Information card for entry 1559657

Structure parameters

• Chemical name: 1LT
• Formula: C51 H52 Dy N5 O8 P2 S3
• Calculated formula: C51 H52 Dy N5 O8 P2 S3
• SMILES: [Dy](N=C=S)(N=C=S)(N=C=S)([O]=P(Cc1c2ccccc2cc2ccccc12)(OCC)OCC)([O]=P(Cc1c2ccccc2cc2ccccc12)(OCC)OCC)([O]=c1cc[nH]cc1)[O]=c1cc[nH]cc1
• Title of publication: Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.
• Authors of publication: Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 929 - 937
• a: 9.592 ± 0.014 Å
• b: 11.701 ± 0.019 Å
• c: 26.2 ± 0.04 Å
• α: 90.03 ± 0.07°
• β: 91.86 ± 0.04°
• γ: 112.38 ± 0.07°
• Cell volume: 2717 ± 7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1557
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2531
• Weighted residual factors for all reflections included in the refinement: 0.2777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No