<i>cis</i>-Dichloro(di-<i>tert</i>-butylphosphine-κ<i>P</i>)(triphenylphosphine-κ<i>P</i>)platinum(II) tetrahydrofuran hemisolvate
Chojnacki, Jaroslaw; Andrzej Robaszkiewicz; Eberhard Matern; Elke Baum; Jerzy Pikies; Acta Crystallographica Section E 63 (2007) m680–m682; doi:10.1107/S1600536807005259

data_2212476
_publ_section_title
;<i>cis</i>-Dichloro(di-<i>tert</i>-butylphosphine-\k<i>P</i>)(triphenylphosphine-\k<i>P</i>)platinum(II)
 tetrahydrofuran hemisolvate
;
_journal_coeditor_code           BT2255
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m680
_journal_page_last               m682
_journal_paper_doi               10.1107/S1600536807005259
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Pt Cl2 (C8 H19 P) (C18 H15 P)] , 0.5C4 H8 O'
_chemical_formula_moiety         '2C26 H34 Cl2 P2 Pt , C4 H8 O'
_chemical_formula_sum            'C56 H76 Cl4 O P4 Pt2'
_chemical_formula_weight         1421.03
_chemical_name_systematic
;
cis-Dichloro(di-<i>tert</i>-butylphosphine-\kP)(triphenylphosphine-
\kP)platinum(II) tetrahydrofuran hemisolvate
;
_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_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 117.346(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.3384(14)
_cell_length_b                   11.9630(8)
_cell_length_c                   16.5346(14)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1.5
_cell_volume                     2870.6(5)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 1997)'
_computing_data_reduction        'XRED (Stoe & Cie, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       area-detector
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11449
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    5.203
_exptl_absorpt_correction_T_max  0.4795
_exptl_absorpt_correction_T_min  0.2776
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'(Six faces defined; X-RED; Stoe & Cie, 1997)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.768
_refine_diff_density_min         -0.947
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4926
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.024
_refine_ls_R_factor_gt           0.0192
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.032P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0462
_refine_ls_wR_factor_ref         0.0472
_reflns_number_gt                4328
_reflns_number_total             4926
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2255.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2212476
_cod_database_fobs_code          2212476