Information card for entry 1539136

Structure parameters

• Formula: C45 H56 Cl2 N8 O5 Zn
• Calculated formula: C45 H56 Cl2 N8 O5 Zn
• SMILES: [Zn]123(Oc4c(n5nc6ccccc6n5)cc(cc4C=[N]2CC[N]3=Cc2c(O1)c(n1nc3ccccc3n1)cc(c2)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)[OH2].C(Cl)Cl.O
• Title of publication: Bimetallic bis(benzotriazole iminophenolate) cobalt, nickel and zinc complexes as versatile catalysts for coupling of carbon dioxide with epoxides and copolymerization of phthalic anhydride with cyclohexene oxide
• Authors of publication: Yu, Chun-Yue; Chuang, Hui-Ju; Ko, Bao-Tsan
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1779
• a: 12.6986 ± 0.001 Å
• b: 12.8906 ± 0.0013 Å
• c: 14.9043 ± 0.0016 Å
• α: 90.191 ± 0.009°
• β: 108.659 ± 0.008°
• γ: 92.048 ± 0.007°
• Cell volume: 2309.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.2717
• Weighted residual factors for all reflections included in the refinement: 0.3093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No