Information card for entry 2217840

Structure parameters

• Chemical name: Tetrakis(μ-pivalato-κ^2^O:O')bis[(2-methylpyridine-κN)iron(II)]
• Formula: C32 H50 Fe2 N2 O8
• Calculated formula: C32 H50 Fe2 N2 O8
• SMILES: [n]1(c(cccc1)C)[Fe]1234[O]=C(C(C)(C)C)O[Fe]4([n]4c(cccc4)C)([O]=C(C(C)(C)C)O1)(OC(C(C)(C)C)=[O]3)[O]=C(C(C)(C)C)O2
• Title of publication: Tetrakis(μ-pivalato-κ^2^<i>O</i>:<i>O</i>')bis[(2-methylpyridine-κ<i>N</i>)iron(II)](<i>Fe</i>—<i>Fe</i>)
• Authors of publication: Overgaard, Jacob; Timco, Grigore A.; Larsen, Finn K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m497
• a: 9.5387 ± 0.0008 Å
• b: 10.5403 ± 0.0009 Å
• c: 10.5546 ± 0.0009 Å
• α: 64.138 ± 0.002°
• β: 83.6 ± 0.002°
• γ: 72.09 ± 0.002°
• Cell volume: 908.3 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes