Information card for entry 7004589

Structure parameters

• Formula: C20 H22 Cl2 Fe N5 O10
• Calculated formula: C20 H22 Cl2 Fe N5 O10
• SMILES: [Fe]1234(ONC(=[O]1)C)[n]1ccccc1C[N]4(Cc1[n]2cccc1)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and characterization of mononuclear hydroxamato and hydroximato complexes of iron(iii) based on the tris-(2-pyridylmethyl)amine ligand
• Authors of publication: Galardon, Erwan; Selkti, Mohamed; Roussel, Pascal; Tomas, Alain; Artaud, Isabelle
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6415 - 6420
• a: 11.098 ± 0.004 Å
• b: 12.376 ± 0.004 Å
• c: 13.055 ± 0.005 Å
• α: 83.11 ± 0.05°
• β: 75.24 ± 0.03°
• γ: 71.67 ± 0.04°
• Cell volume: 1644.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1058
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No