Information card for entry 7056397

Structure parameters

• Common name: [Cu(L)Br]2 (complex 4)
• Formula: C28 H44 Br2 Cu2 N2 O6
• Calculated formula: C28 H44 Br2 Cu2 N2 O6
• SMILES: Br[Cu]123[N](Cc4c(ccc(c4)C)[O]2[Cu]24([N](Cc5c(ccc(c5)C)[O]12)(CCOC)CC[O]4C)Br)(CCOC)CC[O]3C
• Title of publication: Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism
• Authors of publication: Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 15.8284 ± 0.0004 Å
• b: 12.343 ± 0.0003 Å
• c: 16.6575 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3254.37 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No