Information card for entry 2207356

Structure parameters

• Common name: (C6H3Cl2NO2)4.(C4H8N2)'
• Chemical name: 3,4-dichloro-1-nitrobenzene–1,4-dioxane (4/1)
• Formula: C7 H5 Cl2 N O2.5
• Calculated formula: C7 H5 Cl2 N O2.5
• Title of publication: 3,4-Dichloro-1-nitrobenzene–1,4-dioxane (4/1)
• Authors of publication: Sarah A. Barnett; Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3666 - o3667
• a: 7.385 ± 0.0003 Å
• b: 9.7359 ± 0.0003 Å
• c: 13.7218 ± 0.0005 Å
• α: 69.347 ± 0.002°
• β: 87.209 ± 0.002°
• γ: 67.945 ± 0.002°
• Cell volume: 851.63 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.05
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes