Information card for entry 2206675

Structure parameters

• Chemical name: Aqua(2,2'-bipyridine-κ^2^N,N')(L-malato-κ^3^O,O',O'')copper(II)
• Formula: C14 H14 Cu N2 O6
• Calculated formula: C14 H14 Cu N2 O6
• SMILES: [Cu]123(OC(=O)[C@@H]([OH]1)CC(=O)O2)([OH2])[n]1ccccc1c1[n]3cccc1
• Title of publication: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(<small>L</small>-malato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II)
• Authors of publication: He, Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1752 - m1754
• a: 10.4874 ± 0.0006 Å
• b: 6.5998 ± 0.0003 Å
• c: 10.7986 ± 0.0004 Å
• α: 90°
• β: 106.57 ± 0.002°
• γ: 90°
• Cell volume: 716.38 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes