Information card for entry 7239943

Structure parameters

• Formula: C48 H116 O34 P8 Ti4
• Calculated formula: C48 H116 O34 P8 Ti4
• Title of publication: Titanium phosphonate oxo-alkoxide “clusters”: solution stability and facile hydrolytic transformation into nano titania
• Authors of publication: Svensson, Fredric G.; Daniel, Geoffrey; Tai, Cheuk-Wai; Seisenbaeva, Gulaim A.; Kessler, Vadim G.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 6873 - 6883
• a: 13.546 ± 0.014 Å
• b: 16.293 ± 0.017 Å
• c: 18.665 ± 0.02 Å
• α: 90°
• β: 97.604 ± 0.013°
• γ: 90°
• Cell volume: 4083 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No