Information card for entry 7229974

Structure parameters

• Common name: [CuL30aN3]
• Formula: C13 H15 Cu N5 O3
• Calculated formula: C13 H15 Cu N5 O3
• SMILES: c1cccc2C[N]3=CC(=C(O[Cu]3([n]12)N=N#N)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: 20.5772 ± 0.0011 Å
• b: 19.5249 ± 0.0015 Å
• c: 7.1596 ± 0.0004 Å
• α: 90°
• β: 94.083 ± 0.004°
• γ: 90°
• Cell volume: 2869.2 ± 0.3 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: 0.0407
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No