Information card for entry 7022444

Structure parameters

• Chemical name: Dichloro(methylsulfanylmethane)selenium(II)
• Formula: C2 H6 Cl2 S Se
• Calculated formula: C2 H6 Cl2 S Se
• SMILES: [Se](Cl)(Cl)[S](C)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: 6.338 ± 0.004 Å
• b: 6.697 ± 0.004 Å
• c: 7.977 ± 0.005 Å
• α: 90°
• β: 97.946 ± 0.007°
• γ: 90°
• Cell volume: 335.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.734
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No