Information card for entry 7131422

Structure parameters

• Chemical name: molybdenum oxo bis(dipivaloylmethanate) triflate
• Formula: C23 H38 F3 Mo O8 S
• Calculated formula: C23 H38 F3 Mo O8 S
• Title of publication: Molybdenum(IV) β-diketonate complexes as highly active catalysts for allylic substitution reactions.
• Authors of publication: Masero, Fabio; Mougel, Victor
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 31
• Pages of publication: 4636 - 4639
• a: 19.0456 ± 0.0002 Å
• b: 17.8906 ± 0.0001 Å
• c: 17.0806 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5820 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No