Information card for entry 2205268

Structure parameters

• Chemical name: catena-poly[[aqua(nitrato-κ^2^O,O')copper(II)]-μ-pyrazine-2-carboxylato- κ^3^N^1^,O:N^4^]
• Formula: C5 H5 Cu N3 O6
• Calculated formula: C5 H5 Cu N3 O6
• SMILES: [Cu]12([n]3c(C(=O)O1)cncc3)(ON(=O)=[O]2)([OH2])[n]1cc2[n]([Cu]3(OC2=O)(ON(=O)=[O]3)[OH2])cc1
• Title of publication: A one-dimensional coordination polymer of copper(II) with 2-pyrazinecarboxylate
• Authors of publication: Bo Zheng; Gang Liu; Lei Gou; Dao-Yong Wang; Huai-Ming Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m499 - m501
• a: 21.027 ± 0.005 Å
• b: 6.3196 ± 0.0017 Å
• c: 13.382 ± 0.004 Å
• α: 90°
• β: 102.354 ± 0.016°
• γ: 90°
• Cell volume: 1737.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1006
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes