Information card for entry 7020598

Structure parameters

• Formula: C28 H33 Cu N11 O10 Tb W
• Calculated formula: C28 H21 Cu N11 O10 Tb W
• SMILES: C[O]1c2c3c(C=[N]4CC[N]5=Cc6cccc7c6[O]6[Cu]45[O]3[Tb]16([N]#C[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N)([OH2])([OH2])([O]7C)([OH2])[OH2])ccc2.C(#N)C.O.O
• Title of publication: Self-assembly of [Cu(II)Tb(III)](3+) and [W(CN)(8)](3-) tectons: a case study of a mixture containing two complexes showing slow-relaxation of the magnetization.
• Authors of publication: Visinescu, Diana; Jeon, Ie-Rang; Madalan, Augustin M.; Alexandru, Maria-Gabriela; Jurca, Bogdan; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 44
• Pages of publication: 13578 - 13581
• a: 9.0828 ± 0.0003 Å
• b: 20.1071 ± 0.0006 Å
• c: 10.2803 ± 0.0003 Å
• α: 90°
• β: 95.118 ± 0.002°
• γ: 90°
• Cell volume: 1869.99 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No