Information card for entry 7063893

Structure parameters

• Formula: C12 H12 Cl2 Cu N2 O
• Calculated formula: C12 H12 Cl2 Cu N2 O
• Title of publication: A mononuclear Cu(ii) complex as a functional mimic of both catechol oxidase and phenoxazinone synthase
• Authors of publication: Kumar, Bidyapati; Chatterjee, Abhishikta; Chakraborty, Priyanka; Mandal, Sourav; Dey, Subrata K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 13849 - 13857
• a: 29.4663 ± 0.0017 Å
• b: 10.4668 ± 0.0005 Å
• c: 8.6344 ± 0.0005 Å
• α: 90°
• β: 95.322 ± 0.003°
• γ: 90°
• Cell volume: 2651.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No