Information card for entry 4068222

Structure parameters

• Formula: C43 H67 B N2 Si
• Calculated formula: C43 H67 B N2 Si
• Title of publication: From Anionic N-Heterocyclic Dicarbenes to Abnormal Carbene‒Borane Complexes: A Logical Synthetic Route
• Authors of publication: Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Wei, Pingrong; Smith, Jared C.; Robinson, Gregory H.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 791
• a: 11.6738 ± 0.001 Å
• b: 12.7915 ± 0.0011 Å
• c: 14.4424 ± 0.0012 Å
• α: 90.105 ± 0.001°
• β: 95.338 ± 0.001°
• γ: 95.762 ± 0.001°
• Cell volume: 2136.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No