Information card for entry 2217250

Structure parameters

• Chemical name: {4,4'-Dimethoxy-2,2'- [ethylenedioxybis(nitrilomethylidyne)]diphenolato}copper(II)
• Formula: C18 H18 Cu N2 O6
• Calculated formula: C18 H18 Cu N2 O6
• SMILES: [Cu]123[N](OCCO[N]1=Cc1c(ccc(c1)OC)O3)=Cc1c(ccc(OC)c1)O2
• Title of publication: {4,4'-Dimethoxy-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenolato}copper(II)
• Authors of publication: Yin-Xia Sun; Su-Xia Gao; Jun-Yan Shi; Wen-Kui Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m226 - m226
• a: 15.453 ± 0.002 Å
• b: 7.6408 ± 0.0011 Å
• c: 15.927 ± 0.002 Å
• α: 90°
• β: 107.686 ± 0.002°
• γ: 90°
• Cell volume: 1791.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes