Information card for entry 2243503

Structure parameters

• Chemical name: Bis(acetonitrile-κ<i>N</i>)tetra-μ~3~-iodido-bis(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)-<i>tetrahedro</i>-tetracopper(I)
• Formula: C14 H20 Cu4 I4 N4 O2 S2
• Calculated formula: C14 H20 Cu4 I4 N4 O2 S2
• SMILES: C1(CCCC(=O)N1)=[S][Cu]12345[I]6[Cu]7892([I]1[Cu]1248([I]7[Cu]5692([I]31)[N]#CC)[S]=C1CCCC(=O)N1)[N]#CC
• 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: 14.4669 ± 0.0008 Å
• b: 12.2157 ± 0.0007 Å
• c: 16.9969 ± 0.0011 Å
• α: 90°
• β: 112.562 ± 0.005°
• γ: 90°
• Cell volume: 2773.9 ± 0.3 ų
• Cell temperature: 104.97 K
• Ambient diffraction temperature: 104.97 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes