Information card for entry 7131421

Structure parameters

• Chemical name: Molybdenum bis(pivaloylmethanate) bis(triflate)
• Formula: C24 H38 F6 Mo O10 S2
• Calculated formula: C24 H38 F6 Mo O10 S2
• 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: 10.835 ± 0.003 Å
• b: 16.573 ± 0.004 Å
• c: 18.382 ± 0.005 Å
• α: 90°
• β: 96.369 ± 0.004°
• γ: 90°
• Cell volume: 3280.5 ± 1.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No