Information card for entry 2003748

Structure parameters

• Formula: C16 H9 N5 O11 S4
• Calculated formula: C16 H9 N5 O11 S4
• Title of publication: 4,5-Bis(2,4-dinitrophenylthio)-1,3-dithiol-2-one Nitromethane Solvate (BNPT-DTO.CH~3~NO~2~)
• Authors of publication: Yu, W.-T.; Fang, Q.; Xu, D.; Jiang, M.-H.; Lei, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1602 - 1604
• a: 8.582 ± 0.003 Å
• b: 9.702 ± 0.002 Å
• c: 15.004 ± 0.004 Å
• α: 93.75 ± 0.02°
• β: 98 ± 0.03°
• γ: 114.38 ± 0.02°
• Cell volume: 1116.3 ± 0.6 ų
• Cell temperature: 293 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: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0466
• Goodness-of-fit parameter for significantly intense reflections: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No