Information card for entry 1508477

Structure parameters

• Formula: C8 H8 Br5 F6 N2 P
• Calculated formula: C8 H8 Br5 F6 N2 P
• SMILES: Br/C=C(Br)/Cn1c(Br)c(Br)[n+](CC)c1Br.[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: 7.6729 ± 0.0004 Å
• b: 7.8858 ± 0.0005 Å
• c: 15.8383 ± 0.0007 Å
• α: 90.001 ± 0.004°
• β: 88.104 ± 0.004°
• γ: 62.169 ± 0.008°
• Cell volume: 846.88 ± 0.1 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: 0.0569
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No