Information card for entry 4320153

Structure parameters

• Common name: L2Fe(III)Cl3
• Chemical name: L2Fe(III)Cl3
• Formula: C25 H24 Cl3 Fe N4 O
• Calculated formula: C25 H24 Cl3 Fe N4 O
• Title of publication: Tridentate Coordination of Monosubstituted Derivatives of the Tris(2-pyridylmethyl)amine Ligand to FeCl3: Structures and Spectroscopic Properties of ((2-Bromopyridyl)methyl)bis- (2-pyridylmethyl)amine FeIIICl3 and (((2-p- Methoxyphenyl)pyridyl)methyl)Bis(2-pyridyl- methyl)]amine FeIIICl3 and Comparison with the Bis(2-pyridylmethyl)]amine FeIIICl3 Complex
• Authors of publication: Dominique Mandon; Agathe Nopper; Thomas Litrol; Sandrine Goetz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4803 - 4806
• a: 21.9206 ± 0.0006 Å
• b: 7.95 ± 0.0002 Å
• c: 15.2009 ± 0.0004 Å
• α: 90°
• β: 109.39 ± 0.01°
• γ: 90°
• Cell volume: 2498.79 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.1
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections: 1.748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No