Information card for entry 4069659

Structure parameters

• Formula: C46 H88 Al2 Mg O6
• Calculated formula: C46 H88 Al2 Mg O6
• SMILES: [Mg]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Al](C)(C)(C)C.[Al](C)(C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Alkaline-Earth Metal Alkylaluminate Chemistry Revisited
• Authors of publication: Michel, Olaf; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4783
• a: 14.1714 ± 0.0005 Å
• b: 18.3361 ± 0.0006 Å
• c: 19.4765 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5060.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No