Information card for entry 7229983

Structure parameters

• Common name: [CuL30aI]
• Formula: C13 H15 Cu I N2 O3
• Calculated formula: C13 H15 Cu I N2 O3
• SMILES: c1cccc2C[N]3[Cu]([n]12)(OC(=C(C=3)C(=O)OCC)C)I
• 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: 7.8179 ± 0.0003 Å
• b: 14.6683 ± 0.0006 Å
• c: 13.0905 ± 0.0004 Å
• α: 90°
• β: 92.391 ± 0.003°
• γ: 90°
• Cell volume: 1499.85 ± 0.1 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: 0.0273
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No