Information card for entry 7054959

Structure parameters

• Chemical name: Methylgallium betadiketonate
• Formula: C23 H25 Ga N2 O2
• Calculated formula: C23 H25 Ga N2 O2
• SMILES: [Ga]123(OC(=CC(=[N]2CC[N]3=C(C)C=C(O1)c1ccccc1)C)c1ccccc1)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: 7.4044 ± 0.0004 Å
• b: 13.0468 ± 0.0006 Å
• c: 21.5066 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2077.62 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No