Information card for entry 4126914

Structure parameters

• Formula: C18 Cl17 Cs3 N6 O61 Ti12
• Calculated formula: C18 Cl17 Cs3 N6 O61 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: 13.353 ± 0.004 Å
• b: 13.748 ± 0.004 Å
• c: 14.803 ± 0.005 Å
• α: 88.866 ± 0.004°
• β: 80.517 ± 0.004°
• γ: 80.172 ± 0.004°
• Cell volume: 2640.9 ± 1.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No