Information card for entry 4083017

Structure parameters

• Formula: C22 H54 Al4 N4
• Calculated formula: C22 H54 Al4 N4
• SMILES: C1(C)=[N](CCCC[N]2=C(C)[N](CC)([Al]2(C)C)[Al](C)(C)C)[Al](C)([N]1(CC)[Al](C)(C)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: 7.7024 ± 0.0008 Å
• b: 16.6621 ± 0.0016 Å
• c: 12.4291 ± 0.0012 Å
• α: 90°
• β: 98.243 ± 0.005°
• γ: 90°
• Cell volume: 1578.6 ± 0.3 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No