Information card for entry 7054961

Structure parameters

• Chemical name: Aluminium isopropoxide betadiketonate
• Formula: C15 H25 Al N2 O3
• Calculated formula: C15 H25 Al N2 O3
• SMILES: [Al]123(OC(=CC(=[N]2CC[N]3=C(C)C=C(O1)C)C)C)OC(C)C
• Title of publication: Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition
• Authors of publication: Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6585
• a: 14.0647 ± 0.0004 Å
• b: 14.4468 ± 0.0004 Å
• c: 15.8435 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3219.24 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0568
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No