Information card for entry 2211763

Structure parameters

• Chemical name: Aqua(2,2'-bipyridine-κ^2^N,N')(L-cysteato-κ^2^N,O)copper(II) dihydrate
• Formula: C13 H19 Cu N3 O8 S
• Calculated formula: C13 H19 Cu N3 O8 S
• SMILES: [Cu]12([n]3c(c4[n]2cccc4)cccc3)(OC(=O)[C@@H]([NH2]1)CS(=O)(=O)[O-])[OH2].O.O
• Title of publication: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(<small>L</small>-cysteato-κ^2^<i>N</i>,<i>O</i>)copper(II) dihydrate
• Authors of publication: Li, Hai-Ye; Huang, Fu-Ping; Jiang, Yi-Min; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m219 - m220
• a: 7.7463 ± 0.0002 Å
• b: 10.3041 ± 0.0002 Å
• c: 11.7022 ± 0.0002 Å
• α: 74.585 ± 0.008°
• β: 78.996 ± 0.008°
• γ: 74.596 ± 0.008°
• Cell volume: 860.81 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes