Information card for entry 2214771

Structure parameters

• Chemical name: catena-Poly[[[aquabis(acetato-κO)copper(II)]-μ-1,3-di-4-pyridylpropane-\ κ^2^N:N'] monohydrate]
• Formula: C17 H24 Cu N2 O6
• Calculated formula: C17 H24 Cu N2 O6
• SMILES: [Cu](OC(=O)C)(OC(=O)C)([n]1ccc(cc1)CCCc1ccncc1)([OH2])[n]1ccc(CCCc2cc[n]([Cu](OC(=O)C)(OC(=O)C)[OH2])cc2)cc1.O.O
• Title of publication: <i>catena</i>-Poly[[[aquabis(acetato-κ<i>O</i>)copper(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] monohydrate]
• Authors of publication: Zhong-Xiang Du; Jun-Xia Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2133 - m2134
• a: 18.988 ± 0.003 Å
• b: 32.249 ± 0.006 Å
• c: 12.883 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7889 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes