Information card for entry 7060300

Structure parameters

• Formula: C12 H18 Cu N6 O
• Calculated formula: C12 H18 Cu N6 O
• SMILES: [Cu]123(Oc4c(C=[N]3CC[NH]2CCC[NH2]1)cccc4)N=N#N
• Title of publication: Mononuclear copper(ii) Schiff base complex: synthesis, structure, electrical analysis and protein binding study
• Authors of publication: Ghosh, Mrinmoy; Sepay, Nayim; Rizzoli, Corrado; Ghosh, Chandan Kumar; Banerjee, Abhijit; Saha, Sandip
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2995 - 3006
• a: 9.971 ± 0.003 Å
• b: 6.885 ± 0.002 Å
• c: 21.068 ± 0.006 Å
• α: 90°
• β: 102.329 ± 0.005°
• γ: 90°
• Cell volume: 1413 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.118
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No