Information card for entry 7062510

Structure parameters

• Chemical name: Complex 1
• Formula: C24 H32 Cu N2 O8
• Calculated formula: C24 H32 Cu N2 O8
• Title of publication: Investigations on a mononuclear Cu(ii) Schiff base complex: theoretical calculations, catechol oxidase activity, and protein binding interaction analysis
• Authors of publication: Roy, Bilash Chandra; Dutta, Biswarup; Basak, Dipmalya; Debnath, Surajit; Ray, Debashis; Mahapatra, Tufan Singha
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 25
• Pages of publication: 11928 - 11944
• a: 10.19 ± 0.007 Å
• b: 5.157 ± 0.004 Å
• c: 23.422 ± 0.016 Å
• α: 90°
• β: 102.01 ± 0.02°
• γ: 90°
• Cell volume: 1203.9 ± 1.5 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 5
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No