Information card for entry 7131420

Structure parameters

• Chemical name: Molybdenum bis(dipivaloylmethanate) dichloride
• Formula: C24 H41 Cl2 Mo N O4
• Calculated formula: C24 H41 Cl2 Mo N 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: 10.9632 ± 0.0005 Å
• b: 18.9755 ± 0.0007 Å
• c: 13.6819 ± 0.0006 Å
• α: 90°
• β: 92.743 ± 0.002°
• γ: 90°
• Cell volume: 2843 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No