Information card for entry 7126960

Structure parameters

• Chemical name: Hexachlorocyclopentadien
• Formula: C5 Cl6
• Calculated formula: C5 Cl6
• Title of publication: The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C₁₀Cl₁₀]²⁺ and [C₁₀Br₁₀]²⁺ dications.
• Authors of publication: Rupf, Susanne Margot; Pröhm, Patrick; Malischewski, Moritz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 68
• Pages of publication: 9834 - 9837
• a: 8.2289 ± 0.0004 Å
• b: 10.3003 ± 0.0005 Å
• c: 12.507 ± 0.0006 Å
• α: 97.189 ± 0.002°
• β: 107.491 ± 0.002°
• γ: 111.379 ± 0.002°
• Cell volume: 908.04 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No