Information card for entry 7229981

Structure parameters

• Common name: [CuL30aNO3]
• Formula: C26 H30 Cu2 N6 O12
• Calculated formula: C26 H30 Cu2 N6 O12
• SMILES: c1cccc2[n]1[Cu]13(ON(=[O][Cu]45([n]6ccccc6C[N]4=CC(=C(O5)C)C(=O)OCC)[O]3N(=O)=O)=O)[N](C2)=CC(=C(O1)C)C(=O)OCC
• 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: 12.7796 ± 0.0005 Å
• b: 13.8977 ± 0.0008 Å
• c: 16.9969 ± 0.0006 Å
• α: 90°
• β: 105.798 ± 0.003°
• γ: 90°
• Cell volume: 2904.7 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No