Information card for entry 4132670

Structure parameters

• Formula: C26 H49 B Cl N2 Si2
• Calculated formula: C26 H49 B Cl N2 Si2
• SMILES: Cl/[B](=C1\N(c2c(cccc2C(C)C)C(C)C)C(CC1(C)C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.
• Authors of publication: Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 33
• Pages of publication: 10524 - 10529
• a: 9.18 ± 0.008 Å
• b: 9.199 ± 0.007 Å
• c: 20.177 ± 0.016 Å
• α: 98.295 ± 0.019°
• β: 92.95 ± 0.03°
• γ: 117.259 ± 0.018°
• Cell volume: 1485 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No