Information card for entry 7022438

Structure parameters

• Chemical name: Dibromo[1,2-bis(methylsulfanyl)ethane-S,S']selenium(II)
• Formula: C4 H10 Br2 S2 Se
• Calculated formula: C4 H10 Br2 S2 Se
• SMILES: [Se]1(Br)(Br)[S](C)CC[S]1C
• Title of publication: Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.
• Authors of publication: Jolleys, Andrew; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2963 - 2972
• a: 15.713 ± 0.006 Å
• b: 8.73 ± 0.003 Å
• c: 15.133 ± 0.006 Å
• α: 90°
• β: 109.835 ± 0.008°
• γ: 90°
• Cell volume: 1952.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No