Information card for entry 4324734

Structure parameters

• Formula: C59 H69 Mn9 N6 O28
• Calculated formula: C59.01 H69.03 Mn9 N6 O28
• Title of publication: A Novel 9-MC-3 and 15-MC-6 Onset Stacked Metallacrown Single-Molecule Magnet: Synthesis and Crystal Structure
• Authors of publication: Suna Wang; Lingqian Kong; Hua Yang; Zhoutong He; Zheng Jiang; Dacheng Li; Suyuan Zeng; Meiju Niu; You Song; Jianmin Dou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2705 - 2707
• a: 26.05 ± 0.002 Å
• b: 26.05 ± 0.002 Å
• c: 26.05 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17678 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No