Information card for entry 4069657

Structure parameters

• Formula: C24 H56 Al2 Ca O2
• Calculated formula: C24 H56 Al2 Ca O2
• SMILES: C(C)[Al](CC)(CC)[CH2](C)[Ca]([O]1CCCC1)([O]1CCCC1)[CH2](C)[Al](CC)(CC)CC
• 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: 14.7336 ± 0.0008 Å
• b: 14.5164 ± 0.0008 Å
• c: 14.3334 ± 0.0008 Å
• α: 90°
• β: 98.076 ± 0.001°
• γ: 90°
• Cell volume: 3035.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No