Information card for entry 7126961

Structure parameters

• Chemical name: Hexabromocyclopentadien
• Formula: C7 H3 Br6 N
• Calculated formula: C7 H3 Br6 N
• 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: 8.5108 ± 0.0005 Å
• b: 7.1691 ± 0.0004 Å
• c: 21.9711 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.56 ± 0.13 ų
• Cell temperature: 103.68 K
• Ambient diffraction temperature: 103.68 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No