Information card for entry 2103108

Structure parameters

• Chemical name: para tetrachlorodicyanobenzene/hexamethylbenzene, 1/1 polymorph I
• 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: 7.513 ± 0.003 Å
• b: 8.615 ± 0.003 Å
• c: 9.029 ± 0.003 Å
• α: 114.24 ± 0.03°
• β: 113.3 ± 0.02°
• γ: 91.92 ± 0.03°
• Cell volume: 475.8 ± 0.3 ų
• Cell temperature: 189 ± 2 K
• Ambient diffraction temperature: 189 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No