Information card for entry 2013342

Structure parameters

• Formula: C21 H21 Fe O9
• Calculated formula: C21 H21 Fe O9
• SMILES: [Fe]123(OC4=C(O=CC=C4O1)CC)(OC1=C(O=CC=C1O2)CC)OC1=C(O3)C=CO=C1CC
• Title of publication: <i>fac</i>-Tris(2-ethyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)iron(III) and its aluminium(III) analog
• Authors of publication: Odoko, Mamiko; Yamamoto, Kyouta; Hosen, Masahiro; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m121 - m123
• a: 7.878 ± 0.003 Å
• b: 8.818 ± 0.004 Å
• c: 30.721 ± 0.002 Å
• α: 90°
• β: 90.8 ± 0.02°
• γ: 90°
• Cell volume: 2133.9 ± 1.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• 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: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes