Information card for entry 7240389

Structure parameters

• Formula: C13 H19 Cl2 Cu N3
• Calculated formula: C13 H19 Cl2 Cu N3
• SMILES: [Cu]12(Cl)(Cl)[N]3(CCCCC3)CC[N]1=Cc1cccc[n]21
• Title of publication: Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes
• Authors of publication: Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 27
• Pages of publication: 16209 - 16220
• a: 11.3629 ± 0.0019 Å
• b: 6.8532 ± 0.0011 Å
• c: 19.328 ± 0.003 Å
• α: 90°
• β: 104.988 ± 0.004°
• γ: 90°
• Cell volume: 1453.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1051
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No