Information card for entry 4338433

Structure parameters

• Formula: C60 H78 F Fe2 N4 P3
• Calculated formula: C60 H78 F Fe2 N4 P3
• 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: 16.4778 ± 0.001 Å
• b: 13.4765 ± 0.0008 Å
• c: 25.2258 ± 0.0015 Å
• α: 90°
• β: 97.254 ± 0.003°
• γ: 90°
• Cell volume: 5556.9 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No