Information card for entry 4346658

Structure parameters

• Formula: H48 I8.5 O36 Ti8
• Calculated formula: H48 I8.5 O36 Ti8
• Title of publication: Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water.
• Authors of publication: Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4704 - 4709
• a: 12.592 ± 0.002 Å
• b: 12.592 ± 0.002 Å
• c: 28.454 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3907.2 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No