Information card for entry 7056220

Structure parameters

• Formula: C45 H48 Cl6 Cu6 N8 O12 Tb2
• Calculated formula: C45 H48 Cl6 Cu6 N8 O12 Tb2
• SMILES: C1C[O]2[Cu]3([n]4ccccc4C45[O]3[Tb]36782[N]21CC[O]3[Cu]1([n]3ccccc3C3([O]71)c1cccc[n]1[Cu]1([O]7CC[N]9%10CC[O]%11[Cu]%12([n]%13ccccc%13C%13(c%14cccc[n]%14[Cu]([O]6CC2)([O]8%13)Cl)[O]%12[Tb]27%10%11([O](CC9)[Cu]([n]6ccccc46)([O]52)Cl)[O]31)Cl)Cl)Cl)Cl
• Title of publication: Syntheses, Crystal Structures, and Magnetic Properties of a Family of Heterometallic Octanuclear [Cu6Ln2] (Ln = Dy(III), Tb(III), Ho(III), Er(III), and Gd(III)) Complexes
• Authors of publication: Wang, Hui-Sheng; Yang, Feng-Jun; Long, Qiao-Qiao; Huang, Zhi-Yong; Chen, Wei; Pan, Zhiquan
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 5884 - 5892
• a: 15.8523 ± 0.0006 Å
• b: 15.8523 ± 0.0006 Å
• c: 44.49 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9682.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.3294
• Weighted residual factors for all reflections included in the refinement: 0.3585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No