Information card for entry 4132932

Structure parameters

• Formula: C22 H24 Cl2 Fe N6 O8
• Calculated formula: C22 H24 Cl2 Fe N6 O8
• Title of publication: Photoinduced O₂-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex.
• Authors of publication: Wegeberg, Christina; Fernández-Alvarez, Víctor M; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 43
• Pages of publication: 14150 - 14160
• a: 16.4682 ± 0.0014 Å
• b: 12.3313 ± 0.001 Å
• c: 12.8238 ± 0.001 Å
• α: 90°
• β: 92.629 ± 0.004°
• γ: 90°
• Cell volume: 2601.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0969
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No