Information card for entry 4108668

Structure parameters

• Formula: C16.86 H32 Cr2.81 Fe4 K0.45 N16.86 O16
• Calculated formula: C16.8 Cr2.8 Fe4 K0.48 N8.4 O24.48
• Title of publication: Pressure-Induced Magnetic Switching and Linkage Isomerism in K0.4Fe4[Cr(CN)6]2.8.16H2O: X-ray Absorption and Magnetic Circular Dichroism Studies
• Authors of publication: Eugenio Coronado; Mari Carmen Giménez-López; Tomasz Korzeniak; Georgiy Levchenko; Francisco M. Romero; Alfredo Segura; Valentín García-Baonza; Julio C. Cezar; Frank M. F. de Groot; Alla Milner; Moshe Paz-Pasternak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15519 - 15532
• a: 10.672 ± 0.0002 Å
• b: 10.672 ± 0.0002 Å
• c: 10.672 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1215.45 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No