Information card for entry 4336894

Structure parameters

• Formula: C10 H24 N4 O4 S4
• Calculated formula: C10 H24 N4 O4 S4
• Title of publication: Synthesis of (TDAE)(O2SSO2)(s) and Discovery of (TDAE)(O2SSSSO2)(s) Containing the First Polythionite, [O2SSSSO2]2-
• Authors of publication: Pablo Bruna; Andreas Decken; Scott Greer; Friedrich Grein; H. Donald B. Jenkins; Birgit Mueller; Jack Passmore; Tressia A. P. Paulose; J. Mikko Rautiainen; Stephanie Richardson; Melbourne J. Schriver
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13651 - 13662
• a: 8.8871 ± 0.001 Å
• b: 12.3534 ± 0.0014 Å
• c: 16.1822 ± 0.0018 Å
• α: 90°
• β: 91.517 ± 0.002°
• γ: 90°
• Cell volume: 1776 ± 0.3 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No