Information card for entry 7056888

Structure parameters

• Formula: C12 H26 Ga N3 O
• Calculated formula: C12 H26 Ga N3 O
• SMILES: [Ga]1(OC(=CC(=[N]1C(C)C)C)C)(N(C)C)N(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: 7.7637 ± 0.0002 Å
• b: 14.6029 ± 0.0004 Å
• c: 13.3304 ± 0.0004 Å
• α: 90°
• β: 99.544 ± 0.003°
• γ: 90°
• Cell volume: 1490.38 ± 0.07 ų
• Cell temperature: 101.3 ± 0.2 K
• Ambient diffraction temperature: 101.3 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No