Information card for entry 2218690

Structure parameters

• Chemical name: <i>cis</i>-Aquadichlorido[pyrimidin-2(1H)-one-κ<i>N</i>^3^]copper(II)
• Formula: C4 H6 Cl2 Cu N2 O2
• Calculated formula: C4 H6 Cl2 Cu N2 O2
• SMILES: [Cu](Cl)(Cl)([N]1C(=O)NC=CC=1)[OH2]
• Title of publication: <i>cis</i>-Aquadichlorido[pyrimidin-2(1<i>H</i>)-one-κ<i>N</i>^3^]copper(II)
• Authors of publication: Kurawa, Mukhtar A.; Adams, Christopher J.; Orpen, A. Guy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m969
• a: 9.6104 ± 0.0004 Å
• b: 3.7942 ± 0.0002 Å
• c: 10.7375 ± 0.0004 Å
• α: 90°
• β: 107.991 ± 0.004°
• γ: 90°
• Cell volume: 372.39 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes