Information card for entry 1508471

Structure parameters

• Formula: C8 H10 Br3 F6 N2 P
• Calculated formula: C8 H10 Br3 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].Brc1c(Br)[n+](CC)c(Br)n1CC=C
• 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: 7.5434 ± 0.0003 Å
• b: 15.5493 ± 0.0007 Å
• c: 12.7552 ± 0.0004 Å
• α: 90°
• β: 90.198 ± 0.003°
• γ: 90°
• Cell volume: 1496.11 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1378
• 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