Information card for entry 7229976

Structure parameters

• Common name: [CuL30aOAc]
• Formula: C30 H36 Cu2 N4 O10
• Calculated formula: C30 H36 Cu2 N4 O10
• SMILES: c1cccc2C[N]3=CC(=C(O[Cu]43([n]12)[O](C(=O)C)[Cu]12([N](Cc3cccc[n]13)=CC(=C(O2)C)C(=O)OCC)[O]4C(=O)C)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: 7.5927 ± 0.0005 Å
• b: 23.9283 ± 0.0012 Å
• c: 8.5927 ± 0.0005 Å
• α: 90°
• β: 93.078 ± 0.005°
• γ: 90°
• Cell volume: 1558.87 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No