Information card for entry 2215013

Structure parameters

• Chemical name: Dichlorido(dimethyl sulfoxide-κO)(1,10-phenanthroline-5,6-dione-κ^2^N,N')copper(II) dimethyl sulfoxide monohydrate
• Formula: C16 H20 Cl2 Cu N2 O5 S2
• Calculated formula: C16 H20 Cl2 Cu N2 O5 S2
• SMILES: [Cu]1(Cl)(Cl)([n]2cccc3C(=O)C(=O)c4ccc[n]1c4c23)[O]=S(C)C.S(=O)(C)C.O
• Title of publication: Dichlorido(dimethyl sulfoxide-κ<i>O</i>)(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')copper(II) dimethyl sulfoxide monohydrate
• Authors of publication: Guang-Jun Xu; Ming-Jin Xie; Li Feng; Shi-Ping Yan; Dai-Zheng Liao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2313 - m2313
• a: 7.213 ± 0.002 Å
• b: 13.285 ± 0.004 Å
• c: 13.316 ± 0.004 Å
• α: 61.405 ± 0.004°
• β: 76.169 ± 0.005°
• γ: 86.688 ± 0.005°
• Cell volume: 1085.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes