Information card for entry 7062610

Structure parameters

• Formula: C61 H74 Cl2 Cu2 N5 O12
• Calculated formula: C61 H74 Cl2 Cu2 N5 O12
• SMILES: [Cu]12([O]=C(c3ccccc3)O[Cu]34Oc5c(cc(cc5C=[N]4c4c5[n]3cccc5ccc4)C(C)(C)C)C(C)(C)C)Oc3c(cc(cc3C=[N]2c2c3[n]1cccc3ccc2)C(C)(C)C)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N(CC)(CC)CC
• Title of publication: Synthesis of a new benzoate bridged NNO tethered copper(ii) complex: exploration of its bio, catalytic and anticancer activities
• Authors of publication: Mandal, Subrata; Naskar, Rahul; Mukherjee, Rimi; Mondal, Apurba Sau; Das, Akash; Murmu, Nabendu; Mondal, Tapan K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 15267 - 15282
• a: 6.8473 ± 0.0006 Å
• b: 59.627 ± 0.005 Å
• c: 15.0537 ± 0.0015 Å
• α: 90°
• β: 93.948 ± 0.003°
• γ: 90°
• Cell volume: 6131.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No