Information card for entry 1515747

Structure parameters

• Formula: C21 H24 N5 Ni O14 Sm
• Calculated formula: C21 H24 N5 Ni O14 Sm
• SMILES: [Sm]123456([O]7[Ni]89[O]1c1c(C=[N]8CC[N]9=Cc8c7c([O]2C)ccc8)cccc1[O]3C)(ON(=[O]4)=O)([O]=N(=O)O5)[O]=N(=O)O6.O=C(C)C
• Title of publication: Bulk ring-opening polymerization (ROP) of L-lactide catalyzed by Ni(ii) and Ni(ii)-Sm(iii) complexes based on a salen-type schiff-base ligand
• Authors of publication: Xiao, Guoqi; Yan, Bing; Ma, Rui; Jin, Wen Juan; Lü, Xing Qiang; Ding, Li Qin; Zeng, Chu; Chen, Lei Lei; Bao, Feng
• Journal of publication: Polymer Chemistry
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 659
• a: 11.276 ± 0.002 Å
• b: 26.738 ± 0.005 Å
• c: 9.1772 ± 0.0018 Å
• α: 90°
• β: 94.07 ± 0.03°
• γ: 90°
• Cell volume: 2759.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No