Information card for entry 1508474

Structure parameters

• Formula: C8 H8 Br3 F6 N2 P
• Calculated formula: C8 H8 Br3 F6 N2 P
• SMILES: Brc1[n+](c(Br)n(CC)c1Br)CC#C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Halogen Interactions in 2,4,5-Tribromoimidazolium Salts
• Authors of publication: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 1017 - 1033
• a: 8.2368 ± 0.0005 Å
• b: 13.4522 ± 0.0008 Å
• c: 13.6605 ± 0.0006 Å
• α: 92.476 ± 0.004°
• β: 100.965 ± 0.004°
• γ: 92.884 ± 0.005°
• Cell volume: 1481.96 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No