Information card for entry 7229984

Structure parameters

• Common name: [CuL30iOAc]
• Formula: C28 H40 Cu2 N4 O14
• Calculated formula: C28 H40 Cu2 N4 O14
• SMILES: c1cccc2[n]1[Cu]13(OC(=C(C=[N]1C2)C(=O)OC)C)[O](C(=O)C)[Cu]12([N](Cc4cccc[n]14)=CC(=C(O2)C)C(=O)OC)[O]3C(=O)C.O.O.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: 8.7017 ± 0.0004 Å
• b: 18.0339 ± 0.0011 Å
• c: 21.7086 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3406.6 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No