Information card for entry 4300830

Structure parameters

• Formula: C18 H40 Al Cl N6
• Calculated formula: C18 H40 Al Cl N6
• SMILES: [Al]12(Cl)([N](=C(N1C(C)C)N(C)C)C(C)C)[N](=C(N2C(C)C)N(C)C)C(C)C
• Title of publication: The Insertion of Carbodiimides into Al and Ga Amido Linkages. Guanidinates and Mixed Amido Guanidinates of Aluminum and Gallium
• Authors of publication: Kenney, Amanda P.; Yap, Glenn P. A.; Richeson, Darrin S.; Barry, Seán T.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2926 - 2933
• a: 13.809 ± 0.004 Å
• b: 9.534 ± 0.002 Å
• c: 18.489 ± 0.004 Å
• α: 90°
• β: 98.808 ± 0.017°
• γ: 90°
• Cell volume: 2405.5 ± 1 ų
• Cell temperature: 207 ± 2 K
• Ambient diffraction temperature: 207 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No