Information card for entry 7127474

Structure parameters

• Formula: C100 H164 Dy2 I6 O4 P4
• Calculated formula: C93 H156 Dy2 I6 O4 P4
• SMILES: [Dy]1([I][Dy]([I]1)(I)(I)([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)[O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)(I)(I)([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)[O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.c1(ccccc1)C.c1(ccccc1)C.c1c(cccc1)C
• Title of publication: High temperature quantum tunnelling of magnetization and thousand kelvin anisotropy barrier in a Dy₂ single-molecule magnet.
• Authors of publication: Wu, Haipeng; Li, Min; Xia, Zhengqiang; Montigaud, Vincent; Cador, Olivier; Le Guennic, Boris; Ke, Hongshan; Wang, Wenyuan; Xie, Gang; Chen, Sanping; Gao, Shengli
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 371 - 374
• a: 15.6886 ± 0.001 Å
• b: 28.4973 ± 0.0018 Å
• c: 23.6204 ± 0.0014 Å
• α: 90°
• β: 93.442 ± 0.002°
• γ: 90°
• Cell volume: 10541.2 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 152.98 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No