</i>)platinum(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.292(2)
_cell_angle_beta                 93.081(2)
_cell_angle_gamma                106.123(2)
_cell_formula_units_Z            2
_cell_length_a                   7.2282(6)
_cell_length_b                   9.8308(8)
_cell_length_c                   10.2501(8)
_cell_measurement_reflns_used    3201
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.94
_cell_measurement_theta_min      2.81
_cell_volume                     695.64(10)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4195
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.381
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.811495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         3.963
_refine_diff_density_min         -1.397
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.218
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2636
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.218
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0313
_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^)+(0.0179P)^2^+8.2228P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                2391
_reflns_number_total             2636
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk5067.cif
_cod_data_source_block           I
_cod_database_code               2234426
_cod_database_fobs_code          2234426