Information card for entry 8105433

Structure parameters

• Formula: C6 H16 N Na O3 S2
• Calculated formula: C6 H16 N Na O3 S2
• Title of publication: Crystal structure of catena{di-aqua-sodium-[N-(hydroxyethyl), N-isopropyl-dithiocarbamato]}n, [C6H16NNaO2S2]n
• Authors of publication: Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1245 - 1247
• a: 13.2126 ± 0.0004 Å
• b: 5.9418 ± 0.0001 Å
• c: 14.6038 ± 0.0003 Å
• α: 90°
• β: 100.395 ± 0.003°
• γ: 90°
• Cell volume: 1127.68 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No