Information card for entry 2202946

Structure parameters

• Chemical name: dichlorobis[2-(phenyliminomethyl)pyridine]iron(II) acetonitrile solvate
• Formula: C26 H23 Cl2 Fe N5
• Calculated formula: C26 H23 Cl2 Fe N5
• SMILES: [Fe]12(Cl)(Cl)([n]3ccccc3C=[N]1c1ccccc1)[n]1ccccc1C=[N]2c1ccccc1.N#CC
• Title of publication: Dichlorobis(2-formylpyridineanil)iron(II) acetonitrile solvate
• Authors of publication: Rajinder K. Chaggar; John Fawcett; Gregory A. Solan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m462 - m463
• a: 12.7838 ± 0.0007 Å
• b: 14.8194 ± 0.0008 Å
• c: 13.8905 ± 0.0008 Å
• α: 90°
• β: 109.677 ± 0.01°
• γ: 90°
• Cell volume: 2477.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes