Information card for entry 2233250

Structure parameters

• Chemical name: Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido- di-μ~2~-iodido-tetracopper(I)
• Formula: C20 H16 Cu4 I4 N4 S4
• Calculated formula: C20 H16 Cu4 I4 N4 S4
• SMILES: c1cccc2[n]1[Cu]134[I][Cu]564[I]1[Cu]14([n]7ccccc7[S]3S2)[I]5[Cu]24([I]1)[n]1ccccc1S[S]2c1cccc[n]61
• Title of publication: Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido-di-μ~2~-iodido-tetracopper(I)
• Authors of publication: Wang, Yu-Hong; Zhu, Xue-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m18
• a: 10.46 ± 0.006 Å
• b: 14.434 ± 0.008 Å
• c: 19.908 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3006 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes