Information card for entry 8105027

Structure parameters

• Formula: C16 H34 N2 Na2 O7 S4
• Calculated formula: C16 H34 N2 Na2 O7 S4
• Title of publication: Crystal structure of catena-{[tri-aqua-di-sodium bis(2-{[n-butyl(methyl)carbamothioyl]sulfanyl}acetate)]}n, [C16H34N2Na2O7S4]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: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 91 - 94
• a: 5.3734 ± 0.0001 Å
• b: 11.0473 ± 0.0002 Å
• c: 22.2264 ± 0.0005 Å
• α: 102.075 ± 0.002°
• β: 96.202 ± 0.002°
• γ: 97.383 ± 0.002°
• Cell volume: 1267.06 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No