Information card for entry 4132665

Structure parameters

• Formula: C56 H43 B2 F15 N3 O4 Ru
• Calculated formula: C56 H43 B2 F15 N3 O4 Ru
• 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: 12.069 ± 0.006 Å
• b: 15.099 ± 0.007 Å
• c: 16.022 ± 0.007 Å
• α: 74.434 ± 0.015°
• β: 73.19 ± 0.02°
• γ: 83.7 ± 0.02°
• Cell volume: 2691 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No