Information card for entry 2210725

Structure parameters

• Chemical name: Bis(N,N-diethyldithiocarbamato-κ^2^S,S')(3,5-dimethylpyrazolato-κN)zinc(II)
• Formula: C15 H28 N4 S4 Zn
• Calculated formula: C15 H28 N4 S4 Zn
• SMILES: [Zn]12(SC(=[S]1)N(CC)CC)(SC(=[S]2)N(CC)CC)[n]1[nH]c(cc1C)C
• Title of publication: Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(3,5-dimethylpyrazolato-κ<i>N</i>)zinc(II)
• Authors of publication: Chen, Yang; Li, Hong-Xi; Tang, Xiao-Yan; Liu, Cheng-Wu; Lang, Jian-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2564 - m2566
• a: 14.724 ± 0.003 Å
• b: 8.8631 ± 0.0018 Å
• c: 17.464 ± 0.004 Å
• α: 90°
• β: 114.71 ± 0.03°
• γ: 90°
• Cell volume: 2070.4 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes