Information card for entry 4334611

Structure parameters

• Formula: C79.2 H198 Li0.8 O78.4 Ti28.2
• Calculated formula: C79.2 H198 Li0.8 O78.4 Ti28.2
• 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: 16.388 ± 0.003 Å
• b: 16.338 ± 0.003 Å
• c: 28.333 ± 0.006 Å
• α: 91.34 ± 0.03°
• β: 94.44 ± 0.03°
• γ: 107.76 ± 0.02°
• Cell volume: 7194 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0723
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No