<i>cis</i>-Dichloridobis{[4-(dimethylamino)phenyl]diphenylphosphane-κ<i>P</i>}platinum(II) ethyl acetate monosolvate
Muller, Alfred; Meijboom, Reinout; Acta Crystallographica Section E 67 (2011) m1353–; doi:10.1107/S1600536811035628

data_2232033
_publ_section_title
;
 <i>cis</i>-Dichloridobis{[4-(dimethylamino)phenyl]diphenylphosphane-\k<i>P</i>}platinum(II)
 ethyl acetate monosolvate
;
_journal_coeditor_code           RK2293
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1353
_journal_paper_doi               10.1107/S1600536811035628
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt Cl2 (C20 H20 P)2], C4 H8 O2'
_chemical_formula_moiety         'C40 H40 Cl2 N2 P2 Pt, C4 H8 O2'
_chemical_formula_sum            'C44 H48 Cl2 N2 O2 P2 Pt'
_chemical_formula_weight         964.76
_chemical_name_systematic
;
<i>cis</i>-Dichloridobis{[4-(dimethylamino)phenyl]diphenylphosphane-
\k<i>P</i>}platinum(II) ethyl acetate monosolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 104.732(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8148(7)
_cell_length_b                   19.1072(11)
_cell_length_c                   18.5668(13)
_cell_measurement_reflns_used    3702
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.57
_cell_measurement_theta_min      2.51
_cell_volume                     4053.6(4)
_computing_cell_refinement       '<i>SAINT-Plus</i> (Bruker, 2004)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2005)'
_computing_data_reduction
'<i>SAINT-Plus</i> (Bruker, 2004) and <i>XPREP</i> (Bruker, 2004)'
_computing_molecular_graphics    '<i>DIAMOND</i> (Brandenburg & Putz, 2005)'
_computing_publication_material  '<i>WinGX</i> (Farrugia, 1999)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SIR97</i> (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker X8 APEXII 4K KappaCCD'
_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  0.1429
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            47227
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.712
_exptl_absorpt_correction_T_max  0.8657
_exptl_absorpt_correction_T_min  0.6245
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2004)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.53
_refine_diff_density_min         -1.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         10080
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1277
_refine_ls_R_factor_gt           0.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0541P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1443
_reflns_number_gt                6044
_reflns_number_total             10080
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            rk2293.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2232033
_cod_database_fobs_code          2232033