Information card for entry 7107950

Structure parameters

• Formula: C51 H99 Dy3 N10 O28
• Calculated formula: C51 H89 Dy3 N10 O28
• SMILES: [Dy]12345([NH]6Cc7c8[O]2[Dy]29%10%11([NH](Cc%12cc(cc%13C[NH]%14[Dy]%15([NH](Cc%16cc(cc(C[NH]1[C@H]1[C@H]6CCCC1)c%16[O]3%15)C)[C@@H]1CCCC[C@@H]%141)([O]9c%12%13)([OH2])([OH2])([OH]4%10)[OH]5%11)C)[C@@H]1CCCC[C@H]1[NH]2Cc8cc(c7)C)([OH2])ON(=O)=O)([OH2])ON(=O)=O.N(=O)(=O)[O-].N(=O)(=O)[O-].OC.OC.OC.OC.OC.OC.O.[Dy]12345([NH]6Cc7c8[O]2[Dy]29%10%11([NH](Cc%12cc(cc%13C[NH]%14[Dy]%15([NH](Cc%16cc(cc(C[NH]1[C@@H]1[C@@H]6CCCC1)c%16[O]3%15)C)[C@H]1CCCC[C@H]%141)([O]9c%12%13)([OH2])([OH2])([OH]4%10)[OH]5%11)C)[C@H]1CCCC[C@@H]1[NH]2Cc8cc(c7)C)([OH2])ON(=O)=O)([OH2])ON(=O)=O.N(=O)(=O)[O-].N(=O)(=O)[O-].OC.OC.OC.OC.OC.OC.O
• Title of publication: Macrocyclic ligand encapsulating dysprosium triangles: axial ligands perturbed magnetic dynamics
• Authors of publication: Shuang-Yan Lin; Yun-Nan Guo; Yang Guo; Lang Zhao; Peng Zhang; Hongshan Ke; Jinkui Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6924
• a: 14.833 ± 0.002 Å
• b: 16.5643 ± 0.0012 Å
• c: 16.577 ± 0.0012 Å
• α: 119.774 ± 0.001°
• β: 100.183 ± 0.001°
• γ: 90.507 ± 0.001°
• Cell volume: 3457.3 ± 0.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No