Information card for entry 7123909

Structure parameters

• Formula: C88 H78 B Dy N4 O4 P2
• Calculated formula: C88 H78 B Dy N4 O4 P2
• Title of publication: A Square Antiprism Dysprosium Single-Ion Magnet with Energy Barrier over 900 K
• Authors of publication: Bala, Sukhen; Huang, Guo-Zhang; Ruan, Ze-Yu; Wu, Si-Guo; Liu, Yang; Wang, Long-Fei; Liu, Jun-Liang; Tong, Ming-Liang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.8027 ± 0.0009 Å
• b: 19.3411 ± 0.0009 Å
• c: 18.5062 ± 0.0008 Å
• α: 90°
• β: 106.428 ± 0.002°
• γ: 90°
• Cell volume: 7141.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No