Information card for entry 2235009

Structure parameters

• Chemical name: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({2-[(piperidin-2- ylmethyl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)) monohydrate
• Formula: C30 H44 Cu2 N4 O8
• Calculated formula: C30 H44 Cu2 N4 O8
• SMILES: CC(=O)[O]1[Cu]23(Oc4ccccc4C=[N]2C[C@H]2[N@H]3CCCC2)[O]([Cu]231Oc1ccccc1C=[N]2C[C@@H]1[N@@H]3CCCC1)C(=O)C.O.O
• Title of publication: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({2-[(piperidin-2-ylmethyl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)) monohydrate
• Authors of publication: Wang, Xiao-qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m833
• a: 8.7725 ± 0.0018 Å
• b: 8.8259 ± 0.0018 Å
• c: 11.894 ± 0.002 Å
• α: 101.98 ± 0.03°
• β: 101.04 ± 0.03°
• γ: 110.13 ± 0.03°
• Cell volume: 810.4 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes