Information card for entry 7235837

Structure parameters

• Formula: C27 H30 Cr N3 O6
• Calculated formula: C27 H30 Cr N3 O6
• Title of publication: Metal acetylacetonate complexes for high energy density non-aqueous redox flow batteries
• Authors of publication: Suttil, J. A.; Kucharyson, J. F.; Escalante-Garcia, I. L.; Cabrera, P. J.; James, B. R.; Savinell, R. F.; Sanford, M. S.; Thompson, L. T.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 15
• Pages of publication: 7929
• a: 12.7622 ± 0.0016 Å
• b: 15.3268 ± 0.0003 Å
• c: 14.8815 ± 0.0011 Å
• α: 90°
• β: 114.351 ± 0.009°
• γ: 90°
• Cell volume: 2651.9 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No