Information card for entry 7229987

Structure parameters

• Common name: [CuL30c]2SO4
• Formula: C29 H40 Cu2 N4 O14 S
• Calculated formula: C29 H38 Cu2 N4 O14 S
• SMILES: c1cccc2C[N]3[Cu]([n]12)(OC(=C(C=3)C(=O)OCC)OCC)OS(=O)(=O)O[Cu]12[N](Cc3cccc[n]13)=CC(=C(O2)OCC)C(=O)OCC.CO.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: 6.7842 ± 0.0006 Å
• b: 15.8946 ± 0.0015 Å
• c: 15.9754 ± 0.0018 Å
• α: 93.458 ± 0.009°
• β: 96.606 ± 0.008°
• γ: 97.754 ± 0.008°
• Cell volume: 1690.5 ± 0.3 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: 0.1789
• Residual factor for significantly intense reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.3285
• Weighted residual factors for all reflections included in the refinement: 0.3733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No