Information card for entry 7718035

Structure parameters

• Formula: C90 H130 Dy3 Mn5 N22 O39
• Calculated formula: C90 H130 Dy3 Mn5 N22 O39
• Title of publication: Semiquantitative studies on the correlations between the electrostatic potential of a single Dy^III ion and its energy barrier in the containing-Dy^III single molecule magnets.
• Authors of publication: Jiang, Jia-Rong; Zhu, Yu-Jie; Li, Wei-Nan; Zhou, Yang; Wang, Hui-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5050 - 5060
• a: 18.3119 ± 0.0009 Å
• b: 19.3604 ± 0.0009 Å
• c: 24.2054 ± 0.0013 Å
• α: 93.079 ± 0.002°
• β: 108.015 ± 0.002°
• γ: 106.125 ± 0.002°
• Cell volume: 7747.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No