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_7234500
_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         'C32 H22 F2 N4 O3 Pt'
_chemical_formula_sum            'C32 H22 F2 N4 O3 Pt'
_chemical_formula_weight         743.62
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                89.276(6)
_cell_angle_beta                 82.908(5)
_cell_angle_gamma                74.477(5)
_cell_formula_units_Z            2
_cell_length_a                   7.1554(6)
_cell_length_b                   12.9732(12)
_cell_length_c                   14.4038(13)
_cell_measurement_reflns_used    9859
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      2.85
_cell_volume                     1278.2(2)
_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  0.0816
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            57738
_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         27.103
_diffrn_reflns_theta_min         1.629
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.549
_exptl_absorpt_correction_T_max  0.9705
_exptl_absorpt_correction_T_min  0.7959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS, 1996'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_meas      ?
_exptl_crystal_description       niddle
_exptl_crystal_F_000             724
_exptl_crystal_size_max          16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.475
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         5635
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.026
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0177P)^2^+0.2658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0422
_refine_ls_wR_factor_ref         0.044
_reflns_number_gt                5112
_reflns_number_total             5635
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            J-Mater-Chem-C-2015-3-11163.cif
_cod_data_source_block           i15265
_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_database_code               7234500