Information card for entry 7133293

Structure parameters

• Formula: C35 H52 B Cl2 N5
• Calculated formula: C35 H52 B Cl2 N5
• 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: 23.6475 ± 0.0004 Å
• b: 15.5802 ± 0.0003 Å
• c: 18.9468 ± 0.0002 Å
• α: 90°
• β: 93.614 ± 0.001°
• γ: 90°
• Cell volume: 6966.74 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No