Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.
Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17448–17452; doi:10.1039/c5dt02207j

data_7036234
_publ_section_title
;
 Competition between vinylidene rearrangement and 1,2-insertion of
 carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17448
_journal_page_last               17452
_journal_paper_doi               10.1039/c5dt02207j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C68 H41 B F28 Ir N O'
_chemical_formula_sum            'C68 H41 B F28 Ir N O'
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_symmetry_space_group_name_H-M   'P 1 n 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2015-03-06 deposited with the CCDC.
2015-08-20 downloaded from the CCDC.
;
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_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
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_computing_structure_solution    SIR97
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_exptl_crystal_density_method    'not measured'
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'Re-crystallisation from solvent: CH2Cl2/hexane'
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'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  4373 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.862(11)
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'w = 1/[\s^2^(Fo^2^)+(0.1292P)^2^+7.8069P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7036230--7036235.cif.'
_cod_original_cell_volume        3092.4(7)
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