Information card for entry 2205125

Structure parameters

• Chemical name: Phosphenium bromide
• Formula: C12 H12 Br P
• Calculated formula: C12 H12 Br P
• SMILES: c1(ccccc1)[PH2+]c1ccccc1.[Br-]
• Title of publication: Diphenylphosphenium bromide
• Authors of publication: Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o448 - o449
• a: 16.778 ± 0.002 Å
• b: 7.4093 ± 0.0007 Å
• c: 9.8472 ± 0.0011 Å
• α: 90°
• β: 106.097 ± 0.009°
• γ: 90°
• Cell volume: 1176.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes