Information card for entry 1543708

Structure parameters

• Chemical name: [P2(IPr)2Br2][BArF]2*1.5CH2Cl2
• Formula: C119.5 H99 B2 Br2 Cl3 F48 N4 P2
• Calculated formula: C119.5 H99 B2 Br2 Cl3 F48 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: 12.9265 ± 0.0001 Å
• b: 19.5862 ± 0.0002 Å
• c: 25.8965 ± 0.0003 Å
• α: 91.462 ± 0.001°
• β: 100.922 ± 0.001°
• γ: 103.341 ± 0.001°
• Cell volume: 6247.54 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No