Information card for entry 4328876

Structure parameters

• Formula: C70 H94 Cl10 Mn7 N6 O27
• Calculated formula: C70 H94 Cl10 Mn7 N6 O27
• Title of publication: Half-Integer Spin Heptanuclear Single-Molecule Magnet with an Unusual MnIII6MnII Exchange-Coupled Core
• Authors of publication: Siou-Yin Chen; Christopher C. Beedle; Pei-Rung Gan; Gene-Hsian Lee; Stephen Hill; En-Che Yang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4448 - 4457
• a: 14.981 ± 0.0008 Å
• b: 22.1533 ± 0.0012 Å
• c: 13.1267 ± 0.0007 Å
• α: 90°
• β: 100.937 ± 0.0013°
• γ: 90°
• Cell volume: 4277.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No