Information card for entry 4131699

Structure parameters

• Formula: C48 H88 Al2 N4 Si2
• Calculated formula: C48 H88 Al2 N4 Si2
• SMILES: [Si]([Al]1([Al]([Si](C)(C(C)(C)C)C(C)(C)C)(C(=C1)c1ccccc1)=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)(C)(C(C)(C)C)C(C)(C)C
• Title of publication: A Stable Neutral Compound with an Aluminum-Aluminum Double Bond.
• Authors of publication: Bag, Prasenjit; Porzelt, Amelie; Altmann, Philipp J.; Inoue, Shigeyoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 41
• Pages of publication: 14384 - 14387
• a: 11.55 ± 0.0013 Å
• b: 37.053 ± 0.004 Å
• c: 26.689 ± 0.003 Å
• α: 90°
• β: 102.37 ± 0.003°
• γ: 90°
• Cell volume: 11157 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No