Bis[bis(diphenylthiophosphinyl)amido-κ^2^<i>S</i>,<i>S</i>']platinum(II)
Güzelsoylu, Cemal; Irişli, Sevil; Büyükgüngör, Orhan; Acta Crystallographica Section E 67 (2011) m479–; doi:10.1107/S1600536811010117

data_2229731
_publ_section_title
;
 Bis[bis(diphenylthiophosphinyl)amido-\k^2^<i>S</i>,<i>S</i>']platinum(II)
;
_journal_coeditor_code           JJ2077
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m479
_journal_paper_doi               10.1107/S1600536811010117
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt (C24 H20 N P2 S2)2]'
_chemical_formula_moiety         'C48 H40 N2 P4 Pt S4'
_chemical_formula_sum            'C48 H40 N2 P4 Pt S4'
_chemical_formula_weight         1092.03
_chemical_name_systematic
;
Bis[bis(diphenylthiophosphinyl)amido-\k^2^<i>S</i>,<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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.137(3)
_cell_angle_beta                 90.496(3)
_cell_angle_gamma                115.563(3)
_cell_formula_units_Z            2
_cell_length_a                   10.1103(4)
_cell_length_b                   10.7023(4)
_cell_length_c                   23.9258(9)
_cell_measurement_reflns_used    23061
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.32
_cell_measurement_theta_min      1.72
_cell_volume                     2304.86(17)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'rotation method'
_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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            23061
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    3.400
_exptl_absorpt_correction_T_max  0.7896
_exptl_absorpt_correction_T_min  0.3022
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.560
_exptl_crystal_size_mid          0.323
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.815
_refine_diff_density_min         -0.790
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         9495
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0360P)^2^+1.3319P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0656
_reflns_number_gt                8823
_reflns_number_total             9495
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jj2077.cif
_cod_data_source_block           I
_cod_original_cell_volume        2304.86(15)
_cod_database_code               2229731
_cod_database_fobs_code          2229731