Information card for entry 7044787

Structure parameters

• Formula: C26 H37 B2 Br5 N2
• Calculated formula: C26 H37 B2 Br5 N2
• SMILES: B1(Br)N(CC=[N+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[B](Br)(Br)(Br)[Br-]
• Title of publication: 1,3,2-Diazaborole-derived carbene complexes of boron.
• Authors of publication: Hickox, Hunter P.; Wang, Yuzhong; Luedecke, Kaitlin M.; Xie, Yaoming; Wei, Pingrong; Carrillo, Deidrah; Dominique, Nathaniel L.; Cui, Dongtao; Schaefer, Henry F.; Robinson, Gregory H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 41 - 44
• a: 12.317 ± 0.002 Å
• b: 22.811 ± 0.005 Å
• c: 14.606 ± 0.003 Å
• α: 90°
• β: 109.718 ± 0.006°
• γ: 90°
• Cell volume: 3863.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No