Information card for entry 4331294

Structure parameters

• Formula: C49.5 H57 Mn4 N15 O8.5
• Calculated formula: C49.5 H57 Mn4 N15 O8.5
• Title of publication: Mn4 Single-Molecule-Magnet-Based Polymers of a One-Dimensional Helical Chain and a Three-Dimensional Network: Syntheses, Crystal Structures, and Magnetic Properties
• Authors of publication: Hui-Lien Tsai; Chen-I Yang; Wolfgang Wernsdorfer; Siang-Hua Huang; Siang-Yu Jhan; Ming-Hsuan Liu; Gene-Hsiang Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13171 - 13180
• a: 19.3717 ± 0.0007 Å
• b: 19.3717 ± 0.0007 Å
• c: 52.616 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17099.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No