Information card for entry 7135966

Structure parameters

• Formula: C64 H60 B4 Mo2 N18
• Calculated formula: C64 H60 B4 Mo2 N18
• 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: 16.7776 ± 0.0007 Å
• b: 25.0472 ± 0.0012 Å
• c: 15.4369 ± 0.0005 Å
• α: 90°
• β: 95.112 ± 0.004°
• γ: 90°
• Cell volume: 6461.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1647
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2944
• Weighted residual factors for all reflections included in the refinement: 0.3272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No