Information card for entry 7056399

Structure parameters

• Common name: (Cu4-Complex 1)
• Formula: C101 H176 Cu8 N8 O39
• Calculated formula: C101 H176 Cu8 N8 O39
• 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: 12.548 ± 0.0016 Å
• b: 12.7661 ± 0.0016 Å
• c: 22.424 ± 0.003 Å
• α: 92.579 ± 0.006°
• β: 93.385 ± 0.006°
• γ: 117.938 ± 0.005°
• Cell volume: 3157.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1814
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.2889
• Weighted residual factors for all reflections included in the refinement: 0.3432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No