Information card for entry 2202188

Structure parameters

• Formula: C24 H24 Fe N2 O6
• Calculated formula: C24 H24 Fe N2 O6
• SMILES: [Fe]12(OC(=O)c3ccc4ccccc4[n]13)(OC(=O)c1ccc3ccccc3[n]12)([OH]CC)[OH]CC
• Title of publication: <i>trans,trans,trans</i>-Diethanoldiquinaldinatoiron(II)
• Authors of publication: Osawa, Kunitoyo; Furutachi, Hideki; Fujinami, Shuhei; Suzuki, Masatastu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m315 - m316
• a: 5.816 ± 0.002 Å
• b: 9.557 ± 0.003 Å
• c: 19.948 ± 0.005 Å
• α: 90°
• β: 91.461 ± 0.007°
• γ: 90°
• Cell volume: 1108.4 ± 0.6 ų
• Cell temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes