Information card for entry 2224004

Structure parameters

• Chemical name: Bis[<i>N</i>-(2-pyridylcarbonyl)pyridine-2-carboximidato]iron(III) perchlorate methanol solvate
• Formula: C25 H20 Cl Fe N6 O9
• Calculated formula: C25 H20 Cl Fe N6 O9
• SMILES: [Fe]1234(N(C(=O)c5[n]2cccc5)C(=O)c2[n]1cccc2)[n]1ccccc1C(=O)N3C(=O)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].CO
• Title of publication: Bis[<i>N</i>-(2-pyridylcarbonyl)pyridine-2-carboximidato]iron(III) perchlorate methanol solvate
• Authors of publication: Wu, Dayu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1340
• a: 8.799 ± 0.003 Å
• b: 11.603 ± 0.004 Å
• c: 14.356 ± 0.006 Å
• α: 109.507 ± 0.004°
• β: 103.394 ± 0.003°
• γ: 100.091 ± 0.003°
• Cell volume: 1292 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes