Information card for entry 4318660

Structure parameters

• Formula: C18 H18 Cl2 Fe N4
• Calculated formula: C18 H18 Cl2 Fe N4
• Title of publication: Trigonal Bipyramidal Geometry and Tridentate Coordination Mode of the Tripod in FeCl2 Complexes with Tris(2-pyridylmethyl)amine Derivatives Bis-α-Substituted with Bulky Groups. Structures and Spectroscopic Comparative Studies
• Authors of publication: Dominique Mandon; Ahmed Machkour; Sandrine Goetz; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5364 - 5372
• a: 18.516 ± 0.001 Å
• b: 16.157 ± 0.001 Å
• c: 25.45 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7613.7 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.806
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes