Information card for entry 7063110

Structure parameters

• Formula: C21 H23 Cl2 Cu N3
• Calculated formula: C21 H23 Cl2 Cu N3
• SMILES: [Cu]12(Cl)(Cl)[n]3c(C[N]1(c1c(cc(cc1C)C)C)Cc1[n]2cccc1)cccc3
• 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: 11.1503 ± 0.0005 Å
• b: 12.4275 ± 0.0005 Å
• c: 15.4297 ± 0.0006 Å
• α: 88.475 ± 0.001°
• β: 74.934 ± 0.001°
• γ: 86.286 ± 0.002°
• Cell volume: 2060.16 ± 0.15 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No