Information card for entry 7056887

Structure parameters

• Formula: C20 H36 Cl Ga N2 O4
• Calculated formula: C20 H36 Cl Ga N2 O4
• SMILES: [Ga]12([N](=C(C=C(O1)C)C)CCCOCC)(Cl)OC(=CC(=[N]2CCCOCC)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: 9.6212 ± 0.0002 Å
• b: 13.9767 ± 0.0003 Å
• c: 17.2781 ± 0.0005 Å
• α: 90°
• β: 91.153 ± 0.002°
• γ: 90°
• Cell volume: 2322.96 ± 0.1 ų
• Cell temperature: 99.8 ± 0.2 K
• Ambient diffraction temperature: 99.8 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No