Information card for entry 7043811

Structure parameters

• Chemical name: [Sb(aIPr)Br2][BArF]*4THF
• Formula: C75 H80 B Br2 F24 N2 O4 Sb
• Calculated formula: C75 H80 B Br2 F24 N2 O4 Sb
• Title of publication: N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.
• Authors of publication: Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.2348 ± 0.0002 Å
• b: 16.973 ± 0.0004 Å
• c: 18.9206 ± 0.0004 Å
• α: 72.072 ± 0.002°
• β: 83.509 ± 0.002°
• γ: 87.014 ± 0.002°
• Cell volume: 4017.25 ± 0.15 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: 0.0622
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No