Information card for entry 7037712

Structure parameters

• Formula: C76 H70 Cl4 Dy4 N6 O16
• Calculated formula: C76 H70 Cl4 Dy4 N6 O16
• SMILES: c1c2c3c([O]4[Dy]56789([n]%10c%11c([O]6[Dy]6%12%13%14%15([n]%16cccc%17cccc(c%16%17)[O]%12[Dy]%12%16%17([n]%18cccc%19c%18c([O]%12[Dy]%12%184([n]3ccc2)([n]2cccc3cccc([O]5%12)c23)([O]=C(C)C=C(O%18)C)[OH]8%17)ccc%19)([O]%13c2cccc3ccc[n]6c23)(OC(=CC(=[O]%16)C)C)[OH]9%15)[O]=C(C)C=C(O%14)C)cccc%11ccc%10)OC(=CC(=[O]7)C)C)cc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: A family of tetranuclear quinolinolate Dy(iii)-based single-molecule magnets: effects of periphery ligand replacement on their magnetic relaxation.
• Authors of publication: Zhang, Da; Tian, Yong-Mei; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Zhang, Yi-Quan; Yan, Peng-Fei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2674 - 2680
• a: 12.1469 ± 0.0005 Å
• b: 24.892 ± 0.001 Å
• c: 13.3583 ± 0.0006 Å
• α: 90°
• β: 106.209 ± 0.004°
• γ: 90°
• Cell volume: 3878.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No