Information card for entry 4338432

Structure parameters

• Formula: C49 H60 F Fe2 N4 P3
• Calculated formula: C49 H60 F Fe2 N4 P3
• SMILES: [Fe]123([Fe]([P](N1C(C)C)(c1ccccc1)c1ccccc1)([P](N2C(C)C)(c1ccccc1)c1ccccc1)([P](N3C(C)C)(c1ccccc1)c1ccccc1)=NC(C)(C)C)F
• Title of publication: One-electron oxidation chemistry and subsequent reactivity of diiron imido complexes.
• Authors of publication: Kuppuswamy, Subramaniam; Powers, Tamara M.; Johnson, Bruce M.; Brozek, Carl K.; Krogman, Jeremy P.; Bezpalko, Mark W.; Berben, Louise A.; Keith, Jason M.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5429 - 5437
• a: 20.8313 ± 0.001 Å
• b: 21.4462 ± 0.0011 Å
• c: 22.3595 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9989.2 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No