Information card for entry 7131418

Structure parameters

• Chemical name: Molybdenum bis(acetylacetonate) dichloride
• Formula: C10 H14 Cl2 Mo O4
• Calculated formula: C10 H14 Cl2 Mo O4
• 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: 7.2362 ± 0.0005 Å
• b: 7.3583 ± 0.0005 Å
• c: 7.9687 ± 0.0006 Å
• α: 92.355 ± 0.003°
• β: 112.501 ± 0.003°
• γ: 118.207 ± 0.003°
• Cell volume: 332.36 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No