New platinum complexes exhibiting host dependent photoluminescence as single dopants in double emitting layer, voltage independent hybrid white electroluminescence devices
Anurach Poloek; Chieh Wang; Yung-Ting Chang; Chiao-Wen Lin; Chao-Tsen Chen; Chin-Ti Chen; Journal of Materials Chemistry C 3 (2015) 11163–11177; doi:10.1039/C5TC02523K

data_7234499
_publ_section_title
;
 New platinum complexes exhibiting host dependent photoluminescence as
 single dopants in double emitting layer, voltage independent hybrid white
 electroluminescence devices
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              11163
_journal_page_last               11177
_journal_paper_doi               10.1039/C5TC02523K
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C21 H16 F2 N4 O Pt'
_chemical_formula_sum            'C21 H16 F2 N4 O Pt'
_chemical_formula_weight         573.47
_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'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 92.168(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2637(4)
_cell_length_b                   20.2483(7)
_cell_length_c                   6.9828(2)
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      2.61
_cell_volume                     1732.72(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100.0(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            48805
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         1.942
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.141
_exptl_absorpt_correction_T_max  0.9705
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS, 1996'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.198
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.778
_refine_diff_density_min         -0.546
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3543
_refine_ls_number_restraints     88
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0197
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0122P)^2^+4.2445P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0446
_refine_ls_wR_factor_ref         0.046
_reflns_number_gt                3240
_reflns_number_total             3543
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            J-Mater-Chem-C-2015-3-11163.cif
_cod_data_source_block           i15164
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7234499
_shelx_estimated_absorpt_t_min   0.194
_shelx_estimated_absorpt_t_max   0.854