Information card for entry 2008786

Structure parameters

• Common name: iodo(di-n-propyldithiocarbamato)selenium(II)
• Chemical name: catena-μ-iodo-(di-n-propyldithiocarbamato)selenium(II)
• Formula: C7 H14 I N S2 Se
• Calculated formula: C7 H14 I N S2 Se
• SMILES: [I-].C1(=[N+](CCC)CCC)S[Se]S1
• Title of publication: The first mixed iodide‒dithiocarbamate complex of selenium(II): <i>catena</i>-poly[[(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')selenium(II)]-μ-iodo]
• Authors of publication: S. Rajashree; G. Aravamudan; Kandasamy Sivakumar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1320 - 1322
• a: 6.905 ± 0.003 Å
• b: 11.05 ± 0.006 Å
• c: 16.835 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1284.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes