Information card for entry 2218033

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^N,N')iodido(pyrrolidine-1-dithiocarboxylato- κ^2^S,S')copper(II)
• Formula: C15 H16 Cu I N3 S2
• Calculated formula: C15 H16 Cu I N3 S2
• SMILES: [Cu]12(I)(SC(=[S]1)N1CCCC1)[n]1ccccc1c1[n]2cccc1
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')iodido(pyrrolidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')copper(II)
• Authors of publication: Fan, Le-Qing; Wu, Ji-Huai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m639
• a: 6.606 ± 0.003 Å
• b: 16.212 ± 0.008 Å
• c: 16.405 ± 0.008 Å
• α: 90°
• β: 98.399 ± 0.01°
• γ: 90°
• Cell volume: 1738.1 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes