Information card for entry 7040932

Structure parameters

• Formula: C34 H36 Cl2 Dy2 N8 O8
• Calculated formula: C34 H36 Cl2 Dy2 N8 O8
• SMILES: c12c(OC)cccc1C=[N]1[Dy]34(O2)(Cl)([n]2c(C5=N[N]6=Cc7c(c(ccc7)OC)O[Dy]76([n]6c(C(=N1)[O]37)cccc6)([O]45)([O]=CN(C)C)Cl)cccc2)[O]=CN(C)C
• Title of publication: Terminal solvent effects on the anisotropy barriers of Dy2 systems.
• Authors of publication: Jiang, Y.; Brunet, G.; Holmberg, R. J.; Habib, F.; Korobkov, I.; Murugesu, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16709 - 16715
• a: 9.284 ± 0.0005 Å
• b: 12.1401 ± 0.0006 Å
• c: 17.509 ± 0.0008 Å
• α: 90°
• β: 98.4461 ± 0.0011°
• γ: 90°
• Cell volume: 1952.01 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No