Information card for entry 7041964

Structure parameters

• Chemical name: {Dy8} (2)
• Formula: C128 H152 Dy8 N64 O32
• Calculated formula: C128 H104 Dy8 N64 O14
• SMILES: [Dy]1234567[OH][Dy]89%10%11%12%13[OH][Dy]%14%15%16%17%18([OH][Dy]%19%20%21%22%23([OH][Dy]%24%25%26%27%28([OH][Dy]%29%30%31%32%33([OH][Dy]%34%35%36%37%38([OH][Dy]%39%40%41([OH]1)([n]1n%36c(nc1c1[n]%39cccc1)CCc1[n]%35n%33c(n1)c1[n]%32cccc1)([n]1n%38c(nc1CCc1n%40[n]4c(n1)c1[n]5cccc1)c1[n]%37cccc1)[n]1ccccc1c1n%41[n]6c(n1)CCc1n7[n]%12c(n1)c1[n]%13cccc1)[n]1n%31c(nc1c1[n]%34cccc1)CCc1[n]%30n%28c(n1)c1[n]%27cccc1)[n]1n%26c(nc1c1[n]%29cccc1)CCc1[n]%25n%23c(n1)c1[n]%22cccc1)[n]1n%21c(nc1c1[n]%24cccc1)CCc1[n]%20n%18c(n1)c1[n]%17cccc1)[n]1n%16c(nc1c1[n]%19cccc1)CCc1[n]%15n%11c(n1)c1[n]%10cccc1)[n]1n9c(nc1c1[n]%14cccc1)CCc1[n]8n3c(n1)c1[n]2cccc1.O.O.O.O.O.O
• Title of publication: Di- and octa-nuclear dysprosium clusters derived from pyridyl-triazole based ligand: {Dy2} showing single molecule magnetic behaviour.
• Authors of publication: Akhtar, Muhammad Nadeem; Liao, Xiao-Fen; Chen, Yan-Cong; Liu, Jun-Liang; Tong, Ming-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2981 - 2987
• a: 22.003 ± 0.002 Å
• b: 30.483 ± 0.003 Å
• c: 24.946 ± 0.002 Å
• α: 90°
• β: 108.674 ± 0.002°
• γ: 90°
• Cell volume: 15851 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2193
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.3112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No