Information card for entry 4340306

Structure parameters

• Formula: C84 H120 O24 Ti6
• Calculated formula: C84 H120 O24 Ti6
• Title of publication: Robust Molecular Crystals of Titanium(IV)-oxo-Carboxylate Clusters Showing Water Stability and CO2 Sorption Capability.
• Authors of publication: Hong, Keunil; Bak, Woojeong; Chun, Hyungphil
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7288 - 7293
• a: 21.821 ± 0.003 Å
• b: 21.821 ± 0.003 Å
• c: 21.821 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10390 ± 2 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.64999 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No