Information card for entry 4064342

Structure parameters

• Formula: C45 H77 B2 Li N2 O3
• Calculated formula: C45 H77 B2 Li N2 O3
• Title of publication: Anionic N-Heterocyclic Dicarbene−Borane Binuclear Complexes
• Authors of publication: Wang, Yuzhong; Xie, Yaoming; Abraham, Mariham Y.; Wei, Pingrong; Schaefer, Henry F.; Schleyer, Paul v. R.; Robinson, Gregory H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1303
• a: 10.798 ± 0.006 Å
• b: 22.113 ± 0.012 Å
• c: 20.838 ± 0.011 Å
• α: 90°
• β: 101.847 ± 0.008°
• γ: 90°
• Cell volume: 4870 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1346
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No