Information card for entry 4339321

Structure parameters

• Common name: [Fe4(O2Cbiph)8(Hind)2]
• Formula: C120 H88 Cl4 Fe4 N4 O16
• Calculated formula: C120 H88 Cl4 Fe4 N4 O16
• SMILES: c1[n]([Fe]2345[O]=C([O]6[Fe]5([O]=C(O2)c2ccccc2c2ccccc2)(OC(=[O]3)c2ccccc2c2ccccc2)([O]=C(O4)c2ccccc2c2ccccc2)[O]2C(=[O][Fe]345([n]7cc8ccccc8[nH]7)[O]=C(O[Fe]625([O]=C(O3)c2ccccc2c2ccccc2)[O]=C(O4)c2ccccc2c2ccccc2)c2ccccc2c2ccccc2)c2ccccc2c2ccccc2)c2ccccc2c2ccccc2)[nH]c2c1cccc2.C(Cl)Cl.C(Cl)Cl
• 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: 14.0208 ± 0.0015 Å
• b: 14.2725 ± 0.0015 Å
• c: 15.7331 ± 0.0016 Å
• α: 109.966 ± 0.002°
• β: 96.596 ± 0.002°
• γ: 115.812 ± 0.002°
• Cell volume: 2531.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No