Information card for entry 7004590

Structure parameters

• Formula: C49 H43 B Fe N5 O2.5
• Calculated formula: C49 H43 B Fe N5 O2.5
• 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: 13.052 ± 0.002 Å
• b: 11.58 ± 0.002 Å
• c: 27.714 ± 0.004 Å
• α: 90°
• β: 98.54 ± 0.04°
• γ: 90°
• Cell volume: 4142.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No