Information card for entry 7135968

Structure parameters

• Formula: C32 H32 B2 Mo N9
• Calculated formula: C32 H32 B2 Mo N9
• 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: 20.5125 ± 0.0006 Å
• b: 17.2977 ± 0.0005 Å
• c: 8.6069 ± 0.0002 Å
• α: 90°
• β: 98.619 ± 0.002°
• γ: 90°
• Cell volume: 3019.4 ± 0.14 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.065
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1737
• 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: No
• Has Fobs: No