Information card for entry 1577288

Structure parameters

• Common name: {mu-eta6,eta6-[2,3,6,7,9,10-Me6-9,10-DBA]}{Mo(CO)3Li(thf)3}2
• Chemical name: 3-Mo2
• Formula: C48 H70 B2 Li2 Mo2 O12
• Calculated formula: C48 H70 B2 Li2 Mo2 O12
• 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: 42.0401 ± 0.0004 Å
• b: 10.407 ± 0.0001 Å
• c: 24.2315 ± 0.0002 Å
• α: 90°
• β: 105.154 ± 0.001°
• γ: 90°
• Cell volume: 10232.9 ± 0.17 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: 0.0732
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• 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