Information card for entry 2201815

Structure parameters

• Chemical name: Bis[N-n-butyl-N-(3,5-di-tert-butyl-2-hydroxybenzyl)dithiocarbamato- κ^2^S,S']zinc(II)
• Formula: C34 H52 N2 O2 S4 Zn
• Calculated formula: C34 H52 N2 O2 S4 Zn
• SMILES: [Zn]12(SC(=[S]1)N(Cc1c(O)c(cc(c1)C)C(C)(C)C)CCCC)SC(=[S]2)N(Cc1c(O)c(cc(c1)C)C(C)(C)C)CCCC
• Title of publication: Bis[<i>N</i>-<i>n</i>-butyl-<i>N</i>-(3,5-di-<i>tert</i>-butyl-2-hydroxybenzyl)dithiocarbamato-κ^2^<i>S,S</i>']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: 5
• Pages of publication: m234 - m235
• a: 8.936 ± 0.003 Å
• b: 10.762 ± 0.002 Å
• c: 19.74 ± 0.003 Å
• α: 80.63 ± 0.01°
• β: 88.39 ± 0.02°
• γ: 84.11 ± 0.02°
• Cell volume: 1863 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes