Information card for entry 2207156

Structure parameters

• Chemical name: Dichloro(methanol-κO)[2-(2-pyridylmethyliminomethyl)phenolato- κ^3^N,N',O]iron(III)
• Formula: C14 H15 Cl2 Fe N2 O2
• Calculated formula: C14 H15 Cl2 Fe N2 O2
• SMILES: [Fe]12(Cl)(Cl)(Oc3ccccc3C=[N]1Cc1[n]2cccc1)[OH]C
• Title of publication: Dichloro(methanol-κ<i>O</i>)[2-(2-pyridylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]iron(III)
• Authors of publication: Jin-Hua Zhang; Jun Li; Feng-Xing Zhang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2338 - m2339
• a: 19.428 ± 0.001 Å
• b: 7.0016 ± 0.0005 Å
• c: 11.5352 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1569.1 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes