Information card for entry 7016937

Structure parameters

• Formula: C40 H50 Cl4 N4 O7.5 Ti2
• Calculated formula: C40 H50 Cl4 N4 O7.5 Ti2
• Title of publication: Major impact of N-methylation on cytotoxicity and hydrolysis of salan Ti(IV) complexes: sterics and electronics are intertwined.
• Authors of publication: Meker, Sigalit; Manna, Cesar M.; Peri, Dani; Tshuva, Edit Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9802 - 9809
• a: 13.0593 ± 0.0013 Å
• b: 23.948 ± 0.002 Å
• c: 15.3506 ± 0.0016 Å
• α: 90°
• β: 95.966 ± 0.002°
• γ: 90°
• Cell volume: 4774.8 ± 0.8 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No