Information card for entry 4111566

Structure parameters

• Formula: C16.86 H32 Cr2.81 Fe4 K0.45 N16.86 O16
• Calculated formula: C16.8 Cr2.8 Fe4 K0.48 N16.8 O15.84
• Title of publication: Pressure-Tuning of Magnetism and Linkage Isomerism in Iron(II) Hexacyanochromate
• Authors of publication: Eugenio Coronado; Mari Carmen Giménez-López; Georgiy Levchenko; Francisco M. Romero; Valentín García-Baonza; Alla Milner; Moshe Paz-Pasternak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4580 - 4581
• a: 10.6459 ± 0.0004 Å
• b: 10.6459 ± 0.0004 Å
• c: 10.6459 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1206.56 ± 0.08 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: 0.0628
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No