Information card for entry 7041249

Structure parameters

• Formula: C66 H60 Dy2 N6 O14
• Calculated formula: C66 H60 Dy2 N6 O14
• SMILES: C1=[N]2NC(c3c(O)cccc3)=[O][Dy]3452([O]=CN(C)C)([O]2c6c1cccc6[O](C)[Dy]1672([N](=Cc2c(c(ccc2)[O]4C)[O]31)NC(c1c(O)cccc1)=[O]7)([O]=CN(C)C)OC(=CC(=[O]6)c1ccccc1)c1ccccc1)OC(=CC(=[O]5)c1ccccc1)c1ccccc1
• Title of publication: Fine-tuning terminal solvent ligands to rationally enhance the energy barrier in dinuclear dysprosium single-molecule magnets.
• Authors of publication: Zhang, Kun; Yuan, Chen; Guo, Fu-Sheng; Zhang, Yi-Quan; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 186 - 192
• a: 26.984 ± 0.016 Å
• b: 10.811 ± 0.007 Å
• c: 21.325 ± 0.013 Å
• α: 90°
• β: 103.361 ± 0.011°
• γ: 90°
• Cell volume: 6053 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No