Information card for entry 4126915

Structure parameters

• Formula: Br2 Cs4 O83 S8 Ti12
• Calculated formula: Br2 Cs4 O78 S8 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: 13.5076 ± 0.0006 Å
• b: 16.1427 ± 0.0008 Å
• c: 21.3336 ± 0.001 Å
• α: 69.897 ± 0.003°
• β: 72.364 ± 0.003°
• γ: 67.624 ± 0.003°
• Cell volume: 3959.3 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1759
• Residual factor for significantly intense reflections: 0.1497
• Weighted residual factors for significantly intense reflections: 0.4247
• Weighted residual factors for all reflections included in the refinement: 0.4491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No