Information card for entry 4320154

Structure parameters

• Common name: L3Fe(III)Cl3
• Chemical name: L3Fe(III)Cl3
• Formula: C12 H13 Cl3 Fe N3
• Calculated formula: C12 H13 Cl3 Fe N3
• 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: 15.6038 ± 0.0008 Å
• b: 8.4742 ± 0.0007 Å
• c: 22.751 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008.4 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for all reflections: 2.464
• Goodness-of-fit parameter for significantly intense reflections: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No