Information card for entry 4111680

Structure parameters

• Common name: {[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3
• Chemical name: {[Co(bpy)2]3[Fe(CN)6]2}[Fe(CN)6]1/3
• Formula: C74 H88 Co3 Fe2.33 N26 O20
• Calculated formula: C73.98 H48 Co3 Fe2.33 N25.98 O20.01
• Title of publication: A Charge-Transfer-Induced Spin Transition in a Discrete Complex: The Role of Extrinsic Factors in Stabilizing Three Electronic Isomeric Forms of a Cyanide-Bridged Co/Fe Cluster
• Authors of publication: Curtis P. Berlinguette; Alina Dragulescu-Andrasi; Andreas Sieber; Hans-Ulrich Güdel; Catalina Achim; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 6766 - 6779
• a: 18.53 ± 0.003 Å
• b: 18.53 ± 0.003 Å
• c: 31.483 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9362 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No