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_2240538
_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
'[Rh Cl2 (C21 H16 N P)2] (P F6) , 0.5C H2 Cl2, 0.5C H4 O'
_chemical_formula_moiety
'C42 H32 Cl2 N2 P2 Rh 1+, F6 P 1-, 0.5(C H2 Cl2), 0.5(C H4 O)'
_chemical_formula_sum            'C43 H35 Cl3 F6 N2 O0.5 P3 Rh'
_chemical_formula_weight         1003.90
_chemical_name_systematic
;
<i>cis</i>-Dichloridobis(8-diphenylphosphanylquinoline)rhodium(III)
hexafluoridophosphate dichloromethane/methanol hemisolvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                87.307(19)
_cell_angle_beta                 81.80(2)
_cell_angle_gamma                70.819(18)
_cell_formula_units_Z            2
_cell_length_a                   9.841(5)
_cell_length_b                   13.825(6)
_cell_length_c                   16.167(8)
_cell_measurement_reflns_used    15480
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2056.2(17)
_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
;
<i>DIRDIF99-PATTY</i> (Beurskens <i>et al.</i>,  1999)
;
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_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  0.0462
_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       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20385
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.094
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.8824
_exptl_absorpt_correction_T_min  0.8475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>ABSCOR.</i>; Rigaku, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.681
_refine_diff_density_min         -1.030
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         9338
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0640P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1121
_refine_ls_wR_factor_ref         0.1195
_reflns_number_gt                7245
_reflns_number_total             9338
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            is5392sup1.cif
_cod_data_source_block           3
_cod_database_code               2240538
_cod_database_fobs_code          2240538
_shelx_estimated_absorpt_t_min   0.858
_shelx_estimated_absorpt_t_max   0.891
_shelx_hkl_checksum              65867
_shelx_res_checksum              7986
_shelxl_version_number           .2013