Information card for entry 7229980

Structure parameters

• Common name: [CuL30fI]
• Formula: C36 H34 Cu2 I2 N4 O6
• Calculated formula: C36 H34 Cu2 I2 N4 O6
• SMILES: c1cccc2C[N]3=CC(=C(O[Cu]43([n]12)[I][Cu]12([N](Cc3cccc[n]13)=CC(=C(O2)c1ccccc1)C(=O)OCC)[I]4)c1ccccc1)C(=O)OCC
• 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: 10.3415 ± 0.0007 Å
• b: 9.206 ± 0.0004 Å
• c: 19.3186 ± 0.0014 Å
• α: 90°
• β: 98.818 ± 0.005°
• γ: 90°
• Cell volume: 1817.5 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.1413
• Residual factor for significantly intense reflections: 0.127
• Weighted residual factors for significantly intense reflections: 0.3393
• Weighted residual factors for all reflections included in the refinement: 0.3631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No