Information card for entry 2006407

Structure parameters

• Chemical name: Tetramethylammonium hydrogen bis[bis(N,N-dimethylthiocarbamoylthio)acetate]
• Formula: C20 H39 N5 O4 S8
• Calculated formula: C20 H39 N5 O4 S8
• SMILES: C(=O)(C(SC(=S)N(C)C)SC(=S)N(C)C)O.C[N+](C)(C)C.C(=O)(C(SC(=S)N(C)C)SC(=S)N(C)C)[O-]
• Title of publication: Tetramethylammonium Hydrogen Bis[bis(dimethyldithiocarbamyl)acetate]
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1111 - 1113
• a: 29.268 ± 0.003 Å
• b: 8.9925 ± 0.0006 Å
• c: 13.569 ± 0.002 Å
• α: 90°
• β: 115.063 ± 0.006°
• γ: 90°
• Cell volume: 3235 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.0985
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No