Information card for entry 1577293

Structure parameters

• Common name: {mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Cr(CO)3Li(thf)3}2
• Chemical name: 3-Cr2
• Formula: C48 H70 B2 Cr2 Li2 O12
• Calculated formula: C48.004 H70.008 B2 Cr2 Li2 O12.001
• 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: 41.931 ± 0.002 Å
• b: 10.3833 ± 0.0005 Å
• c: 23.8066 ± 0.0012 Å
• α: 90°
• β: 104.726 ± 0.004°
• γ: 90°
• Cell volume: 10024.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• 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