Information card for entry 7703975

Structure parameters

• Formula: C48 H192 N16 O144 S24 Ti16
• Calculated formula: C48 H192 N16 O144 S24 Ti16
• 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: 13.7675 ± 0.0002 Å
• b: 13.7675 ± 0.0002 Å
• c: 20.9391 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3968.88 ± 0.11 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No