Information card for entry 2212609

Structure parameters

• Chemical name: Bis(acetato-κO)aquabis[3-(pyrazin-2-yloxy)pyridine-κN]copper(II)
• Formula: C22 H22 Cu N6 O7
• Calculated formula: C22 H22 Cu N6 O7
• SMILES: c1c(ccc[n]1[Cu]([OH2])([n]1cc(ccc1)Oc1cnccn1)(OC(=O)C)OC(=O)C)Oc1nccnc1
• Title of publication: Bis(acetato-κ<i>O</i>)aquabis[3-(pyrazin-2-yloxy)pyridine-κ<i>N</i>]copper(II)
• Authors of publication: Zhao, Hong-Yan; Shi, Jing-Min; Liu, Lian-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m824 - m825
• a: 18.472 ± 0.007 Å
• b: 5.824 ± 0.002 Å
• c: 23.788 ± 0.009 Å
• α: 90°
• β: 112.612 ± 0.006°
• γ: 90°
• Cell volume: 2362.4 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes