Information card for entry 7049253

Structure parameters

• Formula: C58 H54 Dy2 F6 N6 O12 S2
• Calculated formula: C58 H54 Dy2 F6 N6 O12 S2
• Title of publication: High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance.
• Authors of publication: Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4931 - 4940
• a: 11.1327 ± 0.0009 Å
• b: 11.705 ± 0.0011 Å
• c: 12.383 ± 0.001 Å
• α: 99.306 ± 0.007°
• β: 96.452 ± 0.007°
• γ: 105.332 ± 0.007°
• Cell volume: 1515.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No