Information card for entry 1572532

Structure parameters

• Formula: C19 H19 F2 Mo N O5.5
• Calculated formula: C19 H19 F2 Mo N O5.5
• Title of publication: Ligand-to-metal charge transfer facilitates photocatalytic oxygen atom transfer (OAT) with cis-dioxo molybdenum(VI)-Schiff base complexes
• Authors of publication: Dreher, Thorsten; Geciauskas, Lukas; Steinfeld, Samuel; Procacci, Barbara; Whitwood, Adrian Charles; Lynam, Jason Martin; Douthwaite, Richard E.; Duhme-Klair, Anne-Kathrin
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 6.7559 ± 0.0004 Å
• b: 12.1951 ± 0.0007 Å
• c: 12.2098 ± 0.0007 Å
• α: 71.97 ± 0.005°
• β: 80.752 ± 0.005°
• γ: 77.252 ± 0.005°
• Cell volume: 928.33 ± 0.1 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No