Information card for entry 2104286

Structure parameters

• Chemical name: m-tetrachlorodicyanobenzene/p- tetrachlorodicyanobenzene 1/1 polymorpth II
• Formula: C8 Cl4 N2
• Calculated formula: C7.9992 Cl4.0008 N1.9992
• 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: 7.9237 ± 0.0009 Å
• b: 9.4546 ± 0.0011 Å
• c: 6.5157 ± 0.0007 Å
• α: 90°
• β: 93.106 ± 0.002°
• γ: 90°
• Cell volume: 487.41 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes