Information card for entry 7022441

Structure parameters

• Chemical name: bis[3,4-bis(methylsulfanyl)phenyl](methyl)[2-(methylsulfanyl)phenyl]sulfonium hexachloroselenate(IV) dichloroselenium(II)
• Formula: C32 H38 Cl9.52 S8 Se2.76
• Calculated formula: C32 H38 Cl9.52 S8 Se2.76
• 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: 10.095 ± 0.004 Å
• b: 10.111 ± 0.004 Å
• c: 12.633 ± 0.005 Å
• α: 112.04 ± 0.008°
• β: 96.489 ± 0.007°
• γ: 92.494 ± 0.007°
• Cell volume: 1182.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No