Information card for entry 7133296

Structure parameters

• Formula: C44 H65 B N4
• Calculated formula: C44 H65 B N4
• Title of publication: Transition-metal-like coordination chemistry of dicoordinate borylenes with organic azides.
• Authors of publication: Witte, Robert; Kar, Sourav; Radacki, Krzysztof; Härterich, Marcel; Rang, Maximilian; Michel, Maximilian; Mihm, Cornelius; Czernetzki, Corinna; Brückner, Tobias; Beck, Eva; Lutz, Sarah; Dewhurst, Rian D.; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 65
• Pages of publication: 8629 - 8632
• a: 10.5315 ± 0.0002 Å
• b: 16.4623 ± 0.0003 Å
• c: 23.1574 ± 0.0005 Å
• α: 90°
• β: 96.209 ± 0.001°
• γ: 90°
• Cell volume: 3991.31 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No