Information card for entry 4308639

Structure parameters

• Formula: C66 H103 Al3 N4 O9
• Calculated formula: C66 H103 Al3 N4 O9
• Title of publication: Reaction of LAlH2 with tert-Butyl Hydrogenperoxide under C-H Bond Activation and Substitution Leads to the Formation of a Pentacoordinated tert-Butylperoxo Aluminum Compound
• Authors of publication: S. Shravan Kumar; Sanjay Singh; Herbert W. Roesky; Jörg Magull
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1199 - 1201
• a: 13.6221 ± 0.0009 Å
• b: 14.5119 ± 0.0008 Å
• c: 18.5448 ± 0.001 Å
• α: 89.609 ± 0.004°
• β: 80.735 ± 0.005°
• γ: 67.62 ± 0.005°
• Cell volume: 3339.7 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0892
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No