Crystal structures of dichloridopalladium(II), -platinum(II) and -rhodium(III) complexes containing 8-(diphenylphosphanyl)quinoline
Suzuki, Takayoshi; Yamaguchi, Hiroshi; Fujiki, Masayuki; Hashimoto, Akira; Takagi, Hideo D.; Acta Crystallographica Section E 71 (2015) 447–451; doi:10.1107/S2056989015006076

data_2240537
_publ_section_title
;
 Crystal structures of dichloridopalladium(II), -platinum(II) and
 -rhodium(III) complexes containing 8-(diphenylphosphanyl)quinoline
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              447
_journal_page_last               451
_journal_paper_doi               10.1107/S2056989015006076
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Pt Cl2 (C21 H16 N P)] , C H2 Cl2'
_chemical_formula_moiety         'C21 H16 Cl2 N P Pt, C H2 Cl2'
_chemical_formula_sum            'C22 H18 Cl4 N P Pt'
_chemical_formula_weight         664.23
_chemical_name_systematic
;
Dichlorido(8-diphenylphosphanylquinoline)platinum(II) dichloromethane
monosolvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 102.8447(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9280(5)
_cell_length_b                   9.2371(3)
_cell_length_c                   17.8941(6)
_cell_measurement_reflns_used    12710
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     2244.54(13)
_computing_cell_refinement
;
PROCESS-AUTO (Rigaku, 1998)
;
_computing_data_collection
;
PROCESS-AUTO (Rigaku, 1998)
;
_computing_data_reduction
;
CrystalStructure (Rigaku, 2010)
;
_computing_molecular_graphics
;
Ortep-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
SHELXL2013 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2013 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.409
_diffrn_reflns_theta_min         3.000
_exptl_absorpt_coefficient_mu    6.809
_exptl_absorpt_correction_T_max  0.7271
_exptl_absorpt_correction_T_min  0.2809
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(<i>NUMABS</i>; Rigaku, 1999)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.599
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         5081
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.0201
_refine_ls_R_factor_gt           0.0173
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0073P)^2^+3.0468P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0355
_refine_ls_wR_factor_ref         0.0366
_reflns_number_gt                4665
_reflns_number_total             5081
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            is5392sup1.cif
_cod_data_source_block           2
_cod_original_cell_volume        2244.53(13)
_cod_database_code               2240537
_cod_database_fobs_code          2240537
_shelx_estimated_absorpt_t_min   0.281
_shelx_estimated_absorpt_t_max   0.727
_shelx_hkl_checksum              82272
_shelx_res_checksum              64339
_shelxl_version_number           .2013