Information card for entry 4126988

Structure parameters

• Formula: C122 H176 B4 Li2 N4 O10 W2
• Calculated formula: C122 H176 B4 Li2 N4 O10 W2
• Title of publication: Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.
• Authors of publication: Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.4746 ± 0.0005 Å
• b: 14.3447 ± 0.0009 Å
• c: 20.4846 ± 0.0013 Å
• α: 74.006 ± 0.003°
• β: 88.671 ± 0.002°
• γ: 77.596 ± 0.002°
• Cell volume: 2887.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No