Information card for entry 2103110

Structure parameters

• Chemical name: para tetrachlorodicyanobenzene/hexamethylbenzene, 1/1. polymorph III
• 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: 9.754 ± 0.002 Å
• b: 15.41 ± 0.003 Å
• c: 7.555 ± 0.0015 Å
• α: 90°
• β: 116.88 ± 0.03°
• γ: 90°
• Cell volume: 1012.9 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.066
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No