Information card for entry 4126909

Structure parameters

• Formula: C18 Cl17 Cs3 N6 O78 Ti12
• Calculated formula: C18 Cl17 Cs3 N6 O78 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: 18.4438 ± 0.0012 Å
• b: 18.4438 ± 0.0012 Å
• c: 62.155 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18311 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2864
• Weighted residual factors for all reflections included in the refinement: 0.2883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No