Information card for entry 2004965

Structure parameters

• Formula: C12 H8 N2 O4 S3
• Calculated formula: C12 H8 N2 O4 S3
• Title of publication: Bis(2-nitrophenyl) Trisulfide
• Authors of publication: Howie, R. A.; Wardell, J. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1533 - 1534
• a: 7.839 ± 0.007 Å
• b: 8.281 ± 0.007 Å
• c: 13.113 ± 0.009 Å
• α: 92.77 ± 0.06°
• β: 104.85 ± 0.06°
• γ: 120.82 ± 0.06°
• Cell volume: 689.9 ± 1.1 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: 0.049
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No