Information card for entry 4113200

Structure parameters

• Formula: C191.25 H179.25 Cl4 Mn4 N18 O1.75 P12 Re4
• Calculated formula: C191.25 H179.25 Cl4 Mn4 N18 O1.75 P12 Re4
• Title of publication: Molecular Cube of ReII and MnII That Exhibits Single-Molecule Magnetism
• Authors of publication: Eric J. Schelter; Andrey V. Prosvirin; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15004 - 15005
• a: 66.959 ± 0.013 Å
• b: 18.977 ± 0.004 Å
• c: 32.682 ± 0.007 Å
• α: 90°
• β: 106.92 ± 0.03°
• γ: 90°
• Cell volume: 39731 ± 16 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: 0.115
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No