Information card for entry 7229962

Structure parameters

• Common name: HL30a
• Formula: C13 H16 N2 O3
• Calculated formula: C13 H16 N2 O3
• SMILES: c1cccc(CN/C=C(C(=O)C)/C(=O)OCC)n1
• 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: 7.339 ± 0.005 Å
• b: 14.815 ± 0.005 Å
• c: 11.777 ± 0.005 Å
• α: 90°
• β: 97.495 ± 0.005°
• γ: 90°
• Cell volume: 1269.5 ± 1.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No