Information card for entry 4347691

Structure parameters

• Formula: C10 H26 N4 O7 S3
• Calculated formula: C10 H26 N4 O7 S3
• SMILES: S(=O)(=O)(SS(=O)(=O)[O-])[O-].C(C(=[N+](C)C)N(C)C)(=[N+](C)C)N(C)C.O
• Title of publication: Absorption of SO2(g) by TDAE[O2SSO2](s) to Give TDAE[O2SS(O)2SO2](s): Related Reactions of [NR4]2[O2SSO2](s) (R = CH3, C2H5).
• Authors of publication: Decken, Andreas; Greer, Scott; Grein, Friedrich; Mailman, Aaron; Mueller, Birgit; Paulose, Tressia A. P.; Passmore, Jack; Rautiainen, J. Mikko; Richardson, Stephanie A.; Schriver, Melbourne J.; Whidden, Thomas K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5999 - 6009
• a: 14.292 ± 0.003 Å
• b: 8.0306 ± 0.0018 Å
• c: 17.404 ± 0.004 Å
• α: 90°
• β: 111.007 ± 0.002°
• γ: 90°
• Cell volume: 1864.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No