Information card for entry 4321690

Structure parameters

• Common name: L2Fe(2,6Lut)2(CH2Cl2)2
• Formula: C66 H72 Cl4 Fe N2 O4
• Calculated formula: C66 H72 Cl4 Fe N2 O4
• SMILES: C1(c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)=[O][Fe]2([n]3c(cccc3C)C)([n]3c(cccc3C)C)([O]=C(c3c(cccc3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)O2)O1.C(Cl)Cl.C(Cl)Cl
• Title of publication: N-Donor Effects on Carboxylate Binding in Mononuclear Iron(II) Complexes of a Sterically Hindered Benzoate Ligand
• Authors of publication: John R. Hagadorn; Lawrence Que,; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 6086 - 6090
• a: 30.5837 ± 0.0005 Å
• b: 10.4653 ± 0.0002 Å
• c: 22.0172 ± 0.0003 Å
• α: 90°
• β: 119.05°
• γ: 90°
• Cell volume: 6160.45 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.1626
• Weighted residual factors for significantly intense reflections: 0.1497
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No