<i>cis</i>-Bis(benzyldiphenylphosphane-κ<i>P</i>)dichloridoplatinum(II) dichloromethane sesquisolvate
Davis, Wade L.; Meijboom, Reinout; Acta Crystallographica Section E 67 (2011) m1800–; doi:10.1107/S1600536811049269

data_2232824
_publ_section_title
;
 <i>cis</i>-Bis(benzyldiphenylphosphane-\k<i>P</i>)dichloridoplatinum(II)
 dichloromethane sesquisolvate
;
_journal_coeditor_code           KP2365
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1800
_journal_paper_doi               10.1107/S1600536811049269
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt Cl2 (C19 H17 P)2]2, 3C H2 Cl2'
_chemical_formula_moiety         '2(C38 H34 Cl2 P2 Pt), 3(C H2 Cl2)'
_chemical_formula_sum            'C79 H74 Cl10 P4 Pt2'
_chemical_formula_weight         1891.92
_chemical_name_systematic
;
<i>cis</i>-Bis(benzyldiphenylphosphane-\k<i>P</i>)dichloridoplatinum(II)
dichloromethane sesquisolvate
;
_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                108.079(2)
_cell_angle_beta                 100.438(2)
_cell_angle_gamma                99.438(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4087(9)
_cell_length_b                   18.6187(14)
_cell_length_c                   19.3802(15)
_cell_measurement_reflns_used    9569
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.42
_cell_measurement_theta_min      2.29
_cell_volume                     3740.4(5)
_computing_cell_refinement       'SAINT (Bruker 2008)'
_computing_data_collection       'APEX2 (Bruker 2010)'
_computing_data_reduction        'SAINT (Bruker 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material
'publCIF (Westrip, 2010) and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare, <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.4
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX DUO 4K CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            101998
_diffrn_reflns_theta_full        28.43
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         1.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.223
_exptl_absorpt_correction_T_max  0.5514
_exptl_absorpt_correction_T_min  0.3952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.68
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1867.5
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.595
_refine_diff_density_min         -1.552
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     866
_refine_ls_number_reflns         18701
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0192P)^2^+8.2100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0471
_refine_ls_wR_factor_ref         0.0486
_reflns_number_gt                17589
_reflns_number_total             18701
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kp2365.cif
_cod_data_source_block           I
_cod_database_code               2232824
_cod_database_fobs_code          2232824