Information card for entry 4129147

Structure parameters

• Formula: C58 H45 B F20 N2 O2 Si W
• Calculated formula: C58 H45 B F20 N2 O2 Si W
• Title of publication: Si-H Bond Activation with Bullock's Cationic Tungsten(II) Catalyst: CO as Cooperating Ligand.
• Authors of publication: Fuchs, Julien; Irran, Elisabeth; Hrobárik, Peter; Klare, Hendrik F. T.; Oestreich, Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 47
• Pages of publication: 18845 - 18850
• a: 10.3107 ± 0.0002 Å
• b: 36.0951 ± 0.0009 Å
• c: 15.803 ± 0.0005 Å
• α: 90°
• β: 101.428 ± 0.002°
• γ: 90°
• Cell volume: 5764.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No