<i>trans</i>-Dibromidobis(triphenylphosphane)platinum(II) chloroform monosolvate
Slawin, Alexandra M. Z.; Waddell, Paul G.; Woollins, J. Derek; Acta Crystallographica Section E 67 (2011) m722–; doi:10.1107/S1600536811016849

data_2230252
_publ_section_title
;
 <i>trans</i>-Dibromidobis(triphenylphosphane)platinum(II) chloroform
 monosolvate
;
_journal_coeditor_code           BT5541
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m722
_journal_paper_doi               10.1107/S1600536811016849
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt Br2 (C18 H15 P)2], C H Cl3'
_chemical_formula_moiety         'C36 H30 Br2 P2 Pt, C H Cl3'
_chemical_formula_sum            'C37 H31 Br2 Cl3 P2 Pt'
_chemical_formula_weight         998.82
_chemical_name_systematic
;
<i>trans</i>-Dibromidobis(triphenylphosphane)platinum(II) chloroform
monosolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 92.402(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2581(11)
_cell_length_b                   14.5375(13)
_cell_length_c                   20.1433(18)
_cell_measurement_reflns_used    14699
_cell_measurement_temperature    125(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3
_cell_volume                     3586.4(6)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection
'SCXmini Benchtop Crystallography System Software (Rigaku, 2006<i>a</i>)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_molecular_graphics    'CrystalStructure (Rigaku, 2006<i>b</i>)'
_computing_publication_material  'CrystalStructure (Rigaku, 2006<i>b</i>'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      125(2)
_diffrn_detector_area_resol_mean 6.85
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku SCXmini'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14789
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    6.48
_exptl_absorpt_correction_T_max  0.5997
_exptl_absorpt_correction_T_min  0.3642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.85
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.713
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3161
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0277
_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^)+(0.0095P)^2^+13.9423P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0469
_reflns_number_gt                2495
_reflns_number_total             3161
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5541.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2230252
_cod_database_fobs_code          2230252