Information card for entry 8103175

Structure parameters

• Chemical name: Dichloro-bis(dimethylsulfoxide-O)-bis(isonicotinic acid-N)-copper(II) dimethylsulfoxide solvate
• Formula: C20 H34 Cl2 Cu N2 O8 S4
• Calculated formula: C20 H34 Cl2 Cu N2 O8 S4
• Title of publication: Crystal structure of dichlorobis(dimethylsulfoxide-O)bis(isonicotinic acid-N)copper(II) — dimethylsulfoxide (1:2), [CuCl2(C6H5NO2)2(C2H6OS)2]2 · 2C2H6OS
• Authors of publication: Jaeun Kang; Inhae Park; Youngbum Kwak; Yeonsun Jung; Seonhong Kim; Yumi Lee; Hoseop Yun; Junghwan Do
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 311
• a: 7.105 ± 0.005 Å
• b: 10.578 ± 0.007 Å
• c: 11.007 ± 0.007 Å
• α: 71.575 ± 0.014°
• β: 84.51 ± 0.015°
• γ: 77.47 ± 0.017°
• Cell volume: 765.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1256
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No