Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand.
Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki; Physical chemistry chemical physics : PCCP 20 (2017) 542–552; doi:10.1039/c7cp06944h

data_7229617
_publ_section_title
;
 Photokinetic study on remarkable excimer phosphorescence from
 heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated
 2-phenylpyridinate ligand.
;
_journal_issue                   1
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              542
_journal_page_last               552
_journal_paper_doi               10.1039/c7cp06944h
_journal_volume                  20
_journal_year                    2017
_chemical_formula_moiety         'C23 H17 F2 N O3 Pt '
_chemical_formula_sum            'C23 H17 F2 N O3 Pt'
_chemical_formula_weight         588.48
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2017-10-05 deposited with the CCDC.
2017-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.866(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.922(3)
_cell_length_b                   12.312(2)
_cell_length_c                   14.055(3)
_cell_measurement_reflns_used    6310
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      30.7
_cell_measurement_theta_min      1.7
_cell_volume                     2002.9(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.892
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17067
_diffrn_reflns_theta_full        30.67
_diffrn_reflns_theta_max         30.67
_exptl_absorpt_coefficient_mu    7.021
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1128.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.36
_refine_diff_density_min         -1.83
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     288
_refine_ls_number_reflns         4319
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    11.3147    -0.0478    8.1253
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0431
_reflns_number_gt                4319
_reflns_number_total             5540
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c7cp06944h2.cif
_cod_data_source_block           '__Pt-1c'
_cod_depositor_comments
'Adding full bibliography for 7229615--7229617.cif.'
_cod_original_formula_sum        'C23 H17 F2 N O3 Pt '
_cod_database_code               7229617