Information card for entry 4320152

Structure parameters

• Common name: L1Fe(III)Cl3
• Chemical name: L1Fe(III)Cl3
• Formula: C18 H17 Br Cl3 Fe N4
• Calculated formula: C18 H17 Br Cl3 Fe N4
• 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: 20.602 ± 0.001 Å
• b: 14.5887 ± 0.0006 Å
• c: 14.2907 ± 0.0009 Å
• α: 90°
• β: 106.227 ± 0.004°
• γ: 90°
• Cell volume: 4124.1 ± 0.4 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for all reflections: 2.433
• Goodness-of-fit parameter for significantly intense reflections: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No