Information card for entry 7022439

Structure parameters

• Chemical name: Dibromobis(4-bromo-1,2-bis(methylthio)benzene-S)selenium(II)
• Formula: C16 H18 Br4 S4 Se
• Calculated formula: C16 H18 Br4 S4 Se
• SMILES: c1(cc(ccc1SC)Br)SC.Br[Se]Br.c1(c(ccc(c1)Br)SC)SC
• 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: 15.963 ± 0.007 Å
• b: 11.782 ± 0.006 Å
• c: 12.718 ± 0.006 Å
• α: 90°
• β: 107.534 ± 0.008°
• γ: 90°
• Cell volume: 2280.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0924
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No