Information card for entry 2243506

Structure parameters

• Chemical name: Poly[(μ-isoindoline-1,3-dithione-κ^2^<i>S</i>:<i>S</i>)copper(I)]-μ~3~-iodido]
• Formula: C8 H5 Cu I N S2
• Calculated formula: C8 H5 Cu I N S2
• 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: 15.174 ± 0.005 Å
• b: 4.1188 ± 0.0016 Å
• c: 15.785 ± 0.006 Å
• α: 90°
• β: 92.98 ± 0.02°
• γ: 90°
• Cell volume: 985.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes