Information card for entry 4339329

Structure parameters

• Common name: [Fe3(O2Cbiph)6(dme)2]
• Formula: C86 H74 Fe3 O16
• Calculated formula: C86 H74 Fe3 O16
• SMILES: C[O]1CC[O]([Fe]2341[O](C(=[O]2)c1ccccc1c1ccccc1)[Fe]12([O]5C(=[O][Fe]65([O]=C(O1)c1ccccc1c1ccccc1)(OC(=[O]2)c1ccccc1c1ccccc1)[O](C)CC[O]6C)c1ccccc1c1ccccc1)([O]=C(O3)c1ccccc1c1ccccc1)OC(=[O]4)c1ccccc1c1ccccc1)C
• Title of publication: A planar carboxylate-rich tetraironII complex and its conversion to linear triironII and paddlewheel diironII complexes.
• Authors of publication: Reisner, Erwin; Telser, Joshua; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10754 - 10770
• a: 12.222 ± 0.013 Å
• b: 12.345 ± 0.009 Å
• c: 13.65 ± 0.011 Å
• α: 104.55 ± 0.02°
• β: 115.45 ± 0.02°
• γ: 90.96 ± 0.03°
• Cell volume: 1782 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No