Information card for entry 7024030

Structure parameters

• Formula: C52 H40 Fe2 N4 O5
• Calculated formula: C52 H40 Fe2 N4 O5
• SMILES: [Fe]12(Oc3ccccc3C=[N]1c1ccccc1)(Oc1ccccc1C=[N]2c1ccccc1)O[Fe]12(Oc3ccccc3C=[N]1c1ccccc1)Oc1ccccc1C=[N]2c1ccccc1
• Title of publication: Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).
• Authors of publication: Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2309 - 2326
• a: 22.401 ± 0.008 Å
• b: 10.356 ± 0.004 Å
• c: 18.818 ± 0.007 Å
• α: 90°
• β: 90.827 ± 0.007°
• γ: 90°
• Cell volume: 4365 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No