Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.
Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael; Dalton transactions (Cambridge, England : 2003) 46 (2017) 3953–3962; doi:10.1039/c7dt00188f

data_7042111
_publ_section_title
;
 Bismuth\p arene versus bismuthhalide coordination in heterocyclic
 diorganobismuth(iii) compounds with transannular N\\rightarrow Bi
 interaction.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3953
_journal_page_last               3962
_journal_paper_doi               10.1039/c7dt00188f
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C17 H19 Bi I N O'
_chemical_formula_sum            'C17 H19 Bi I N O'
_chemical_formula_weight         589.21
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_audit_update_record
;
2017-02-14 deposited with the CCDC.
2017-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   13.8911(19)
_cell_length_c                   17.153(2)
_cell_measurement_reflns_used    4853
_cell_measurement_temperature    297(2)
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_cell_measurement_theta_min      2.24
_cell_volume                     3522.9(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
;Brandenburg, K. [or Brandenburg, K. & Putz, H., or Brandenburg, K. & Berndt,
 M.] (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
;
_computing_publication_material
; Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M. (2004).
 J. Appl. Cryst. 37, 335-338.
;
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
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;SADABS - V2.03 (Bruker 2001)was used for absorption 
correction. R(int) =  0.2272 before parameter refinement
 and 0.1156 after parameter refinement.  Ratio of minimum
 to maximum apparent transmission:  0.080159
 Lambda/2 correction factor = 0.0015
;
_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0664P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             3109
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7042110--7042119.cif.'
_cod_database_code               7042111
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_shelx_estimated_absorpt_t_min   0.098
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