Information card for entry 2016653

Structure parameters

• Common name: [FeL1a(3-apy)(MeOH)]
• Chemical name: (3-aminopyridine-κN^1^){(<i>E</i>,<i>E</i>)-diethyl 2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis(3-oxobutanate)(2-)- κ^2^O^3^,N,N',O^3'^}(methanol-κO)iron(II)
• Formula: C26 H32 Fe N4 O7
• Calculated formula: C26 H32 Fe N4 O7
• SMILES: [Fe]123(OC(=C(C=[N]2c2ccccc2[N]3=CC(=C(O1)C)C(=O)OCC)C(=O)OCC)C)([OH]C)[n]1cccc(N)c1
• Title of publication: Magnetism and crystal structure of an N~3~O~3~-coordinated iron(II) complex
• Authors of publication: Bauer, Wolfgang; Weber, Birgit
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m237 - m239
• a: 11.234 ± 0.004 Å
• b: 11.576 ± 0.0011 Å
• c: 11.834 ± 0.003 Å
• α: 72.74 ± 0.017°
• β: 75.67 ± 0.03°
• γ: 68.91 ± 0.02°
• Cell volume: 1354 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes