Information card for entry 2212312

Structure parameters

• Chemical name: catena-poly[[aquabis(acetato-κO)copper(II)]-μ-3,3'-bipyridine-κ^2^N:N']
• Formula: C14 H16 Cu N2 O5
• Calculated formula: C14 H16 Cu N2 O5
• SMILES: [Cu](OC(=O)C)([OH2])(OC(=O)C)([n]1cc(ccc1)c1cnccc1)[n]1cc(c2c[n]([Cu](OC(=O)C)([OH2])OC(=O)C)ccc2)ccc1
• Title of publication: A one-dimensional coordination polymer incorporating a less common bipyridine isomer: <i>catena</i>-poly[[bis(acetato-κ<i>O</i>)aquacopper(II)]-μ-3,3'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Desciak, Matthew; Rarig Jr, Randy S.; Zubieta, Jon; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m435 - m437
• a: 9.1991 ± 0.0004 Å
• b: 15.7677 ± 0.0007 Å
• c: 10.5419 ± 0.0005 Å
• α: 90°
• β: 105.656 ± 0.001°
• γ: 90°
• Cell volume: 1472.36 ± 0.12 ų
• Cell temperature: 94 ± 2 K
• Ambient diffraction temperature: 94 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes