Information card for entry 2007938

Structure parameters

• Chemical name: (Maleate)(aqua)(4,4'dimethyl-2,2'-bipyridine) copper(II) dihydrate
• Formula: C15 H20 Cu N2 O7
• Calculated formula: C15 H20 Cu N2 O7
• SMILES: c1cc(cc2[n]1[Cu]1(OC(=O)CC(=O)O1)([OH2])[n]1ccc(cc21)C)C.O.O
• Title of publication: Aqua(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Dihydrate
• Authors of publication: Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1848 - 1850
• a: 6.978 ± 0.0001 Å
• b: 17.156 ± 0.003 Å
• c: 13.996 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1675.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No