Information card for entry 1574464

Structure parameters

• Formula: C50 H52 Dy N5 O11 P2 Se2
• Calculated formula: C50 H52 Dy N5 O11 P2 Se2
• SMILES: [Dy]1(ON(=[O]1)=O)([O]=P(OCC)(OCC)Cc1c2ccccc2cc2c1cccc2)([O]=P(OCC)(OCC)Cc1c2ccccc2cc2c1cccc2)([O]=C1C=CNC=C1)([O]=C1C=CNC=C1)(N=C=[Se])N=C=[Se]
• Title of publication: A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition
• Authors of publication: Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 10340 - 10348
• a: 9.6729 ± 0.0005 Å
• b: 11.1667 ± 0.0006 Å
• c: 25.6156 ± 0.0016 Å
• α: 90.315 ± 0.002°
• β: 92.411 ± 0.002°
• γ: 112.001 ± 0.002°
• Cell volume: 2562.4 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0409
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0398
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No