Information card for entry 1543707

Structure parameters

• Chemical name: [P2(IPr)2Br2][BArF]2*C6H4F2
• Formula: C130 H104 B2 Br2 F52 N4 P2
• Calculated formula: C130 H104 B2 Br2 F52 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: 12.8045 ± 0.0004 Å
• b: 16.4182 ± 0.0005 Å
• c: 17.5699 ± 0.0004 Å
• α: 73.042 ± 0.002°
• β: 84.65 ± 0.002°
• γ: 67.727 ± 0.003°
• Cell volume: 3268.83 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No