Information card for entry 2220480

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N'</i>)iodido(piperidine-1- carbodithioato-κ^2^<i>S</i>,<i>S'</i>)copper(II)
• Formula: C16 H18 Cu I N3 S2
• Calculated formula: C16 H18 Cu I N3 S2
• SMILES: [Cu]12(I)([S]=C(S1)N1CCCCC1)[n]1ccccc1c1[n]2cccc1
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')iodido(piperidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>')copper(II)
• Authors of publication: Fan, Le-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m6
• a: 6.532 ± 0.003 Å
• b: 16.859 ± 0.007 Å
• c: 17.578 ± 0.007 Å
• α: 90°
• β: 108.047 ± 0.014°
• γ: 90°
• Cell volume: 1840.5 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes