Information card for entry 7229966

Structure parameters

• Common name: [CuL30aCl]
• Formula: C26 H30 Cl2 Cu2 N4 O6
• Calculated formula: C26 H30 Cl2 Cu2 N4 O6
• SMILES: c1cccc2C[N]3[Cu]4([n]12)(OC(=C(C=3)C(=O)OCC)C)[Cl][Cu]12(OC(=C(C=[N]2Cc2cccc[n]12)C(=O)OCC)C)[Cl]4
• 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: 7.3859 ± 0.0005 Å
• b: 9.1298 ± 0.0007 Å
• c: 10.3252 ± 0.0007 Å
• α: 94.11 ± 0.006°
• β: 96.016 ± 0.006°
• γ: 105.895 ± 0.006°
• Cell volume: 662.26 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No