N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.
Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.; Dalton Trans.  (2017) –; doi:10.1039/C7DT02431B

data_7043816
_publ_section_title
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 N-heterocyclic carbene adducts of the heavier group 15 tribromides.
 Normal to abnormal isomerism and bromide ion abstraction.
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02431B
_journal_year                    2017
_chemical_formula_moiety         'C27 H36 Bi Br2 N2, Al Br4, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C27.5 H37 Al Bi Br6 Cl N2'
_chemical_formula_weight         1146.46
_chemical_name_systematic
;
 [BiBr2(IPr)][AlBr4]*0.5CH2Cl2
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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2017-07-04 deposited with the CCDC.
2017-07-21 downloaded from the CCDC.
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_cell_angle_alpha                77.136(3)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
(compiled Dec  9 2014,15:38:47)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
(compiled Dec  9 2014,15:38:47)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.035
_exptl_crystal_description       block
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0620P)^2^+16.7967P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                14975
_reflns_number_total             15503
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt02431b2.cif
_cod_data_source_block           4
_cod_original_formula_sum        'C27.50 H37 Al Bi Br6 Cl N2'
_cod_database_code               7043816
_shelx_estimated_absorpt_t_min   0.125
_shelx_estimated_absorpt_t_max   0.190
_shelxl_version_number           2013-4
_shelx_res_checksum              10781