Information card for entry 4322010

Structure parameters

• Formula: C50 H110 K2 O10 Ti2
• Calculated formula: C50 H104 K2 O10 Ti2
• 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: 15.06 ± 0.004 Å
• b: 12.264 ± 0.003 Å
• c: 18.15 ± 0.005 Å
• α: 90°
• β: 104.903 ± 0.01°
• γ: 90°
• Cell volume: 3239.5 ± 1.5 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 163 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: 0.1574
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections: 0.3137
• Weighted residual factors for significantly intense reflections: 0.259
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No