Information card for entry 1551285

Structure parameters

• Chemical name: [Ti(OiPr)3(Cy2PO2)]2
• Formula: C21 H43 O5 P Ti
• Calculated formula: C21 H43 O5 P Ti
• Title of publication: Photo-redox reactivity of titanium-oxo clusters: mechanistic insight into a two-electron intramolecular process, and structural characterisation of mixed-valent Ti(III)/Ti(IV) products
• Authors of publication: Kraemer, Tobias; Tuna, Floriana; Pike, Sebastian D.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.6325 ± 0.0002 Å
• b: 13.7555 ± 0.0002 Å
• c: 14.7582 ± 0.0002 Å
• α: 92.5897 ± 0.0007°
• β: 100.7 ± 0.0007°
• γ: 93.1673 ± 0.0009°
• Cell volume: 2710.88 ± 0.07 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0866
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.1404
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No