[meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(II) as an efficient, oxidation-resistant red phosphor: spectroscopic properties and applications in organic light-emitting diodes
Che, Chi-Ming; Hou, Yuan-Jun; Chan, Michael C. W.; Guo, Jianhua; Liu, Yu; Wang, Yue; Journal of Materials Chemistry 13 (2003) 1362–1366; doi:10.1039/b212204a

data_7204583
_publ_section_title
;
 [meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(II) as an efficient,
 oxidation-resistant red phosphor: spectroscopic properties and applications
 in organic light-emitting diodes
;
_journal_coden_ASTM              JMACEP
_journal_issue                   6
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1362
_journal_page_last               1366
_journal_paper_doi               10.1039/b212204a
_journal_volume                  13
_journal_year                    2003
_chemical_formula_moiety         'C44 H8.67 F20 N4 O0.33 Pt'
_chemical_formula_sum            'C44 H8.67 F20 N4 O0.33 Pt'
_chemical_formula_weight         1173.64
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                88.309(17)
_cell_angle_beta                 88.309(17)
_cell_angle_gamma                88.309(17)
_cell_formula_units_Z            3
_cell_length_a                   14.2727(16)
_cell_length_b                   14.2727(16)
_cell_length_c                   14.2727(16)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     2903.8(6)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Shelxs-97
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Marresearch imaging plate mar300'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0697
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19190
_diffrn_reflns_theta_full        25.53
_diffrn_reflns_theta_max         25.53
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    3.764
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.482
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         3553
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0639P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0989
_reflns_number_gt                2780
_reflns_number_total             3553
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b212204a.txt
_cod_data_source_block           mar137
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7204583