Information card for entry 7004054

Structure parameters

• Common name: 1,2,3,4-Tetramethyl-tetraselenetanediylium-bis- (trifluormethanesulfonate)
• Formula: C6 H12 F6 O6 S2 Se4
• Calculated formula: C6 H12 F6 O6 S2 Se4
• SMILES: C(F)(F)(S(=O)(=O)[O-])F.C[Se][Se]C
• Title of publication: Dialkyl dichalcogen cations
• Authors of publication: Mueller, Birgit; Poleschner, Helmut; Seppelt, Konrad
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4424 - 4427
• a: 7.173 ± 0.005 Å
• b: 7.455 ± 0.005 Å
• c: 9.88 ± 0.005 Å
• α: 76.932 ± 0.005°
• β: 75.714 ± 0.005°
• γ: 64.608 ± 0.005°
• Cell volume: 458.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No