Information card for entry 7229972

Structure parameters

• Common name: [CuL30fCl]
• Formula: C18 H17 Cl Cu N2 O3
• Calculated formula: C18 H17 Cl Cu N2 O3
• SMILES: c1cccc2C[N]3=CC(=C(c4ccccc4)O[Cu]3(Cl)[n]12)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: 12.9059 ± 0.0007 Å
• b: 18.9389 ± 0.0013 Å
• c: 7.6909 ± 0.0004 Å
• α: 90°
• β: 115.017 ± 0.004°
• γ: 90°
• Cell volume: 1703.48 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No