Information card for entry 7240391

Structure parameters

• Formula: C11 H17 Cl2 Cu N3
• Calculated formula: C11 H17 Cl2 Cu N3
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3C=[N]1CCC[N]2(C)C
• 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: 7.255 ± 0.0015 Å
• b: 8.96 ± 0.0018 Å
• c: 11.553 ± 0.002 Å
• α: 96.81 ± 0.03°
• β: 102.83 ± 0.03°
• γ: 113.02 ± 0.03°
• Cell volume: 656 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0676
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No