Information card for entry 4338434

Structure parameters

• Formula: C53 H66 F Fe2 N3 O3.5 P3
• Calculated formula: C53 H66 F Fe2 N3 O3.5 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: 10.5016 ± 0.0006 Å
• b: 12.5484 ± 0.0008 Å
• c: 19.7979 ± 0.0011 Å
• α: 91.606 ± 0.003°
• β: 95.472 ± 0.003°
• γ: 90.287 ± 0.003°
• Cell volume: 2595.9 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No