Information card for entry 4070654

Structure parameters

• Formula: C52 H80 Fe Li N5 O3
• Calculated formula: C52 H80 Fe Li N5 O3
• Title of publication: Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives
• Authors of publication: Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 109
• a: 11.5992 ± 0.0009 Å
• b: 21.2974 ± 0.0015 Å
• c: 20.5979 ± 0.0015 Å
• α: 90°
• β: 93.886 ± 0.003°
• γ: 90°
• Cell volume: 5076.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No