Information card for entry 4324757

Structure parameters

• Common name: 10093a
• Formula: C24.91 H51 F9.28 Fe N12 O2.72 S0.91 Sb1.09
• Calculated formula: C24.9075 H51 F9.2775 Fe N12 O2.7225 S0.9075 Sb1.0925
• Title of publication: Characterization of a Tricationic trigonal Bipyramidal Iron(IV) Cyanide Complex, with a Very High Reduction Potential, and Its Iron(II) and Iron(III) Congeners
• Authors of publication: Jason England; Erik R. Farquhar; Yisong Guo; Matthew A. Cranswick; Kallol Ray; Eckard Münck; Lawrence Que
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2885 - 2896
• a: 9.0565 ± 0.0013 Å
• b: 22.044 ± 0.003 Å
• c: 20.036 ± 0.003 Å
• α: 90°
• β: 98.969 ± 0.002°
• γ: 90°
• Cell volume: 3951.1 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No