Information card for entry 2201574

Structure parameters

• Common name: 1,1,1-tris(2-hydroxybenzylideneaminomethyl)propane iron(III)
• Chemical name: 1,1,1-tris(2-hydroxybenzylideneaminomethyl)propane iron(III)
• Formula: C28 H27 Cl3 Fe N3 O3
• Calculated formula: C28 H27 Cl3 Fe N3 O3
• SMILES: [Fe]12345Oc6ccccc6C=[N]3CC(C[N]4=Cc3ccccc3O1)(C[N]5=Cc1ccccc1O2)CC.ClC(Cl)Cl
• Title of publication: 1,1,1-Tris(2-hydroxybenzylideneamino)methylpropane iron(III) chloroform solvate
• Authors of publication: Reglinski, John; Patykiewicz, Marta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m543 - m544
• a: 13.6479 ± 0.0002 Å
• b: 18.8071 ± 0.0002 Å
• c: 21.6016 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5544.64 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes