Information card for entry 4346659

Structure parameters

• Formula: C96 H256 Cl14 N6 O32 Ti6
• Calculated formula: C96 H256 Cl14 N6 O32 Ti6
• 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: 33.2861 ± 0.0014 Å
• b: 33.2861 ± 0.0014 Å
• c: 56.069 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 62122 ± 4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.3191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No