Information card for entry 4109586

Structure parameters

• Formula: C190.5 H178.75 Cl4 N19.25 Ni4 P12 Re4
• Calculated formula: C190.5 H178.75 Cl4 N19.25 Ni4 P12 Re4
• Title of publication: A Family of Mixed-Metal Cyanide Cubes with Alternating Octahedral and Tetrahedral Corners Exhibiting a Variety of Magnetic Behaviors Including Single Molecule Magnetism
• Authors of publication: Eric J. Schelter; Ferdi Karadas; Carolina Avendano; Andrey V. Prosvirin; Wolfgang Wernsdorfer; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8139 - 8149
• a: 67.154 ± 0.013 Å
• b: 19.104 ± 0.004 Å
• c: 32.685 ± 0.007 Å
• α: 90°
• β: 106.96 ± 0.03°
• γ: 90°
• Cell volume: 40108 ± 16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.1876
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No