<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)
Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W.; IUCrData 5 (2020) x200980–; doi:10.1107/S2414314620009803

data_1558688
_publ_section_title
;
 <i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)
;
_journal_coeditor_code           BV4032
_journal_issue                   7
_journal_name_full               IUCrData
_journal_page_first              x200980
_journal_paper_doi               10.1107/S2414314620009803
_journal_volume                  5
_journal_year                    2020
_chemical_formula_iupac          '[Pt (C4 N2 S2)2 (N H3)2]'
_chemical_formula_moiety         'C8 H6 N6 Pt S4'
_chemical_formula_sum            'C8 H6 N6 Pt S4'
_chemical_formula_weight         509.52
_chemical_name_systematic
;
<i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_cell_angle_alpha                90
_cell_angle_beta                 95.935(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.1778(3)
_cell_length_b                   7.7700(4)
_cell_length_c                   14.8862(7)
_cell_measurement_reflns_used    5207
_cell_measurement_temperature    100.02(11)
_cell_measurement_theta_max      29.6570
_cell_measurement_theta_min      2.7420
_cell_volume                     710.73(6)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2019)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2019)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2019)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
ShelXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
ShelXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.02(11)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8027
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.100
_diffrn_reflns_theta_min         2.751
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    10.452
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2019)
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_density_diffrn    2.381
_exptl_crystal_description       plate
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.623
_refine_diff_density_min         -0.543
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     89
_refine_ls_number_reflns         1556
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0202
_refine_ls_R_factor_gt           0.0168
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0154P)^2^+0.3678P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0373
_refine_ls_wR_factor_ref         0.0383
_reflns_number_gt                1375
_reflns_number_total             1556
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bv4032sup1.cif
_cod_data_source_block           I
_cod_database_code               1558688
_shelx_hkl_checksum              57940
_shelx_res_checksum              3792
_cod_database_fobs_code 1558688