Mixed-ligand platinum(II) complexes containing 2-(2′-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and molecular structures in the crystals and in solution
Mori, Masatoshi; Suzuki, Takayoshi; Inorganica Chimica Acta 512 (2020) 119862–; doi:10.1016/j.ica.2020.119862

data_1564053
_publ_section_title
;
 Mixed-ligand platinum(II) complexes containing
 2-(2&#x2032;-pyridyl)phenyl and 8-quinolylphosphines: Synthesis and
 molecular structures in the crystals and in solution
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119862
_journal_paper_doi               10.1016/j.ica.2020.119862
_journal_volume                  512
_journal_year                    2020
_chemical_formula_moiety         'C32 H24 N2 P Pt 1+, C F3 O3 S 1-'
_chemical_formula_sum            'C33 H24 F3 N2 O3 P Pt S'
_chemical_formula_weight         811.66
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                64.820(4)
_cell_angle_beta                 77.791(3)
_cell_angle_gamma                70.929(4)
_cell_formula_units_Z            2
_cell_length_a                   9.2877(3)
_cell_length_b                   13.2977(9)
_cell_length_c                   14.0554(9)
_cell_measurement_reflns_used    13059
_cell_measurement_temperature    188(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      3.01
_cell_volume                     1479.40(16)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'ORTEP-3 for win'
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      188(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.981
_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  0.0680
_diffrn_reflns_av_unetI/netI     0.0881
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14529
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.010
_exptl_absorpt_coefficient_mu    4.925
_exptl_absorpt_correction_T_max  0.612
_exptl_absorpt_correction_T_min  0.352
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.967
_refine_diff_density_min         -1.449
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6654
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0364
_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^)+(0.0230P)^2^+0.1735P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0911
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6122
_reflns_number_total             6654
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            complex2.cif
_cod_data_source_block           MMPt2
_cod_original_cell_volume        1479.40(15)
_cod_database_code               1564053
_shelx_estimated_absorpt_t_min   0.243
_shelx_estimated_absorpt_t_max   0.639
_shelxl_version_number           2013-4
_shelx_res_checksum              46238
_shelx_hkl_checksum              17650