Information card for entry 1577286

Structure parameters

• Common name: 2,3,6,7,9,10-Me6-9,10-DHDBA
• Chemical name: 2
• Formula: C18 H22 B2
• Calculated formula: C18 H22 B2
• Title of publication: Zerovalent transition-metal inverse-sandwich complexes of a diborataanthracene dianion
• Authors of publication: Gerstner, Alexander; Arrowsmith, Merle; Dietz, Maximilian; Mihm, Cornelius; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 8.3196 ± 0.0003 Å
• b: 9.7359 ± 0.0003 Å
• c: 10.7962 ± 0.0003 Å
• α: 69.942 ± 0.003°
• β: 75.684 ± 0.003°
• γ: 66.726 ± 0.003°
• Cell volume: 748.24 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No