Information card for entry 1576235

Structure parameters

• Chemical name: MoO(OtBuF9)2(py)3
• Formula: C22.69 H17.82 F15.19 Mo N3 O3 Si0.31
• Calculated formula: C22.694 H17.826 F15.192 Mo N3 O3 Si0.314
• Title of publication: Initiating olefin metathesis: alkylidenes from molecular Mo(iv)-oxo species, olefins and base-promoted proton transfer
• Authors of publication: Nater, Darryl F.; de Zwart, Felix J.; Kaeffer, Nicolas; Copéret, Christophe
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 9.7717 ± 0.0002 Å
• b: 9.8251 ± 0.0001 Å
• c: 15.0404 ± 0.0002 Å
• α: 89.254 ± 0.001°
• β: 75.633 ± 0.001°
• γ: 78.132 ± 0.001°
• Cell volume: 1367.84 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No