Information card for entry 7056398

Structure parameters

• Common name: [Cu(L)Cl]2 (complex 5)
• Formula: C28 H44 Cl2 Cu2 N2 O6
• Calculated formula: C28 H44 Cl2 Cu2 N2 O6
• SMILES: C1C[O]([Cu]23(Cl)[N]1(CCOC)Cc1c([O]2[Cu]24([N](CC[O]4C)(CCOC)Cc4c([O]32)ccc(c4)C)Cl)ccc(c1)C)C
• 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
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 8586 - 8597
• a: 9.2173 ± 0.0006 Å
• b: 15.4782 ± 0.001 Å
• c: 11.0439 ± 0.0007 Å
• α: 90°
• β: 95.457 ± 0.002°
• γ: 90°
• Cell volume: 1568.46 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No