Information card for entry 2013894

Structure parameters

• Chemical name: octa-tert-butoxy-bis[μ~3~-2,2'-(N-methylimino)diethanolato]di-μ-oxo- tetratitanium(IV)
• Formula: C42 H94 N2 O14 Ti4
• Calculated formula: C42 H94 N2 O14 Ti4
• Title of publication: An oxo-bridged centrosymmetric tetranuclear titanium compound
• Authors of publication: Kemmitt, Tim; Gainsford, Graeme J.; Al-Salim, Najeh I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m42 - m43
• a: 9.2937 ± 0.001 Å
• b: 23.058 ± 0.003 Å
• c: 13.536 ± 0.0016 Å
• α: 90°
• β: 102.436 ± 0.002°
• γ: 90°
• Cell volume: 2832.6 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes