Information card for entry 7229975

Structure parameters

• Common name: [CuL30fNO3]
• Formula: C36 H34 Cu2 N6 O12
• Calculated formula: C36 H34 Cu2 N6 O12
• SMILES: c12C[N]3[Cu]4(OC(=C(C=3)C(=O)OCC)c3ccccc3)([n]2cccc1)[O]([Cu]12(OC(=C(C=[N]2Cc2cccc[n]12)C(=O)OCC)c1ccccc1)[O]4N(=O)=O)N(=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: 10.2653 ± 0.0004 Å
• b: 8.8823 ± 0.0004 Å
• c: 20.2634 ± 0.0009 Å
• α: 90°
• β: 97.713 ± 0.003°
• γ: 90°
• Cell volume: 1830.89 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No