Information card for entry 7053970

Structure parameters

• Common name: Compound 10
• Formula: C12 H26 Al2 Cl4 N2
• Calculated formula: C12 H26 Al2 Cl4 N2
• SMILES: Cl[Al]1([N](=CC=[N]1C(C)(C)C)C(C)(C)C)C.Cl[Al](Cl)(Cl)C
• Title of publication: 1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides
• Authors of publication: Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 391
• a: 11.6141 ± 0.0003 Å
• b: 17.4168 ± 0.0005 Å
• c: 21.0756 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4263.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.212
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No