Information card for entry 2243502

Structure parameters

• Chemical name: Di-μ-iodido-bis[(acetonitrile-κ<i>N</i>)(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)copper(I)]
• Formula: C14 H20 Cu2 I2 N4 O2 S2
• Calculated formula: C14 H20 Cu2 I2 N4 O2 S2
• SMILES: [I]1[Cu]2([I][Cu]12([N]#CC)[S]=C1CCCC(=O)N1)([N]#CC)[S]=C1CCCC(=O)N1
• 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: 8.121 ± 0.002 Å
• b: 8.433 ± 0.002 Å
• c: 9.154 ± 0.002 Å
• α: 68.918 ± 0.012°
• β: 80.523 ± 0.012°
• γ: 71.27 ± 0.009°
• Cell volume: 553.1 ± 0.2 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0126
• Residual factor for significantly intense reflections: 0.0121
• Weighted residual factors for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes