Information card for entry 7229967

Structure parameters

• Common name: [CuL30iCl]
• Formula: C24 H26 Cl2 Cu2 N4 O6
• Calculated formula: C24 H26 Cl2 Cu2 N4 O6
• SMILES: c1cccc2[n]1[Cu]13(OC(=C(C=[N]1C2)C(=O)OC)C)[Cl][Cu]12([N](Cc4cccc[n]14)=CC(=C(O2)C)C(=O)OC)[Cl]3
• 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: 7.5941 ± 0.0005 Å
• b: 9.0685 ± 0.0006 Å
• c: 10.0399 ± 0.0006 Å
• α: 90.393 ± 0.005°
• β: 96.377 ± 0.005°
• γ: 110.15 ± 0.005°
• Cell volume: 644.33 ± 0.07 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: 0.0606
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No