Information card for entry 1577292

Structure parameters

• Common name: {mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Li(thf)2}2
• Chemical name: 3
• Formula: C34 H54 B2 Li2 O4
• Calculated formula: C34 H54 B2 Li2 O4
• 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: 8.7241 ± 0.0002 Å
• b: 9.4419 ± 0.0001 Å
• c: 19.9924 ± 0.0004 Å
• α: 90°
• β: 96.948 ± 0.002°
• γ: 90°
• Cell volume: 1634.72 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• 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: Yes
• Has Fobs: No