Information card for entry 7022443

Structure parameters

• Chemical name: bis(2-methyl-1,3-dihydro-2-benzothiophenium) tetrabromoselenate(II)
• Formula: C18 H22 Br4 S2 Se
• Calculated formula: C18 H22 Br4 S2 Se
• SMILES: c12C[S+](Cc1cccc2)C.Br[Se](Br)([Br-])[Br-].c12c(cccc1)C[S+](C2)C
• 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: 14.882 ± 0.004 Å
• b: 10.349 ± 0.003 Å
• c: 15.57 ± 0.005 Å
• α: 90°
• β: 108.937 ± 0.008°
• γ: 90°
• Cell volume: 2268.2 ± 1.2 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: 0.0401
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No