Highly efficient blue-green organic light-emitting diodes achieved by controlling the anionic migration of cationic iridium(iii) complexes
Dongxin Ma; Chen Zhang; Yong Qiu; Lian Duan; Journal of Materials Chemistry C 4 (2016) 5731–5738; doi:10.1039/C6TC01302C

data_7234861
_publ_section_title
;
 Highly efficient blue-green organic light-emitting diodes achieved by
 controlling the anionic migration of cationic iridium(iii) complexes
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5731
_journal_page_last               5738
_journal_paper_doi               10.1039/C6TC01302C
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C30 H23 Ir N5, B F3.57'
_chemical_formula_sum            'C30 H23 B F3.569 Ir N5'
_chemical_formula_weight         724.39
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_Int_Tables_number      61
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.625(2)
_cell_length_b                   15.478(3)
_cell_length_c                   32.301(7)
_cell_volume                     5312.0(18)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.9929
_diffrn_measured_fraction_theta_max 0.9929
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0749
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -41
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_diffrn_reflns_theta_full        27.4912
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    5.082
_exptl_crystal_density_diffrn    1.8114
_exptl_crystal_F_000             2806.7502
_exptl_crystal_size_max          0.12
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_refine_diff_density_max         2.5036
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_refine_ls_d_res_low             16.1505
_refine_ls_goodness_of_fit_ref   1.4862
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
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_refine_ls_number_reflns         6053
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.4862
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_refine_ls_shift/su_max          2.0811
_refine_ls_shift/su_mean         0.1285
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2274
_refine_ls_wR_factor_ref         0.2510
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_reflns_limit_h_min              0
_reflns_limit_k_max              20
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_reflns_limit_l_min              0
_reflns_number_gt                5220
_reflns_number_total             6053
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-5731.cif
_cod_data_source_block           bww16033
_cod_database_code               7234861