Information card for entry 7705919

Structure parameters

• Formula: C35 H57 Cl3 Fe2 N6 O22
• Calculated formula: C35 H57 Cl3 Fe2 N6 O22
• 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: 11.9932 ± 0.0003 Å
• b: 32.6022 ± 0.0008 Å
• c: 13.3067 ± 0.0003 Å
• α: 90°
• β: 113.752 ± 0.001°
• γ: 90°
• Cell volume: 4762.3 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.1091
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No