Information card for entry 7135967

Structure parameters

• Formula: C40 H46 B2 Mo N9 O2
• Calculated formula: C40 H46 B2 Mo N9 O2
• Title of publication: Coordination-induced bond weakening of multiple C-H bonds in a molybdenum methyl complex leading to a bridging ethylenediyl by C-C bond formation through bimolecular coupling of a terminal methylidyne
• Authors of publication: Dokken, Hannah; Rajeshkumar, Thayalan; Almquist, C. Christopher; Zhou, Wen; Maichle-Moessmer, Caecilia; Harrison, Alexander; Anwander, Reiner; Maron, Laurent; Piers, Warren
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 11.9782 ± 0.0005 Å
• b: 20.3399 ± 0.0007 Å
• c: 16.8895 ± 0.0008 Å
• α: 90°
• β: 110.234 ± 0.003°
• γ: 90°
• Cell volume: 3860.9 ± 0.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.2073
• Residual factor for significantly intense reflections: 0.1314
• Weighted residual factors for significantly intense reflections: 0.3203
• Weighted residual factors for all reflections included in the refinement: 0.3655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No