Information card for entry 7102890

Structure parameters

• Formula: C18 H23 Li2 O25 Ti
• Calculated formula: C18 H23 Li2 O25 Ti
• Title of publication: Active peroxo titanium complexes: syntheses, characterization and their potential in the photooxidation of 2-propanol.
• Authors of publication: Rohe, Markus; Merz, Klaus
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 862 - 864
• a: 13.731 ± 0.007 Å
• b: 14.94 ± 0.009 Å
• c: 14.911 ± 0.009 Å
• α: 90°
• β: 115.474 ± 0.014°
• γ: 90°
• Cell volume: 2762 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No