Information card for entry 4345046

Structure parameters

• Formula: C32 H28 Cu N3 Na O4
• Calculated formula: C32 H28 Cu N3 Na O4
• SMILES: c12ccccc1C(N1[C@H](c3ccccc3)[C@H]([N]3=Cc4c(c(ccc4)OCC)O[Cu]13O2)c1ccccc1)=O.[Na+].c12ccccc1C(N1[C@@H](c3ccccc3)[C@@H]([N]3=Cc4c(c(ccc4)OCC)O[Cu]13O2)c1ccccc1)=O.[Na+].N#CC.N#CC
• Title of publication: Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).
• Authors of publication: Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1679 - 1695
• a: 17.2573 ± 0.0007 Å
• b: 13.7983 ± 0.0005 Å
• c: 23.6297 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5626.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No