Information card for entry 7056889

Structure parameters

• Formula: C27 H48 Ga N3 O6
• Calculated formula: C27 H48 Ga N3 O6
• SMILES: [Ga]123(OC(=CC(=[N]1CCOCC)C)C)(OC(=CC(=[N]2CCOCC)C)C)OC(=CC(=[N]3CCOCC)C)C
• Title of publication: Molecular engineering of Ga-ketoiminates: synthesis, structure and evaluation as precursors for the additive-free spin-coated deposition of gallium oxide thin films
• Authors of publication: O’Donoghue, Richard; Rahman, Shafiqur; Mallick, Bert; Winter, Manuela; Rogalla, Detlef; Becker, Hans-Werner; Devi, Anjana
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3196
• a: 18.4543 ± 0.0004 Å
• b: 8.6596 ± 0.0001 Å
• c: 22.4511 ± 0.0009 Å
• α: 90°
• β: 122.791 ± 0.002°
• γ: 90°
• Cell volume: 3016.12 ± 0.16 ų
• Cell temperature: 111.1 ± 0.3 K
• Ambient diffraction temperature: 111.1 ± 0.3 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: 0.0376
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No