Information card for entry 7229973

Structure parameters

• Common name: [CuL30b]2SO4
• Formula: C26 H34 Cu2 N4 O10 S
• Calculated formula: C26 H34 Cu2 N4 O10 S
• SMILES: c1cccc2C[N]3[Cu]([n]12)(OC(=C(C=3)C(=O)C)C)OS(=O)(=O)O[Cu]12(OC(=C(C=[N]2Cc2cccc[n]12)C(=O)C)C)[OH]C.CO
• Title of publication: Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties
• Authors of publication: Dankhoff, Katja; Weber, Birgit
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 6
• Pages of publication: 818
• a: 12.76 ± 0.0018 Å
• b: 16.897 ± 0.003 Å
• c: 13.781 ± 0.002 Å
• α: 90°
• β: 102.639 ± 0.011°
• γ: 90°
• Cell volume: 2899.3 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No