Information card for entry 7703977

Structure parameters

• Formula: C72 H224 Cl3 N18 O90 S17 Ti8
• Calculated formula: C72 H224 Cl3 N18 O90 S17 Ti8
• Title of publication: Effects of organic ammonium cations on the isolation of {Ti₄} cyclic clusters from water: an ¹⁷O NMR study.
• Authors of publication: Liu, Weiming; Liu, Caiyun; Wu, Wenli; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5957 - 5964
• a: 15.4295 ± 0.0004 Å
• b: 17.3585 ± 0.0005 Å
• c: 18.1126 ± 0.0004 Å
• α: 109.769 ± 0.002°
• β: 90.193 ± 0.002°
• γ: 109.105 ± 0.002°
• Cell volume: 4278.2 ± 0.2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1876
• Residual factor for significantly intense reflections: 0.1504
• Weighted residual factors for significantly intense reflections: 0.3949
• Weighted residual factors for all reflections included in the refinement: 0.4155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No