Information card for entry 7135969

Structure parameters

• Formula: C76 H86 B4 Mo2 N22 O4
• Calculated formula: C76 H86 B4 Mo2 N22 O4
• 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: 11.7383 ± 0.0005 Å
• b: 13.0096 ± 0.0006 Å
• c: 14.4825 ± 0.0007 Å
• α: 105.255 ± 0.001°
• β: 112.676 ± 0.001°
• γ: 97.513 ± 0.001°
• Cell volume: 1900.62 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No