Information card for entry 2218251

Structure parameters

• Chemical name: μ-1,2-Di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>'- bis[bis(<i>N</i>,<i>N</i>-diisopropyldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')zinc(II)]
• Formula: C40 H68 N6 S8 Zn2
• Calculated formula: C40 H68 N6 S8 Zn2
• SMILES: [Zn]12(SC(=[S]1)N(CCC)CCC)(SC(=[S]2)N(CCC)CCC)[n]1ccc(cc1)CCc1cc[n]([Zn]23(SC(=[S]2)N(CCC)CCC)SC(=[S]3)N(CCC)CCC)cc1
• Title of publication: μ-1,2-Di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>'-bis[bis(<i>N</i>,<i>N</i>-diisopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]
• Authors of publication: Avila, Vanessa; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m680
• a: 18.645 ± 0.005 Å
• b: 15.464 ± 0.005 Å
• c: 17.567 ± 0.004 Å
• α: 90°
• β: 90.756 ± 0.011°
• γ: 90°
• Cell volume: 5065 ± 2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes