Information card for entry 2228543

Structure parameters

• Chemical name: Dichlorido{1-[(2-hydroxyethyl)iminomethyl]-2-naphtholato}pyridineiron(III) pyridine monosolvate
• Formula: C23 H22 Cl2 Fe N3 O2
• Calculated formula: C23 H22 Cl2 Fe N3 O2
• SMILES: [Fe]12(Cl)(Cl)([N](CC[OH]1)=Cc1c(O2)ccc2c1cccc2)[n]1ccccc1.n1ccccc1
• Title of publication: Dichlorido{1-[(2-hydroxyethyl)iminomethyl]-2-naphtholato}pyridineiron(III) pyridine monosolvate
• Authors of publication: Liu, Shizheng; Yang, Jie; Lv, Lei; Li, Dacheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1585
• a: 7.859 ± 0.0006 Å
• b: 10.0153 ± 0.0011 Å
• c: 14.4884 ± 0.0016 Å
• α: 90°
• β: 90.123 ± 0.001°
• γ: 90°
• Cell volume: 1140.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes