Information card for entry 4132662

Structure parameters

• Formula: C30 H34 B N3 O5 W
• Calculated formula: C30 H34 B N3 O5 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[B](N(CC)CC)=C1N(c2c(C)cc(C)cc2C)C=CN1c1c(cc(cc1C)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: 17.23 ± 0.005 Å
• b: 10.613 ± 0.003 Å
• c: 17.382 ± 0.005 Å
• α: 90°
• β: 110.349 ± 0.01°
• γ: 90°
• Cell volume: 2980.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No