Information card for entry 2103109

Structure parameters

• Chemical name: para tetrachlorodicyanobenzene/hexamethylbenzene, 1/1, polymorph II
• Formula: C20 H18 Cl4 N2
• Calculated formula: C20 H18 Cl4 N2
• Title of publication: Planar packing of tetrachlorodicyanobenzene isomers
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 553 - 563
• a: 7.5567 ± 0.0011 Å
• b: 8.8956 ± 0.0011 Å
• c: 8.9921 ± 0.0011 Å
• α: 116.697 ± 0.003°
• β: 112.099 ± 0.003°
• γ: 92.101 ± 0.003°
• Cell volume: 484.66 ± 0.11 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No