Information card for entry 1551352

Structure parameters

• Formula: C72 H84 B4 N4 S4
• Calculated formula: C72 H84 B4 N4 S4
• Title of publication: Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds
• Authors of publication: Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.4711 ± 0.0006 Å
• b: 12.1436 ± 0.0007 Å
• c: 14.1733 ± 0.0008 Å
• α: 87.13 ± 0.001°
• β: 83.446 ± 0.001°
• γ: 65.946 ± 0.001°
• Cell volume: 1634.96 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No