Information card for entry 2004224

Structure parameters

• Formula: C7 H4 N2 O2 S2
• Calculated formula: C7 H4 N2 O2 S2
• Title of publication: 2-Nitrobenzenesulfenyl Thiocyanate
• Authors of publication: Howie, R. A.; Wardell, J. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2651 - 2652
• a: 7.774 ± 0.016 Å
• b: 7.973 ± 0.012 Å
• c: 8.053 ± 0.017 Å
• α: 94.28 ± 0.15°
• β: 109.45 ± 0.19°
• γ: 105.67 ± 0.13°
• Cell volume: 445.7 ± 1.7 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No