Information card for entry 7043815

Structure parameters

• Chemical name: [(aIPr)2SbBr2]Br*0.5THF
• Formula: C56 H76 Br3 N4 O0.5 Sb
• Calculated formula: C56 H76 Br3 N4 O0.5 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: 14.8865 ± 0.0002 Å
• b: 18.992 ± 0.0002 Å
• c: 20.8333 ± 0.0002 Å
• α: 90°
• β: 98.61 ± 0.001°
• γ: 90°
• Cell volume: 5823.7 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No