Information card for entry 7041045

Structure parameters

• Formula: C18 H32 N2 O4 Zn
• Calculated formula: C18 H32 N2 O4 Zn
• SMILES: C1(=CC(C)=[N]([Zn]2(O1)[N](=C(C=C(C)O2)C)CCOCC)CCOCC)C
• Title of publication: Systematic molecular engineering of Zn-ketoiminates for application as precursors in atomic layer depositions of zinc oxide.
• Authors of publication: O' Donoghue, Richard; Peeters, Daniel; Rogalla, Detlef; Becker, Hans-Werner; Rechmann, Julian; Henke, Sebastian; Winter, Manuela; Devi, Anjana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 19012 - 19023
• a: 13.2557 ± 0.0004 Å
• b: 5.8905 ± 0.0001 Å
• c: 13.9479 ± 0.0006 Å
• α: 90°
• β: 106.615 ± 0.003°
• γ: 90°
• Cell volume: 1043.62 ± 0.06 ų
• Cell temperature: 105.5 ± 0.8 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No