Information card for entry 4311693

Structure parameters

• Common name: dibarium titanium(IV)citrate octahydrate
• Formula: C18 H32 Ba2 O29 Ti
• Calculated formula: C18 H32 Ba2 O29 Ti
• Title of publication: pH-Dependent Isolations and Spectroscopic, Structural, and Thermal Studies of Titanium Citrate Complexes
• Authors of publication: Yuan-Fu Deng; Zhao-Hui Zhou; Hui-Lin Wan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6266 - 6273
• a: 11.1605 ± 0.0011 Å
• b: 10.4522 ± 0.001 Å
• c: 26.816 ± 0.003 Å
• α: 90°
• β: 91.311 ± 0.002°
• γ: 90°
• Cell volume: 3127.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No