Information card for entry 7005846

Structure parameters

• Formula: C18 H38 Al Cl N4
• Calculated formula: C18 H38 Al Cl N4
• SMILES: [Al]12(Cl)([N](C(C)C)=C(CC)N1C(C)C)[N](C(C)C)=C(CC)N2C(C)C
• Title of publication: Theoretical and experimental investigations of ligand exchange in guanidinate ligand systems for group 13 metals.
• Authors of publication: Brazeau, Allison L.; DiLabio, Gino A.; Kreisel, Kevin A.; Monillas, Wesley; Yap, Glenn P. A.; Barry, Seán T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3297 - 3304
• a: 18.821 ± 0.003 Å
• b: 8.0375 ± 0.0013 Å
• c: 15.06 ± 0.003 Å
• α: 90°
• β: 104.269 ± 0.002°
• γ: 90°
• Cell volume: 2207.9 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No