Information card for entry 7124245

Structure parameters

• Formula: C56 H90 N2 O16 Ti4
• Calculated formula: C56 H82 N2 O16 Ti4
• Title of publication: Bio-compatible fluorescent nano TiO materials prepared from titanium-oxo-cluster precursors
• Authors of publication: Liu, Pei-Yi; Cui, Li-Na; Yang, Lei; Shu, Xian-Ping; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.836 ± 0.002 Å
• b: 11.5845 ± 0.0014 Å
• c: 18.08 ± 0.002 Å
• α: 90°
• β: 102.343 ± 0.004°
• γ: 90°
• Cell volume: 3240.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1066
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No