Information card for entry 7705920

Structure parameters

• Formula: C41 H64 Cl4 Fe2 N6 O26
• Calculated formula: C41 H64 Cl4 Fe2 N6 O25.875
• Title of publication: Bioinspired symmetrical and unsymmetrical diiron complexes for selective oxidation catalysis with hydrogen peroxide.
• Authors of publication: Trehoux, Alexandre; Guillot, Régis; Clemancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Mahy, Jean-Pierre; Avenier, Frédéric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16657 - 16661
• a: 28.7372 ± 0.0012 Å
• b: 12.3704 ± 0.0005 Å
• c: 19.2633 ± 0.0007 Å
• α: 90°
• β: 109.384 ± 0.001°
• γ: 90°
• Cell volume: 6459.8 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.2774
• Weighted residual factors for all reflections included in the refinement: 0.2963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No