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_7036235
_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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_space_group_IT_number           14
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_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_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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_cell_measurement_theta_max      31.28
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_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
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_computing_structure_solution    SIR97
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_diffrn_measurement_device_type  'Rigaku Saturn724'
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_diffrn_radiation_type           'Mo K\a'
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_exptl_absorpt_coefficient_mu    2.173
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_exptl_crystal_colour            red
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'Re-crystallisation from solvent: CH2Cl2/hexane'
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'w = 1/[\s^2^(Fo^2^)+(0.0458P)^2^+20.8505P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                13049
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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'Adding full bibliography for 7036230--7036235.cif.'
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