<i>trans</i>-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane-κ<i>P</i>]platinum(II) acetone monosolvate
Vuba, Bubele; Muller, Alfred; Acta Crystallographica Section E 68 (2012) m14–m15; doi:10.1107/S1600536811051841

data_2233120
_publ_section_title
;
 <i>trans</i>-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane-\k<i>P</i>]platinum(II)
 acetone monosolvate
;
_journal_coeditor_code           CV5210
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m14
_journal_page_last               m15
_journal_paper_doi               10.1107/S1600536811051841
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pt Cl2 (C21 H33 P1)2], C3 H6 O'
_chemical_formula_moiety         'C42 H66 Cl2 P2 Pt, C3 H6 O'
_chemical_formula_sum            'C45 H72 Cl2 O P2 Pt'
_chemical_formula_weight         956.96
_chemical_name_systematic
;
<i>trans</i>-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane-
\k<i>P</i>]platinum(II) acetone monosolvate
;
_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                88.81(3)
_cell_angle_beta                 88.33(3)
_cell_angle_gamma                74.17(3)
_cell_formula_units_Z            2
_cell_length_a                   10.407(2)
_cell_length_b                   15.075(3)
_cell_length_c                   15.766(3)
_cell_measurement_reflns_used    9391
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      63.57
_cell_measurement_theta_min      6.36
_cell_volume                     2378.4(9)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2011)'
_computing_data_reduction        'SAINT and XPREP (Bruker, 2008)'
_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      293(2)
_diffrn_detector_area_resol_mean 8.4
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker APEX DUO 4K CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Incoatec Quazar Multilayer Mirror'
_diffrn_radiation_source         'Incoatec I\mS microfocus X-ray source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7557
_diffrn_reflns_theta_full        63.73
_diffrn_reflns_theta_max         63.73
_diffrn_reflns_theta_min         5.62
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.403
_exptl_absorpt_correction_T_max  0.4462
_exptl_absorpt_correction_T_min  0.4462
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(TWINABS; Bruker, 2008)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.722
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     557
_refine_ls_number_reflns         7557
_refine_ls_number_restraints     218
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.026
_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^)+(0.0238P)^2^+1.6789P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0669
_reflns_number_gt                7055
_reflns_number_total             7557
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv5210.cif
_cod_data_source_block           I
_cod_original_cell_volume        2378.5(8)
_cod_database_code               2233120
_cod_database_fobs_code          2233120