Information card for entry 4112103

Structure parameters

• Formula: C92 H132 Al4 Cl2 Fe2 N6
• Calculated formula: C92 H132 Al4 Cl2 Fe2 N6
• Title of publication: Formation of a Paramagnetic Al Complex and Extrusion of Fe during the Reaction of (Diiminepyridine)Fe with AlR3 (R = Me, Et)
• Authors of publication: Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Quinten Knijnenburg; Bas de Bruin; Peter H. M. Budzelaar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 17204 - 17206
• a: 10.676 ± 0.004 Å
• b: 19.708 ± 0.007 Å
• c: 21.15 ± 0.007 Å
• α: 82.262 ± 0.006°
• β: 89.088 ± 0.006°
• γ: 87.984 ± 0.006°
• Cell volume: 4406 ± 3 ų
• Cell temperature: 207 ± 2 K
• Ambient diffraction temperature: 207 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No