Information card for entry 7229970

Structure parameters

• Common name: [CuL30bNO3]
• Formula: C12 H17 Cu N3 O7
• Calculated formula: C12 H17 Cu N3 O7
• SMILES: c1cccc2C[N]3=CC(=C(C)O[Cu]3([n]12)(ON(=O)=O)[OH2])C(=O)C.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: 8.7846 ± 0.0004 Å
• b: 18.8515 ± 0.0006 Å
• c: 9.028 ± 0.0004 Å
• α: 90°
• β: 99.363 ± 0.003°
• γ: 90°
• Cell volume: 1475.14 ± 0.11 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: 0.0311
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No