Information card for entry 7027507

Structure parameters

• Formula: C30 H60 O12 Ti3
• Calculated formula: C30 H60 O12 Ti3
• Title of publication: An open chain trinuclear titanium(IV) isopropoxide species formed with the tridentate ligand cis,cis‒cyclohexane‒1,3,5-trialkoxide [C6H9O3]3−. Crystal structure of [{Ti(OPri)3}2{μ-Ti(C6H9O3-O1,O5)2}]
• Authors of publication: Corden, Jonathan P.; Errington, William; Moore, Peter; Partridge, Martin G.; Wallbridge, Malcolm G. H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2647
• a: 19.1305 ± 0.0006 Å
• b: 9.8798 ± 0.0002 Å
• c: 20.7186 ± 0.0006 Å
• α: 90°
• β: 91.66°
• γ: 90°
• Cell volume: 3914.29 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.1622
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No