Information card for entry 7126586

Structure parameters

• Formula: C49 H108 B4 N4 Si8 W2
• Calculated formula: C49 H108 B4 N4 Si8 W2
• Title of publication: Transition-metal-carbene-like intermolecular insertion of a borylene into C-H bonds.
• Authors of publication: Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Dellermann, Theresa; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 53
• Pages of publication: 7277 - 7280
• a: 12.0424 ± 0.0006 Å
• b: 8.8836 ± 0.0005 Å
• c: 31.436 ± 0.0015 Å
• α: 90°
• β: 90.468 ± 0.003°
• γ: 90°
• Cell volume: 3362.9 ± 0.3 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: 0.0265
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No