<i>cis</i>-Dichlorido(dimethyl sulfoxide-κ<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidine-κ<i>N</i>'')platinum(II)
Eliseev, Ivan I.; Bokach, Nadezhda A.; Haukka, Matti; Golenya, Irina A.; Acta Crystallographica Section E 69 (2013) m117–m118; doi:10.1107/S160053681300130X

data_2237335
_publ_section_title
;
 <i>cis</i>-Dichlorido(dimethyl
 sulfoxide-\k<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidine-\k<i>N</i>'')platinum(II)
;
_journal_coeditor_code           HG5281
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m117
_journal_page_last               m118
_journal_paper_doi               10.1107/S160053681300130X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Pt Cl2 (C5 H13 N3) (C2 H6 O S)]'
_chemical_formula_moiety         'C7 H19 Cl2 N3 O Pt S'
_chemical_formula_sum            'C7 H19 Cl2 N3 O Pt S'
_chemical_formula_weight         459.30
_chemical_name_systematic
;
<i>cis</i>-Dichlorido(dimethyl
sulfoxide-\k<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-
tetramethylguanidine)platinum(II)
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.304(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1577(5)
_cell_length_b                   19.1711(8)
_cell_length_c                   8.6536(3)
_cell_measurement_reflns_used    6239
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     1469.51(11)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2007)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12560
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.44
_exptl_absorpt_coefficient_mu    10.036
_exptl_absorpt_correction_T_max  0.2994
_exptl_absorpt_correction_T_min  0.1514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO/SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.076
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.486
_refine_diff_density_min         -1.635
_refine_ls_abs_structure_details 'Flack (1983), 1598 Friedel pairs'
_refine_ls_abs_structure_Flack   0.008(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         3280
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0225
_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^)+(0.0000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0439
_refine_ls_wR_factor_ref         0.0452
_reflns_number_gt                3044
_reflns_number_total             3280
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hg5281.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2237335
_cod_database_fobs_code          2237335