Information card for entry 7060226

Structure parameters

• Formula: C72 H51 Cl6 Dy N3 O12 P3
• Calculated formula: C72 H51 Cl6 Dy N3 O12 P3
• SMILES: [Dy]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1c(Cl)cc(N(=O)=O)cc1Cl)(Oc1c(Cl)cc(N(=O)=O)cc1Cl)Oc1c(Cl)cc(N(=O)=O)cc1Cl
• Title of publication: Observation of field-induced single-ion magnet behavior in an octahedral dysprosium complex with a strong ligand field
• Authors of publication: Zhang, Chunyang; Liu, Mengyao; Cai, Xingwei; Chen, Lei; Liu, Yuan-Zhong; Cui, Huihui; Zhang, Shao-Liang; Yuan, Aihua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2404 - 2409
• a: 12.3202 ± 0.0002 Å
• b: 15.2533 ± 0.0003 Å
• c: 20.1701 ± 0.0004 Å
• α: 88.56 ± 0.001°
• β: 74.88 ± 0.001°
• γ: 76.917 ± 0.001°
• Cell volume: 3561.92 ± 0.12 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: 0.0906
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No