Information card for entry 4301939

Structure parameters

• Formula: C122 H152 Cl3 Co3 Fe2 Mn N24 O26
• Calculated formula: C122 H152 Cl3 Co3 Fe2 Mn N24 O26
• Title of publication: Trigonal-Bipyramidal Metal Cyanide Complexes: A Versatile Platform for the Systematic Assessment of the Magnetic Properties of Prussian Blue Materials
• Authors of publication: Kristen E. Funck; Matthew G. Hilfiger; Curtis P. Berlinguette; Michael Shatruk; Wolfgang Wernsdorfer; Kim R. Dunbar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3438 - 3452
• a: 20.791 ± 0.002 Å
• b: 27.834 ± 0.003 Å
• c: 25.938 ± 0.003 Å
• α: 90°
• β: 108.387 ± 0.002°
• γ: 90°
• Cell volume: 14244 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2427
• Residual factor for significantly intense reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.2888
• Weighted residual factors for all reflections included in the refinement: 0.3493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No