Information card for entry 4331909

Structure parameters

• Formula: C43 H66 Fe K N4 O2
• Calculated formula: C43 H66 Fe K N4 O2
• SMILES: [Fe]12(N(C(=C)c3[n]1c(ccc3)C(=C)N2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N]([K](O(CC)CC)[O](CC)CC)(C)C
• Title of publication: Bis(imino)pyridine Ligand Deprotonation Promoted by a Transient Iron Amide
• Authors of publication: Bouwkamp, Marco W.; Lobkovsky, Emil; Chirik, Paul J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 2 - 4
• a: 13.0345 ± 0.0009 Å
• b: 19.0398 ± 0.0014 Å
• c: 17.7903 ± 0.0014 Å
• α: 90°
• β: 94.093 ± 0.002°
• γ: 90°
• Cell volume: 4403.8 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No