Information card for entry 2212089

Structure parameters

• Chemical name: (E)-5-[(4-bromophenyl)diazenyl]-2-hydroxybenzoic dimethyltitanocene
• Formula: C25 H21 Br N2 O3 Ti
• Calculated formula: C25 H21 Br N2 O3 Ti
• Title of publication: {(<i>E</i>)-5-[(4-Bromophenyl)diazenyl]-2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^}bis(η^5^-methylcyclopentadienyl)titanium(IV)
• Authors of publication: Li, Jin-Ling; Gao, Zi-Wei; Gao, Ling-Xiang; Xu, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m460 - m461
• a: 7.834 ± 0.003 Å
• b: 7.922 ± 0.003 Å
• c: 19.867 ± 0.007 Å
• α: 89.999 ± 0.004°
• β: 79.003 ± 0.004°
• γ: 68.763 ± 0.004°
• Cell volume: 1124.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes