Information card for entry 2209969

Structure parameters

• Chemical name: Aqua(2,2'-bipyridyl)(6-carboxypyridine-2-carboxylato)copper(II) nitrate monohydrate
• Formula: C17 H16 Cu N4 O9
• Calculated formula: C17 H16 Cu N4 O9
• SMILES: [Cu]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(C(=O)O2)cccc1C(=[O]3)O)[OH2].N(=O)(=O)[O-].O
• Title of publication: Aqua(2,2'-bipyridyl)(6-carboxypyridine-2-carboxylato)copper(II) nitrate monohydrate
• Authors of publication: Xindian Dong; Zhigang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1841 - m1842
• a: 7.081 ± 0.007 Å
• b: 11.39 ± 0.012 Å
• c: 12.952 ± 0.013 Å
• α: 107.159 ± 0.013°
• β: 95.004 ± 0.013°
• γ: 104.337 ± 0.012°
• Cell volume: 952.4 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes