Information card for entry 1543706

Structure parameters

• Chemical name: [{(IPr)PBr}2Br][BArF]
• Formula: C86 H84 B Br3 F24 N4 P2
• Calculated formula: C86 H84 B Br3 F24 N4 P2
• Title of publication: N-heterocyclic carbene induced reductive coupling of phosphorus tribromide. Isolation of a bromine bridged P–P bond and its subsequent reactivity.
• Authors of publication: Waters, Jordan; Everitt, Thomas; Myers, William; Goicoechea, Jose M.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• a: 12.8207 ± 0.0001 Å
• b: 23.5342 ± 0.0003 Å
• c: 30.8558 ± 0.0004 Å
• α: 90.475 ± 0.001°
• β: 99.027 ± 0.001°
• γ: 105.727 ± 0.001°
• Cell volume: 8837.79 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No