Information card for entry 2007481

Structure parameters

• Chemical name: Methanediyl bis(N,N-diethyldithiocarbamate).
• Formula: C11 H22 N2 S4
• Calculated formula: C11 H22 N2 S4
• SMILES: C(SC(=S)N(CC)CC)SC(=S)N(CC)CC
• Title of publication: A New Bis(dithioester): Methanediyl Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamate), Derived from <i>cis</i>-Dichlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tin(IV)
• Authors of publication: Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 1040 - 1042
• a: 9.755 ± 0.002 Å
• b: 7.43 ± 0.002 Å
• c: 11.255 ± 0.002 Å
• α: 90°
• β: 99.8 ± 0.1°
• γ: 90°
• Cell volume: 803.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for all reflections: 0.975
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No