Information card for entry 4304946

Structure parameters

• Formula: C16 H26 N2 S4 Se
• Calculated formula: C16 H26 N2 S4 Se
• SMILES: C(=S)(N(CC)CC)S[Se]SC(=S)N(CC)CC.c1ccccc1
• Title of publication: Studies on the Properties of Organoselenium(IV) Fluorides and Azides
• Authors of publication: Thomas M. Klapötke; Burkhard Krumm; Matthias Scherr
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4712 - 4722
• a: 8.2071 ± 0.0002 Å
• b: 12.0351 ± 0.0003 Å
• c: 20.7122 ± 0.0007 Å
• α: 90°
• β: 99.053 ± 0.003°
• γ: 90°
• Cell volume: 2020.33 ± 0.1 ų
• Cell temperature: 100 ± 3 K
• Ambient diffraction temperature: 100 ± 3 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No