Information card for entry 8102708

Structure parameters

• Chemical name: (2,2'-Bipyridine-<i>k</i>^2^ <i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>-dimethyldithiocarbamato- <i>k</i>^2^<i>S</i>,<i>S</i>')iodocopper(II)
• Formula: C13 H14 Cu I N3 S2
• Calculated formula: C13 H14 Cu I N3 S2
• SMILES: [Cu]12(I)([S]=C(S1)N(C)C)[n]1ccccc1c1[n]2cccc1
• Title of publication: Crystal structure of (2,2'-bipyridine-k2N,N')-(N,N-dimethyldithiocarbamato-k2S,S')copper(II) iodide, CuI(C10H8N2)(C3H6NS2)
• Authors of publication: Le-Qing Fan; Ji-Huai Wu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 347
• a: 8.808 ± 0.0001 Å
• b: 10.1039 ± 0.0005 Å
• c: 11.2436 ± 0.0002 Å
• α: 66.7 ± 0.02°
• β: 76.199 ± 0.019°
• γ: 66.355 ± 0.016°
• Cell volume: 838.06 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No