Information card for entry 7043819

Structure parameters

• Chemical name: (aIPr)BiBr3*0.5CH2Cl2
• Formula: C27.5 H37 Bi Br3 Cl N2
• Calculated formula: C27.5 H37 Bi Br3 Cl N2
• 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: 12.1007 ± 0.0002 Å
• b: 35.0892 ± 0.0005 Å
• c: 14.9693 ± 0.0002 Å
• α: 90°
• β: 98.858 ± 0.001°
• γ: 90°
• Cell volume: 6280.21 ± 0.16 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No