Information card for entry 4081775

Structure parameters

• Formula: C63 H84 B2 Br6 N4
• Calculated formula: C63 H84 B2 Br6 N4
• Title of publication: N-Heterocyclic Olefin Stabilized Borenium Cations
• Authors of publication: Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Sexton, Daniel R.; Wei, Pingrong; Robinson, Gregory H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6639
• a: 21.7846 ± 0.0012 Å
• b: 16.682 ± 0.0009 Å
• c: 21.6974 ± 0.0012 Å
• α: 90°
• β: 119.394 ± 0.001°
• γ: 90°
• Cell volume: 6870 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1867
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No