Syntheses and photophysical properties of optical-active blue-phosphorescent iridium complexes bearing asymmetric tridentate ligands
Ashizawa, Misa; Yang, Lifen; Kobayashi, Katsuaki; Sato, Hisako; Yamagishi, Akihiko; Okuda, Fumio; Harada, Takunori; Kuroda, Reiko; Haga, Masa-aki; Dalton Transactions  (2009) 1700–1702; doi:10.1039/b820821m

data_7000661
_publ_section_title
;
 Syntheses and photophysical properties of optical-active
 blue-phosphorescent iridium complexes bearing asymmetric tridentate
 ligands
;
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              1700
_journal_page_last               1702
_journal_paper_doi               10.1039/b820821m
_journal_year                    2009
_chemical_formula_moiety         'C26 H17 Cl F3 Ir N4 '
_chemical_formula_sum            'C26 H17 Cl F3 Ir N4'
_chemical_formula_weight         670.12
_space_group_IT_number           14
_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'
_cell_angle_alpha                90
_cell_angle_beta                 112.47(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.58(2)
_cell_length_b                   26.16(3)
_cell_length_c                   10.75(2)
_cell_measurement_reflns_used    91
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      1.6
_cell_volume                     2230(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_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.894
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.073
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20175
_diffrn_reflns_theta_full        31.70
_diffrn_reflns_theta_max         31.70
_exptl_absorpt_coefficient_mu    6.172
_exptl_absorpt_correction_T_max  0.539
_exptl_absorpt_correction_T_min  0.147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.996
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             1288.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.34
_refine_diff_density_min         -2.49
_refine_ls_extinction_coef       20(2)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4938
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.8860\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0432
_reflns_number_gt                4898
_reflns_number_total             6753
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b820821m.txt
_cod_data_source_block           '__20070621'
_cod_original_formula_sum        'C26 H17 Cl F3 Ir N4 '
_cod_database_code               7000661