Information card for entry 2008195

Structure parameters

• Chemical name: A Binuclear Cadmium(II) complex: Bis(diisopropyldithiocarbamate) Cadmium(II)
• Formula: C28 H56 Cd2 N4 S8
• Calculated formula: C28 H56 Cd2 N4 S8
• SMILES: CC(C)N(C(C)C)C1=[S][Cd]23([S](C(N(C(C)C)C(C)C)=[S]2)[Cd]24([S]=C(N(C(C)C)C(C)C)[S]32)[S]=C(N(C(C)C)C(C)C)S4)S1
• Title of publication: A binuclear cadmium(II) complex: bis[bis(<i>N,N</i>-diisopropyldithiocarbamato)cadmium(II)]
• Authors of publication: Fang-fang Jian; Zuo-xiang Wang; Hoong-Kun Fun; Zhi-ping Bai; Xiao-zeng You
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 174 - 176
• a: 11.6017 ± 0.001 Å
• b: 11.2268 ± 0.0011 Å
• c: 16.752 ± 0.0015 Å
• α: 90°
• β: 108.936 ± 0.008°
• γ: 90°
• Cell volume: 2063.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.0989
• Goodness-of-fit parameter for all reflections: 0.95
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No