Information card for entry 2018772

Structure parameters

• Chemical name: Bis(diisopropylammonium) thiosulfate
• Formula: C12 H32 N2 O3 S2
• Calculated formula: C12 H32 N2 O3 S2
• SMILES: [NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C.S=S([O-])(=O)[O-]
• Title of publication: Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate
• Authors of publication: Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 195 - 198
• a: 8.6437 ± 0.0003 Å
• b: 9.5322 ± 0.0003 Å
• c: 21.8594 ± 0.0008 Å
• α: 90°
• β: 95.657 ± 0.003°
• γ: 90°
• Cell volume: 1792.3 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0467
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes