Information card for entry 7041046

Structure parameters

• Formula: C20 H38 N4 O2 Zn
• Calculated formula: C20 H38 N4 O2 Zn
• SMILES: CC1=[N](CCCN(C)C)[Zn]2([N](=C(C=C(C)O2)C)CCCN(C)C)OC(=C1)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: 10.6251 ± 0.0002 Å
• b: 5.4088 ± 0.0001 Å
• c: 20.367 ± 0.0003 Å
• α: 90°
• β: 102.906 ± 0.002°
• γ: 90°
• Cell volume: 1140.9 ± 0.04 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No