Efficient green photoluminescence and electroluminescence of iridium complexes with high electron mobility.
Han, Hua-Bo; Wu, Zheng-Guang; Yan, Zhi-Ping; Zhao, Yue; Zheng, You-Xuan; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16543–16550; doi:10.1039/c8dt02961j

data_7047915
_publ_section_title
;
 Efficient green photoluminescence and electroluminescence of iridium
 complexes with high electron mobility.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16543
_journal_page_last               16550
_journal_paper_doi               10.1039/c8dt02961j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C36 H17 F12 Ir N8 O2'
_chemical_formula_weight         1013.78
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-03-19 deposited with the CCDC.
2018-10-26 downloaded from the CCDC.
;
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_cell_angle_gamma                65.3410(10)
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_cell_length_b                   10.4639(5)
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_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.186
_cell_volume                     1803.79(15)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_unetI/netI     0.0557
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.626
_diffrn_reflns_theta_min         1.093
_exptl_absorpt_coefficient_mu    3.810
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_description       block
_exptl_crystal_F_000             980
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.257
_refine_diff_density_min         -1.075
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1358
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7145
_reflns_number_total             8290
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02961j2.cif
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'Adding full bibliography for 7047914--7047915.cif.'
_cod_database_code               7047915
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              72915