Information card for entry 4126910

Structure parameters

• Formula: Cl8 Cs8 O66 S6 Ti12
• Calculated formula: Cl8 Cs8 O66 S6 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: 13.909 ± 0.003 Å
• b: 17.333 ± 0.004 Å
• c: 20.456 ± 0.004 Å
• α: 90°
• β: 105.254 ± 0.003°
• γ: 90°
• Cell volume: 4757.9 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.1774
• Residual factor for significantly intense reflections: 0.1522
• Weighted residual factors for significantly intense reflections: 0.3659
• Weighted residual factors for all reflections included in the refinement: 0.3821
• 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