Information card for entry 2104285

Structure parameters

• Chemical name: o-tetrachlordicyanobenzene/p-tetrachlordicyanobenzene 1/1
• Formula: C8 Cl4 N2
• Calculated formula: C7.99998 Cl4.00002 N1.99998
• Title of publication: Planar packing of tetrachlorodicyanobenzenes. II
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: 54 - 58
• a: 9.2473 ± 0.0008 Å
• b: 9.2473 ± 0.0008 Å
• c: 9.959 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 737.52 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes