Information card for entry 7063109

Structure parameters

• Formula: C20 H21 Cl4 Cu N3
• Calculated formula: C20 H21 Cl4 Cu N3
• SMILES: [Cu]12(Cl)(Cl)[N](c3ccc(cc3)C)(Cc3[n]1cccc3)Cc1[n]2cccc1.ClCCl
• Title of publication: Tailored design, synthesis, and catalytic aspects of mononuclear cis-dichloro copper(ii) complexes with simple DPA-derived tridentate ligands and their biomimicking activities
• Authors of publication: Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Mathur, Shobhit; Roy, Indrajit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 7739 - 7753
• a: 8.571 ± 0.002 Å
• b: 10.845 ± 0.003 Å
• c: 23.991 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2230 ± 1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No