Information card for entry 7039941

Structure parameters

• Formula: C73 H86 N7 O31 Tb5
• Calculated formula: C73 H86 N7 O31 Tb5
• SMILES: [Tb]1234567[O]8[Tb]9%10%11%12%13%14[OH]%15[Tb]%16%17%18%19%20([OH]9[Tb]9%21([OH]%16[Tb]%16%22%15([OH]%109)([O]=C(O%13)c9ccccc9)(OC(=[O]%19)c9ccccc9)(ON(=[O]%16)=O)[O]=N(=O)O%22)([O]=C(O%20)c9ccccc9)(OC(=[O]%14)c9ccccc9)([OH2])[O]=N(=O)O%21)[O]1c1c(cc(C)cc1[O]%17C)C[N]14CC[N]5(Cc4c8c(OC)cc(C)c4)CC[N]6(CC[N]7(CC1)Cc1c([O]2%18)c(OC)cc(c1)C)Cc1c([O]3%11)c([O]%12C)cc(C)c1.OC
• Title of publication: Goblet-shaped pentanuclear lanthanide clusters assembled with a cyclen derivative ligand exhibiting slow magnetic relaxation.
• Authors of publication: Wang, Gaoji; Wei, Yongqin; Wu, Kechen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12734 - 12738
• a: 13.9326 ± 0.0017 Å
• b: 23.424 ± 0.003 Å
• c: 25.009 ± 0.003 Å
• α: 90°
• β: 98.824 ± 0.002°
• γ: 90°
• Cell volume: 8065.3 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No