Information card for entry 7102243

Structure parameters

• Formula: C70.5 H114 Br2 Fe2 Na O12
• Calculated formula: C70.5 H114 Br2 Fe2 Na O12
• Title of publication: Unusual mixed valent FeIIIFeII complex (St = 3/2) stabilised by a reduced bulky 1,2-diketone.
• Authors of publication: Spikes, Geoffrey H; Bill, Eckhard; Weyhermüller, Thomas; Wieghardt, Karl
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4339 - 4341
• a: 38.156 ± 0.002 Å
• b: 50.415 ± 0.003 Å
• c: 15.8144 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30421 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0882
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No