Information card for entry 7124244

Structure parameters

• Formula: C78 H100 N2 O18 Ti4
• Calculated formula: C78 H100 N2 O18 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: 11.383 ± 0.002 Å
• b: 12.183 ± 0.002 Å
• c: 14.906 ± 0.003 Å
• α: 90.01 ± 0.03°
• β: 98.41 ± 0.03°
• γ: 95.11 ± 0.03°
• Cell volume: 2036.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No