Information card for entry 2221493

Structure parameters

• Chemical name: Bis(μ-<i>N</i>-benzyl-<i>N</i>-tetradecyldithiocarbamato- κ^2^<i>S</i>:<i>S</i>')bis[(<i>N</i>-benzyl-<i>N</i>- tetradecyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]
• Formula: C88 H144 N4 S8 Zn2
• Calculated formula: C88 H144 N4 S8 Zn2
• SMILES: C1(N(Cc2ccccc2)CCCCCCCCCCCCCC)=[S][Zn]2(S1)[S]=C(N(Cc1ccccc1)CCCCCCCCCCCCCC)S[Zn]1([S]=C(N(Cc3ccccc3)CCCCCCCCCCCCCC)S1)[S]=C(N(Cc1ccccc1)CCCCCCCCCCCCCC)S2
• Title of publication: Bis(μ-<i>N</i>-benzyl-<i>N</i>-tetradecyldithiocarbamato-κ^2^<i>S</i>:<i>S</i>')bis[(<i>N</i>-benzyl-<i>N</i>-tetradecyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')zinc(II)]
• Authors of publication: Jia, Chun-Man; Yuan, Wen-Bing; Lin, Qiang; Zhang, Qi; Pei, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m471
• a: 11.007 ± 0.001 Å
• b: 11.64 ± 0.001 Å
• c: 18.818 ± 0.002 Å
• α: 85.645 ± 0.004°
• β: 76.913 ± 0.004°
• γ: 73.263 ± 0.004°
• Cell volume: 2248.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes