Information card for entry 2213185

Structure parameters

• Chemical name: catena-Poly[[[aquacopper(II)]-μ-[(E)-2-(4-oxopentan-2-ylideneamino)benzoato- κ^4^O,N,O':O''] monohydrate]
• Formula: C12 H15 Cu N O5
• Calculated formula: C12 H15 Cu N O5
• SMILES: [Cu]12([N](c3c(cccc3)C(=O)O2)=C(C)C=C(C)O1)([OH2])[O]=C1c2ccccc2[N]2[Cu]([OH2])(OC(=CC=2C)C)O1.O.O
• Title of publication: <i>catena</i>-Poly[[[aquacopper(II)]-μ-[(<i>E</i>)-2-(4-oxopentan-2-ylideneamino)benzoato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']] monohydrate]
• Authors of publication: Minna Cao; Shao-Min Shi; Fei-Hua Luo; Cui-Xia Cheng; Zong-Qiu Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1494 - m1494
• a: 8.1933 ± 0.0007 Å
• b: 8.8144 ± 0.0007 Å
• c: 35.209 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2542.8 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes