Information card for entry 7024743

Structure parameters

• Formula: C86 H131 N6 O12.5 Ti3
• Calculated formula: C86 H131 N6 O12.5 Ti3
• Title of publication: Markedly different cytotoxicity of the two enantiomers of C(2)-symmetrical Ti(IV) phenolato complexes; mechanistic implications.
• Authors of publication: Manna, Cesar M.; Tshuva, Edit Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1182 - 1184
• a: 16.003 ± 0.002 Å
• b: 16.419 ± 0.002 Å
• c: 18.826 ± 0.003 Å
• α: 71.809 ± 0.002°
• β: 75.644 ± 0.002°
• γ: 76.478 ± 0.002°
• Cell volume: 4486.4 ± 1.1 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1989
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2546
• Weighted residual factors for all reflections included in the refinement: 0.2979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No