Information card for entry 7123892

Structure parameters

• Formula: C39 H48 B2 N2 S
• Calculated formula: C39 H48 B2 N2 S
• Title of publication: Pseudodiborenes: hydride-bridged diboranes(5) as two-electron reductants of chalcogens
• Authors of publication: Prieschl, Dominic; Dietz, Maximilian; Muessig, Jonas; Wagner, Katharina; Krummenacher, Ivo; Braunschweig, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.3083 ± 0.0017 Å
• b: 8.2219 ± 0.0011 Å
• c: 34.364 ± 0.005 Å
• α: 90°
• β: 93.549 ± 0.008°
• γ: 90°
• Cell volume: 3470.9 ± 0.8 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0526
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No