Information card for entry 2202314

Structure parameters

• Chemical name: zinc diisobutyldithiocarbamoylsulphinate
• Formula: C18 H36 N2 O4 S4 Zn
• Calculated formula: C18 H36 N2 O4 S4 Zn
• SMILES: [S]1[Zn]2(OS(C=1N(CC(C)C)CC(C)C)=O)OS(C(N(CC(C)C)CC(C)C)=[S]2)=O
• Title of publication: (<i>N,N</i>-Diisobutyldithiocarbamoylsulfinato)zinc(II)
• Authors of publication: Reck, Günter; Becker, Roland
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m489 - m490
• a: 12.557 ± 0.002 Å
• b: 12.557 ± 0.002 Å
• c: 16.6 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes