Information card for entry 7062162

Structure parameters

• Formula: C54 H32 Dy F9 N2 O6
• Calculated formula: C54 H32 Dy F9 N2 O6
• SMILES: [Dy]1234(OC(=CC(=[O]1)c1ccc5ccccc5c1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)c1ccc2ccccc2c1)(OC(=CC(=[O]3)c1ccc2ccccc2c1)C(F)(F)F)[n]1cccc2c1c1[n]4cccc1cc2
• Title of publication: Slow magnetic relaxation of a mononuclear dysprosium complex derived from 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione and 1,10-phenanthroline
• Authors of publication: Liu, Shan-Shan; Guo, Qi-Ming; Liu, Bin; Jin, Teng-Hui; Zhang, Zi-Hao; Lin, Shijing; Meng, Yin-Shan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 2324 - 2328
• a: 9.8832 ± 0.0002 Å
• b: 11.2677 ± 0.0003 Å
• c: 23.1419 ± 0.0005 Å
• α: 87.573 ± 0.002°
• β: 79.458 ± 0.002°
• γ: 65.072 ± 0.002°
• Cell volume: 2295.82 ± 0.1 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No