Information card for entry 2006414

Structure parameters

• Chemical name: tris(8-hydroxyquinolinate)iron(III) ethanol solvate
• Formula: C29 H24 Fe N3 O4
• Calculated formula: C29 H24 Fe N3 O4
• SMILES: [Fe]123(Oc4cccc5ccc[n]1c45)(Oc1cccc4ccc[n]2c14)Oc1cccc2ccc[n]3c12.OCC
• Title of publication: Tris(8-hydroxyquinolinato)iron(III) Ethanol Solvate
• Authors of publication: Pech, Lucija; Bankovsky, Yurii A.; Kemme, Andrejs; Lejejs, Janis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1043 - 1045
• a: 11.189 ± 0.002 Å
• b: 13.416 ± 0.003 Å
• c: 19.409 ± 0.004 Å
• α: 90 ± 0.02°
• β: 120.73 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2504.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.156
• Weighted residual factors for significantly intense reflections: 0.141
• Goodness-of-fit parameter for all reflections: 0.944
• Goodness-of-fit parameter for significantly intense reflections: 0.972
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No