Information card for entry 4338435

Structure parameters

• Formula: C61 H84 F Fe2 N5 O1.5 P3
• Calculated formula: C61 H84 F Fe2 N5 O1.5 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: 23.772 ± 0.003 Å
• b: 12.7172 ± 0.0013 Å
• c: 41.521 ± 0.005 Å
• α: 90°
• β: 106.622 ± 0.006°
• γ: 90°
• Cell volume: 12028 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0987
• 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