Information card for entry 4322009

Structure parameters

• Formula: C50 H110 Li2 O10 Ti2
• Calculated formula: C50 H110 Li2 O10 Ti2
• SMILES: [Ti]12([O]([Li]34[O]1(CC(C)(C)C)[Li]1([O]2CC(C)(C)C)[O]([Ti]([O]31CC(C)(C)C)([O]4CC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C)CC(C)(C)C)CC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C
• Title of publication: Syntheses, Characterizations, and X-ray Structures of Alkali Metal Derivatives of Titanium(IV) Neopentoxides
• Authors of publication: Timothy J. Boyle; Todd M. Alam; Cory J. Tafoya; Eric R. Mechenbier; Joseph W. Ziller
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2422 - 2428
• a: 10.656 ± 0.003 Å
• b: 12.202 ± 0.005 Å
• c: 13.266 ± 0.003 Å
• α: 75.39 ± 0.02°
• β: 73.31 ± 0.02°
• γ: 71.65 ± 0.02°
• Cell volume: 1543.2 ± 0.9 ų
• Cell temperature: 158 K
• Ambient diffraction temperature: 158 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: 0.0764
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1373
• Weighted residual factors for significantly intense reflections: 0.1199
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No