Information card for entry 7712696

Structure parameters

• Formula: C24 H27 Cu N5 O
• Calculated formula: C24 H27 Cu N5 O
• SMILES: [Cu]12(Oc3c(cc(cc3C=[N]1c1c3[n]2cccc3ccc1)C(C)(C)C)C(C)(C)C)N=N#N
• Title of publication: Facile synthesis of novel NNO tethered copper(II) complexes: Characterization details, theoretical studies, promising enzyme-like activities and bio-molecular interactions
• Authors of publication: Mondal, Tapan Kumar; Mandal, Subrata; Naskar, Rahul; Mondal, Apurba Sau; Bera, Biswajit
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 37.011 ± 0.003 Å
• b: 6.8204 ± 0.0006 Å
• c: 18.5941 ± 0.0016 Å
• α: 90°
• β: 96.449 ± 0.003°
• γ: 90°
• Cell volume: 4664 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.116
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.2
• 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: No
• Has Fobs: No