Information card for entry 6000471

Structure parameters

• Formula: C10 H56 N10 O29 P6 Ti3
• Calculated formula: C10 H35 N10 O29 P6 Ti3
• Title of publication: Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain
• Authors of publication: Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 203 - 207
• a: 10.18 ± 0.0006 Å
• b: 15.8992 ± 0.0009 Å
• c: 23.2271 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3759.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4000032
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No