Information card for entry 2207172

Structure parameters

• Chemical name: Aqua(pyridine-κN)(N-salicylideneglycinato-κ^3^N,O,O')copper(II)
• Formula: C14 H14 Cu N2 O4
• Calculated formula: C14 H14 Cu N2 O4
• SMILES: [Cu]12(Oc3c(C=[N]2CC(=O)O1)cccc3)([OH2])[n]1ccccc1
• Title of publication: Aqua(pyridine-κ<i>N</i>)(<i>N</i>-salicylideneglycinato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')copper(II)
• Authors of publication: Li, Yu-Guang; Zhu, Hai-Liang; Chen, Xin-Zhi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2385 - m2387
• a: 9.6232 ± 0.0005 Å
• b: 10.8138 ± 0.0006 Å
• c: 27.219 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2832.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes