Information card for entry 4318658

Structure parameters

• Formula: C18 H16 Br2 Cl2 Fe N4
• Calculated formula: C18 H16 Br2 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: 8.4198 ± 0.0005 Å
• b: 10.9214 ± 0.0008 Å
• c: 11.3218 ± 0.0007 Å
• α: 90°
• β: 99.201 ± 0.009°
• γ: 90°
• Cell volume: 1027.71 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes