Information card for entry 4311694

Structure parameters

• Common name: Ammonium barium titanium(IV) citrate
• Formula: C36 H85 Ba3 N7 O57 Ti2
• Calculated formula: C36 H63 Ba3 N7.02 O57 Ti2
• 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: 14.7993 ± 0.0006 Å
• b: 14.799 Å
• c: 9.4457 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1791.59 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No