Information card for entry 2208628

Structure parameters

• Chemical name: Aquamaleato(2,2^'^-bipyridine)copper(II) dihydrate
• Formula: C14 H16 Cu N2 O7
• Calculated formula: C14 H16 Cu N2 O7
• SMILES: [Cu]12(OC(=O)C=CC(=O)O1)([OH2])[n]1ccccc1c1[n]2cccc1.O.O
• Title of publication: Aqua(2,2'-bipyridine)maleatocopper(II) dihydrate
• Authors of publication: Li, Ming-Tian; Wang, Cheng-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m916 - m918
• a: 8.9793 ± 0.0018 Å
• b: 22.487 ± 0.005 Å
• c: 7.7187 ± 0.0015 Å
• α: 90°
• β: 95.62 ± 0.03°
• γ: 90°
• Cell volume: 1551 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes