Information card for entry 7000996

Structure parameters

• Formula: C28 H128 N7 Nb9 O50 Ti
• Calculated formula: C28 H120 N7 Nb9 O50 Ti
• Title of publication: A new titanoniobate ion—completing the series [Nb10O28]6−, [TiNb9O28]7− and [Ti2Nb8O28]8−
• Authors of publication: Ohlin, C. André; Villa, Eric M.; Fettinger, James C.; Casey, William H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2677 - 2678
• a: 13.583 ± 0.002 Å
• b: 19.893 ± 0.004 Å
• c: 15.513 ± 0.003 Å
• α: 90.02 ± 0.002°
• β: 105.549 ± 0.002°
• γ: 89.966 ± 0.002°
• Cell volume: 4038.3 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No