Information card for entry 4114476

Structure parameters

• Formula: C24 H41 B F6 Fe2 N9.5 O5.25 P
• Calculated formula: C24 H39.5 B F6 Fe2 N9.5 O5.25 P
• Title of publication: Mixed-Valent {FeIV(μ-O)(μ-carboxylato)2FeIII}3+ Core
• Authors of publication: Leonardo D. Slep; Ana Mijovilovich; Wolfram Meyer-Klaucke; Thomas Weyhermüller; Eckhard Bill; Eberhard Bothe; Frank Neese; Karl Wieghardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15554 - 15570
• a: 32.721 ± 0.004 Å
• b: 49.518 ± 0.005 Å
• c: 8.609 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13949 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.1063
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No