Information card for entry 4335242

Structure parameters

• Formula: C8 H24 N2 O10 S4
• Calculated formula: C8 H24 N2 O10 S4
• SMILES: S(=O)(=O)([O-])[O-].S(=O)=O.S(=O)=O.S(=O)=O.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Title of publication: Synthesis of [N(CH3)4]2O3SOSO2(s) and [N(CH3)4]2[(O2SO)2SO2].SO2(s) Containing (SO4)(SO2)x2- x= 1, 2, Members of a New Class of Sulfur Oxydianions
• Authors of publication: Pablo Bruna; Andreas Decken; Friedrich Grein; Jack Passmore; J. Mikko Rautiainen; Stephanie Richardson; Tom Whidden
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7193 - 7202
• a: 10.27 ± 0.003 Å
• b: 15.265 ± 0.004 Å
• c: 13.278 ± 0.005 Å
• α: 90°
• β: 112.117 ± 0.004°
• γ: 90°
• Cell volume: 1928.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No