Information card for entry 7229978

Structure parameters

• Common name: [CuL30dOAc]
• Formula: C14 H29 Cu N3 O11
• Calculated formula: C14 H15 Cu N3 O11
• SMILES: c1cccc2C[N]3=CC(=C(O[Cu]3([n]12)OC(=O)C)OCC)C#N.O.O.O.O.O.O.O
• 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: 6.8193 ± 0.0004 Å
• b: 11.6812 ± 0.0006 Å
• c: 28.7206 ± 0.0016 Å
• α: 90°
• β: 95.047 ± 0.004°
• γ: 90°
• Cell volume: 2278.9 ± 0.2 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: 0.0824
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No