Information card for entry 7056400

Structure parameters

• Common name: (complex 2)
• Formula: C21 H40 Cl2 Cu2 N2 O15
• Calculated formula: C21 H40 Cl2 Cu2 N2 O14.9
• 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: 9.1226 ± 0.0007 Å
• b: 11.7431 ± 0.0008 Å
• c: 29.958 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3209.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2923
• Weighted residual factors for all reflections included in the refinement: 0.3141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No