Information card for entry 4301940

Structure parameters

• Formula: C122 H147 Cl3 Co3 Fe2 Mn1.5 N24 O26.5
• Calculated formula: C122 H147 Cl3 Co3 Fe2 Mn1.5 N24 O26.5
• 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: 17.681 ± 0.004 Å
• b: 20.615 ± 0.004 Å
• c: 23.986 ± 0.005 Å
• α: 105.07 ± 0.03°
• β: 107.88 ± 0.03°
• γ: 91.15 ± 0.03°
• Cell volume: 7987 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2793
• Residual factor for significantly intense reflections: 0.1311
• Weighted residual factors for significantly intense reflections: 0.3375
• Weighted residual factors for all reflections included in the refinement: 0.4204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No