Information card for entry 1564505

Structure parameters

• Formula: C34 H26 Cl2 Cu2 N4 O2
• Calculated formula: C34 H26 Cl2 Cu2 N4 O2
• SMILES: c12ccc3ccccc3c2C=[N]2[Cu]3(O1)([n]1c(C2)cccc1)[Cl][Cu]12(Oc4ccc5ccccc5c4C=[N]1Cc1cccc[n]21)[Cl]3
• Title of publication: Synthesis and characterization of dimeric Schiff base CoII, NiII, CuII complexes for their catalytic application of aerobic oxidation of alcohol and interaction with biomolecules
• Authors of publication: Thamilarasan, V.; Revathi, P.; Praveena, A.; Kim, Jinheung; Chandramohan, Vivek; Sengottuvelan, N.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119626
• a: 8.2043 ± 0.0003 Å
• b: 25.7781 ± 0.0008 Å
• c: 7.8686 ± 0.0002 Å
• α: 90°
• β: 118.463 ± 0.0017°
• γ: 90°
• Cell volume: 1462.98 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No