Information card for entry 7243266

Structure parameters

• Formula: C96 H96 O24 Ti6
• Calculated formula: C96 H96 O24 Ti6
• Title of publication: Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
• Authors of publication: Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 40
• Pages of publication: 25068 - 25078
• a: 12.19 ± 0.0015 Å
• b: 13.515 ± 0.002 Å
• c: 15.26 ± 0.003 Å
• α: 107.574 ± 0.013°
• β: 92.097 ± 0.013°
• γ: 105.434 ± 0.011°
• Cell volume: 2291.5 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No