Information card for entry 7229979

Structure parameters

• Common name: [CuL30cOAc]
• Formula: C32 H44 Cu2 N4 O14
• Calculated formula: C32 H44 Cu2 N4 O14
• SMILES: c1cccc2[n]1[Cu]13([N](=CC(=C(O1)OCC)C(=O)OCC)C2)[O](C(=O)C)[Cu]12(OC(=C(C=[N]2Cc2cccc[n]12)C(=O)OCC)OCC)[O]3C(=O)C.O.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: 8.866 ± 0.0006 Å
• b: 8.8511 ± 0.0006 Å
• c: 12.762 ± 0.0008 Å
• α: 94.241 ± 0.005°
• β: 104.942 ± 0.005°
• γ: 108.277 ± 0.005°
• Cell volume: 905.63 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No