Information card for entry 4326309

Structure parameters

• Formula: C30 H34 F6 Fe N12 O10 S2
• Calculated formula: C30 H34 F6 Fe N12 O10 S2
• Title of publication: Mono- and Dinuclear Iron Complexes of Bis(1-methylimidazol-2-yl)ketone (bik): Structure, Magnetic Properties, and Catalytic Oxidation Studies
• Authors of publication: Pieter C. A. Bruijnincx; Inge L. C. Buurmans; Yuxing Huang; Gergely Juhász; Marta Viciano-Chumillas; Manuel Quesada; Jan Reedijk; Martin Lutz; Anthony L. Spek; Eckard Münck; Emile L. Bominaar; Robertus J. M. Klein Gebbink
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9243 - 9255
• a: 25.85847 ± 0.00001 Å
• b: 50.00278 ± 0.0001 Å
• c: 11.81363 ± 0.00002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15275 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No