Information card for entry 7703454

Structure parameters

• Formula: C44 H68 B3 Dy O5
• Calculated formula: C44 H68 B3 Dy O5
• Title of publication: Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.
• Authors of publication: Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3222 - 3227
• a: 13.651 ± 0.003 Å
• b: 13.265 ± 0.003 Å
• c: 24.81 ± 0.006 Å
• α: 90°
• β: 90.453 ± 0.003°
• γ: 90°
• Cell volume: 4492.5 ± 1.8 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250.15 K
• Number of distinct elements: 5
• 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: 0.0916
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No