Information card for entry 4340303

Structure parameters

• Formula: C140 H110 N2 O28 Ti6
• Calculated formula: C140 H110 N2 O28 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: 13.1671 ± 0.0016 Å
• b: 14.3262 ± 0.0017 Å
• c: 17.744 ± 0.002 Å
• α: 71.689 ± 0.004°
• β: 70.189 ± 0.004°
• γ: 87.272 ± 0.004°
• Cell volume: 2983.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No