Information card for entry 1558607

Structure parameters

• Formula: C24 H34 Cr N4 O4
• Calculated formula: C24 H34 Cr N4 O4
• SMILES: CC1=CC(C)=[O][Cr]2(O1)([n]1ccc(cc1)N(C)C)([n]1ccc(cc1)N(C)C)[O]=C(C)C=C(C)O2
• Title of publication: Ligand field-actuated redox-activity of acetylacetonate
• Authors of publication: Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 31
• Pages of publication: 8267 - 8272
• a: 7.9894 ± 0.0007 Å
• b: 8.5405 ± 0.0008 Å
• c: 9.4779 ± 0.0009 Å
• α: 103.054 ± 0.008°
• β: 101.71 ± 0.008°
• γ: 92.188 ± 0.007°
• Cell volume: 614.49 ± 0.1 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0983
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No