Information card for entry 2243504

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(μ-6-sulfanylidenepiperidin-2-one-κ^2^<i>O</i>:<i>S</i>)copper(I)]-μ~3~-iodido]
• Formula: C5 H7 Cu I N O S
• Calculated formula: C5 H7 Cu I N O S
• Title of publication: Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands
• Authors of publication: Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1336 - 1344
• a: 26.982 ± 0.011 Å
• b: 8.195 ± 0.004 Å
• c: 7.351 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1625.4 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes