Information card for entry 4083018

Structure parameters

• Formula: C16 H36 Al2 N4
• Calculated formula: C16 H36 Al2 N4
• SMILES: [Al]1([N](=C(N2C(=[N]([Al](C)(C)C)CCCC2)N1CC)C)CC)(C)C
• Title of publication: Syntheses and Structures of Bis-Amidinate‒Alane Complexes
• Authors of publication: Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2080
• a: 9.106 ± 0.0004 Å
• b: 12.767 ± 0.0005 Å
• c: 18.6329 ± 0.0007 Å
• α: 90°
• β: 103.725 ± 0.002°
• γ: 90°
• Cell volume: 2104.34 ± 0.15 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No