Information card for entry 2211238

Structure parameters

• Formula: C15 H18 Cu I N3 S2
• Calculated formula: C15 H18 Cu I N3 S2
• SMILES: [Cu]12(SC(=[S]1)N(CC)CC)(I)[n]1ccccc1c1[n]2cccc1
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodocopper(II)
• Authors of publication: Le-Qing Fan; Ji-Huai Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2891 - m2892
• a: 6.7203 ± 0.0004 Å
• b: 17.0971 ± 0.0011 Å
• c: 16.0369 ± 0.0011 Å
• α: 90°
• β: 94.804 ± 0.004°
• γ: 90°
• Cell volume: 1836.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes