Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2-yl)ethanamine-κ^2^<i>P</i>,<i>N</i>}platinum(II) dichloromethane hemisolvate
Chiririwa, Haleden; Muller, Alfred; Acta Crystallographica Section E 68 (2012) m116–m117; doi:10.1107/S1600536811056108

data_2233581
_publ_section_title
;
 Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2-yl)ethanamine-\k^2^<i>P</i>,<i>N</i>}platinum(II)
 dichloromethane hemisolvate
;
_journal_coeditor_code           NR2014
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m116
_journal_page_last               m117
_journal_paper_doi               10.1107/S1600536811056108
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pt Cl2 (C25 H22 N P S)], 0.5C H2 Cl2'
_chemical_formula_moiety         'C25 H22 Cl2 N P Pt S, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C25.5 H23 Cl3 N P Pt S'
_chemical_formula_weight         707.92
_chemical_name_systematic
;
Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2-
yl)ethanamine-\k^2^<i>P</i>,<i>N</i>}platinum(II) dichloromethane hemisolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 122.751(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9635(7)
_cell_length_b                   19.0185(14)
_cell_length_c                   16.0155(9)
_cell_measurement_reflns_used    5962
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.62
_cell_volume                     2552.3(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT and XPREP (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.4
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII 4K-CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30158
_diffrn_reflns_theta_full        28.72
_diffrn_reflns_theta_max         28.72
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.971
_exptl_absorpt_correction_T_max  0.8412
_exptl_absorpt_correction_T_min  0.6466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2007)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.842
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.841
_refine_diff_density_min         -0.615
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         6593
_refine_ls_number_restraints     146
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0216P)^2^+0.6014P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0578
_reflns_number_gt                5165
_reflns_number_total             6593
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            nr2014.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C25.50 H23 Cl3 N P Pt S'
_cod_database_code               2233581
_cod_database_fobs_code          2233581