Information card for entry 4126913

Structure parameters

• Formula: C18 Cl18 N6 O79 Rb3 Ti12
• Calculated formula: C18 Cl17.975 N6 O69 Rb3 Ti12
• Title of publication: Titanium-Oxide Host Clusters with Exchangeable Guests.
• Authors of publication: Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 18.3578 ± 0.0007 Å
• b: 18.3578 ± 0.0007 Å
• c: 62.096 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18123.2 ± 1.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.3546
• Weighted residual factors for all reflections included in the refinement: 0.3685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No