Information card for entry 7028477

Structure parameters

• Formula: C81.2 H206 Mn O78.6 Ti28
• Calculated formula: C81.2 H204 Mn O78.6 Ti28
• Title of publication: A novel manganese-doped large polyoxotitanate nanocluster.
• Authors of publication: Chen, Yang; Trzop, Elzbieta; Makal, Anna; Chen, Yu-Sheng; Coppens, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 3839 - 3841
• a: 16.4916 ± 0.0014 Å
• b: 16.389 ± 0.0014 Å
• c: 28.717 ± 0.002 Å
• α: 89.854 ± 0.002°
• β: 97.37 ± 0.002°
• γ: 107.859 ± 0.002°
• Cell volume: 7321.1 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 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: 0.0958
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No