Information card for entry 2221466

Structure parameters

• Chemical name: {6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}zinc(II) monohydrate
• Formula: C20 H24 N2 O5 Zn
• Calculated formula: C20 H24 N2 O5 Zn
• SMILES: c12C=[N]3CC[N]4[Zn]3(Oc1c(OCC)ccc2)Oc1c(cccc1C=4)OCC.O
• Title of publication: {6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}zinc(II) monohydrate
• Authors of publication: Shen, Yong-Miao; Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m444
• a: 12.6512 ± 0.0016 Å
• b: 19.986 ± 0.003 Å
• c: 7.8708 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1990.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes