Information card for entry 1577285

Structure parameters

• Common name: 2,3,6,7-Me4-9,10-Br2-DHDBA
• Chemical name: 1
• Formula: C16 H16 B2 Br2
• Calculated formula: C16 H16 B2 Br2
• 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: 9.6057 ± 0.0003 Å
• b: 9.6622 ± 0.0004 Å
• c: 10.3382 ± 0.0004 Å
• α: 63.11 ± 0.004°
• β: 88.157 ± 0.003°
• γ: 66.225 ± 0.004°
• Cell volume: 769.77 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• 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