Information card for entry 4306829

Structure parameters

• Formula: C41 H57 Al N2 O Ti
• Calculated formula: C41 H57 Al N2 O Ti
• Title of publication: Synthesis, Structural Characterization, Catalytic Properties, and Theoretical Study of Compounds Containing an Al-O-M (M = Ti, Hf) Core
• Authors of publication: Prabhuodeyara M. Gurubasavaraj; Swadhin K. Mandal; Herbert W. Roesky; Rainer B. Oswald; Aritra Pal; Mathias Noltemeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1056 - 1061
• a: 9.572 ± 0.002 Å
• b: 10.422 ± 0.002 Å
• c: 20.06 ± 0.003 Å
• α: 90.13 ± 0.02°
• β: 90.55 ± 0.02°
• γ: 114.14 ± 0.02°
• Cell volume: 1826 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No