Information card for entry 4111873

Structure parameters

• Formula: C26 H45 Fe K N7 O3
• Calculated formula: C26 H45 Fe K N7 O3
• SMILES: [Fe]123([N](CCN1C(=O)NC(C)(C)C)(CCN2C(=O)NC(C)(C)C)CC(=O)N3C(C)C)Nc1ccc(cc1)C.[K+]
• Title of publication: Preparation of Iron Amido Complexes via Putative Fe(IV) Imido Intermediates
• Authors of publication: Robie L. Lucas; Douglas R. Powell; A. S. Borovik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 11596 - 11597
• a: 10.256 ± 0.003 Å
• b: 11.65 ± 0.004 Å
• c: 14.419 ± 0.005 Å
• α: 108.008 ± 0.005°
• β: 100.887 ± 0.006°
• γ: 100.453 ± 0.006°
• Cell volume: 1555 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1066
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No