Information card for entry 7022436

Structure parameters

• Chemical name: trans-dichlorobis(tetrahydrothiophene)selenium(II)
• Formula: C8 H16 Cl2 S2 Se
• Calculated formula: C8 H16 Cl2 S2 Se
• SMILES: C1CCC[S]1[Se](Cl)([S]1CCCC1)Cl
• 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: 15.591 ± 0.006 Å
• b: 9.133 ± 0.003 Å
• c: 9.089 ± 0.004 Å
• α: 90°
• β: 110.82 ± 0.008°
• γ: 90°
• Cell volume: 1209.7 ± 0.8 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: 0.031
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No