Information card for entry 4111904

Structure parameters

• Formula: C152 H165 Cl Mn26 N24 O69
• Calculated formula: C148.5 H153.03 Cl Mn26 N24 O63.5
• Title of publication: Metallacryptate Single-Molecule Magnets: Effect of Lower Molecular Symmetry on Blocking Temperature
• Authors of publication: Curtis M. Zaleski; Ezra C. Depperman; Catherine Dendrinou-Samara; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Martin L. Kirk; Vincent L. Pecoraro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12862 - 12872
• a: 20.2656 ± 0.0012 Å
• b: 20.2656 ± 0.0012 Å
• c: 33.203 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11809.4 ± 1.7 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No