Information card for entry 1546172

Structure parameters

• Formula: C18 H46 Al K O2 Si3
• Calculated formula: C18 H46 Al K O2 Si3
• SMILES: C([AlH3])([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.C1CCC[O]1[K][O]1CCCC1
• Title of publication: Hydride oxidation from a titanium‒aluminum bimetallic complex: insertion, thermal and electrochemical reactivity
• Authors of publication: Brown, Alexandra C.; Altman, Alison B.; Lohrey, Trevor D.; Hohloch, Stephan; Arnold, John
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.5985 ± 0.0005 Å
• b: 13.6009 ± 0.0005 Å
• c: 16.6858 ± 0.0007 Å
• α: 106.549 ± 0.0016°
• β: 107.02 ± 0.0015°
• γ: 98.4556 ± 0.0015°
• Cell volume: 2737.85 ± 0.19 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: 0.0887
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No