Information card for entry 2211448

Structure parameters

• Chemical name: Tris(quinolin-8-olato-κ^2^N,O)iron(III) methanol solvate
• Formula: C28 H22 Fe N3 O4
• Calculated formula: C28 H22 Fe N3 O4
• SMILES: [Fe]123(Oc4cccc5ccc[n]1c45)(Oc1cccc4ccc[n]2c14)Oc1cccc2ccc[n]3c12.OC
• Title of publication: Tris(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)iron(III) methanol solvate
• Authors of publication: Guang Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3383 - m3384
• a: 10.868 ± 0.001 Å
• b: 13.246 ± 0.001 Å
• c: 17.288 ± 0.001 Å
• α: 90°
• β: 97.729 ± 0.001°
• γ: 90°
• Cell volume: 2466.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes