Incorporation of Boron, Aluminum, and Gallium Derivatives into [{Ti(η5-C5Me5)(μ-O)}3(μ3-CR)] (R = H, Me)
Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría; Inorganic Chemistry 49 (2010) 8401–8410; doi:10.1021/ic100912p

data_4316507
_publ_contact_author_address
;
Departmento de Quimica Inorganica
Universidad de Alcala
Alcala de Henares
Madrid, SP
;
_publ_contact_author_email       avelino.martin@uah.es
_publ_contact_author_fax         '34 918854683'
_publ_contact_author_name        'Martin, Avelino'
_publ_contact_author_phone       '34 918854684'
_publ_section_title
;
 Incorporation of Boron, Aluminum, and Gallium Derivatives into
 [{Ti(\h5-C5Me5)(\m-O)}3(\m3-CR)] (R = H, Me)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8401
_journal_page_last               8410
_journal_paper_doi               10.1021/ic100912p
_journal_volume                  49
_journal_year                    2010
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C32 H48 B1 Br3 O3 Ti3,(C7H8)'
_chemical_formula_sum            'C39 H56 B Br3 O3 Ti3'
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_chemical_name_systematic
;
 ?
;
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;
 Scaled and merged with Sortav
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
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;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
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;From the difference Fourier map and elemental analysis it was clear that
 two molecules of toluene crystallized in each unit cell.
 The solvent molecules presented severe disorder and it was not possible to get
 a chemical sensible model, so Squeeze procedure was applied to remove its
 contribution to the structure factors.
;
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_original_formula_sum        'C39 H56 B1 Br3 O3 Ti3'
_cod_database_code               4316507