Information card for entry 2233247

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)aquacopper(II)]-μ- 5-(pyridin-3-yl)pyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^5^]
• Formula: C13 H15 Cu N3 O5
• Calculated formula: C13 H15 Cu N3 O5
• SMILES: [Cu]([n]1cc(c2cccnc2)cnc1)(OC(=O)C)(OC(=O)C)([OH2])[n]1cccc(c1)c1c[n]([Cu](OC(=O)C)(OC(=O)C)[OH2])cnc1
• Title of publication: <i>catena</i>-Poly[[bis(acetato-κ<i>O</i>)aquacopper(II)]-μ-5-(pyridin-3-yl)pyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^5^]
• Authors of publication: Sun, Ju-Feng; Hou, Gui-Ge; Dai, Xian-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m91
• a: 9.154 ± 0.002 Å
• b: 7.994 ± 0.0019 Å
• c: 10.59 ± 0.002 Å
• α: 90°
• β: 106.04 ± 0.003°
• γ: 90°
• Cell volume: 744.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes