Highly efficient room-temperature phosphorescent materials with a heavy-atom effect of bromine
Xia, Youfu; Du, Yanqing; Xiang, Qian; Humphrey, Mark G.; New Journal of Chemistry 45 (2021) 4930–4933; doi:10.1039/D0NJ05713D

data_7060430
_publ_section_title
;
 Highly efficient room-temperature phosphorescent materials with a
 heavy-atom effect of bromine
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4930
_journal_page_last               4933
_journal_paper_doi               10.1039/D0NJ05713D
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C33 H27 B0 Br N2'
_chemical_formula_weight         531.47
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-08-12 deposited with the CCDC.	2021-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                93.211(3)
_cell_angle_beta                 95.761(3)
_cell_angle_gamma                108.941(3)
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_cell_length_a                   9.1202(6)
_cell_length_b                   10.5184(6)
_cell_length_c                   13.8101(8)
_cell_measurement_reflns_used    8863
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.7492
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_computing_cell_refinement       'Bruker APEX2(Bruker AXS Inc., 2015)'
_computing_data_collection       'Bruker APEX2(Bruker AXS Inc., 2015)'
_computing_data_reduction        'Bruker APEX2(Bruker AXS Inc., 2015)'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Siemens R3m'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+0.4262P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4240
_reflns_number_total             4727
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           S_b
_cod_depositor_comments
'Adding full bibliography for 7060430--7060431.cif.'
_cod_database_code               7060430
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