Information card for entry 1517351

Structure parameters

• Formula: C50 H62 Cl2 N8 O6 Zn2
• Calculated formula: C50 H62 Cl2 N8 O6 Zn2
• SMILES: [Zn]123([O]4[Zn]56([O]1c1c(C=[N]3CCC[N]2=Cc2c4c(n3[n]5c4ccccc4n3)cc(c2)C(C)(C)CC(C)(C)C)cc(cc1n1[n]6c2ccccc2n1)C(C)(C)CC(C)(C)C)OC(=O)C)OC(=O)C.C(Cl)Cl
• Title of publication: Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide
• Authors of publication: Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her
• Journal of publication: Polymer Chemistry
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 17
• Pages of publication: 4875
• a: 13.4923 ± 0.0002 Å
• b: 13.5958 ± 0.0002 Å
• c: 15.0327 ± 0.0002 Å
• α: 108.107 ± 0.001°
• β: 104.82 ± 0.001°
• γ: 90.868 ± 0.001°
• Cell volume: 2520.35 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1516591
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No