Information card for entry 2236736

Structure parameters

• Chemical name: (1-{(<i>E</i>)-[Phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]amino- κ<i>N</i>}pyrrolidin-2-one-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II)
• Formula: C18 H15 Cu N5 O S2
• Calculated formula: C18 H15 Cu N5 O S2
• Title of publication: (1-{(<i>E</i>)-[Phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]amino-κ<i>N</i>}pyrrolidin-2-one-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II)
• Authors of publication: Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1302
• a: 11.8883 ± 0.0003 Å
• b: 13.3578 ± 0.0003 Å
• c: 23.9669 ± 0.0006 Å
• α: 90°
• β: 98.596 ± 0.001°
• γ: 90°
• Cell volume: 3763.23 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes