Information card for entry 2229114

Structure parameters

• Chemical name: (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')chlorido(DL-threoninato-κ^2^<i>N</i>,<i>O</i>^1^)copper(II) monohydrate
• Formula: C14 H18 Cl Cu N3 O4
• Calculated formula: C14 H18 Cl Cu N3 O4
• SMILES: [Cu]12(Cl)(OC(=O)[C@H]([NH2]2)[C@@H](O)C)[n]2ccccc2c2[n]1cccc2.O.[Cu]12(Cl)(OC(=O)[C@@H]([NH2]2)[C@H](O)C)[n]2ccccc2c2[n]1cccc2.O
• Title of publication: (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')chlorido(<small>DL</small>-threoninato-κ^2^<i>N</i>,<i>O</i>^1^)copper(II) monohydrate
• Authors of publication: Tan, Yi-Han; Teoh, Siang-Guan; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m262
• a: 7.4825 ± 0.0001 Å
• b: 12.0378 ± 0.0002 Å
• c: 18.2083 ± 0.0003 Å
• α: 90°
• β: 99.097 ± 0.001°
• γ: 90°
• Cell volume: 1619.44 ± 0.04 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes