Information card for entry 4334612

Structure parameters

• Formula: C77 H192.5 Na O76.9 Ti28.45
• Calculated formula: C77.004 H192.51 Na O76.9 Ti28.45
• Title of publication: Nanosized Alkali-Metal-Doped Ethoxotitanate Clusters
• Authors of publication: Yang Chen; Elzbieta Trzop; Anna Makal; Jesse D. Sokolow; Philip Coppens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4750 - 4752
• a: 16.368 ± 0.003 Å
• b: 16.391 ± 0.003 Å
• c: 28.014 ± 0.006 Å
• α: 91.44 ± 0.03°
• β: 93.98 ± 0.03°
• γ: 107.91 ± 0.03°
• Cell volume: 7126 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 0.3 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: 0.0904
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No