Information card for entry 7024029

Structure parameters

• Formula: C30 H28 Cl Fe N2 O2
• Calculated formula: C30 H28 Cl Fe N2 O2
• SMILES: c12C=[N]([C@@H](c3ccccc3)C)[Fe]3(Oc1cccc2)(Cl)[N](=Cc1c(cccc1)O3)[C@H](C)c1ccccc1
• 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: 10.7396 ± 0.0003 Å
• b: 10.7396 ± 0.0003 Å
• c: 23.2848 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2685.65 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No