Bis(tetraphenylphosphonium) bis[<i>N</i>-(phenylsulfonyl)dithiocarbimato-κ^2^<i>S</i>,<i>S</i>']platinate(II) monohydrate
Silvério, H. A.; Guilardi, S.; Flauzino Neto, Wilson P.; Amin, Raquel S.; Oliveira, Marcelo R. L.; Acta Crystallographica Section E 66 (2010) m971–m972; doi:10.1107/S1600536810027364

data_2227115
_publ_section_title
;
 Bis(tetraphenylphosphonium)
 bis[<i>N</i>-(phenylsulfonyl)dithiocarbimato-\k^2^<i>S</i>,<i>S</i>']platinate(II)
 monohydrate
;
_journal_coeditor_code           WM2374
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m971
_journal_page_last               m972
_journal_paper_doi               10.1107/S1600536810027364
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '(C24 H20 P)2 [Pt (C7 H5 N O2 S3)2], H2 O'
_chemical_formula_moiety
'2(C24 H20 P +), C14 H10 N2 O4 Pt S6 2-, H2 O'
_chemical_formula_sum            'C62 H52 N2 O5 P2 Pt S6'
_chemical_formula_weight         1354.45
_chemical_name_systematic
;
Bis(tetraphenylphosphonium) bis[<i>N</i>-(phenylsulfonyl)dithiocarbimato-
\k^2^<i>S</i>,<i>S</i>']platinate(II) monohydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                105.4400(10)
_cell_angle_beta                 90.9160(10)
_cell_angle_gamma                107.7770(10)
_cell_formula_units_Z            2
_cell_length_a                   9.29720(10)
_cell_length_b                   13.6482(3)
_cell_length_c                   24.4279(5)
_cell_measurement_reflns_used    45459
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      2.91
_cell_volume                     2829.11(9)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.97
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\w-scan CCD rotation images, thick slices'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            20391
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    2.811
_exptl_absorpt_correction_T_max  0.6619
_exptl_absorpt_correction_T_min  0.2747
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Becker & Coppens, 1974)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.59
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1364
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.533
_refine_diff_density_min         -1.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         10825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0261P)^2^+1.8705P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0625
_reflns_number_gt                9007
_reflns_number_total             10825
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2374.cif
_cod_data_source_block           I
_cod_database_code               2227115
_cod_database_fobs_code          2227115