Information card for entry 2230908

Structure parameters

• Chemical name: Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate
• Formula: C4 H14 N O2 P S2
• Calculated formula: C4 H14 N O2 P S2
• SMILES: C(C)OP(OCC)(=S)[S-].[NH4+]
• Title of publication: Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate
• Authors of publication: Okuniewski, Andrzej; Becker, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1749 - o1750
• a: 12.0274 ± 0.0007 Å
• b: 7.2006 ± 0.0003 Å
• c: 12.569 ± 0.0007 Å
• α: 90°
• β: 110.305 ± 0.006°
• γ: 90°
• Cell volume: 1020.89 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes