Information card for entry 1517353

Structure parameters

• Formula: C50 H62 Cl2 N8 Ni2 O6
• Calculated formula: C50 H62 Cl2 N8 Ni2 O6
• SMILES: [Ni]123456[Ni]789([O]1c1c(n%10[n]8c8ccccc8n%10)cc(cc1C=[N]5CCC[N]6=Cc1cc(cc(n5[n]9c6ccccc6n5)c1[O]27)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)([O]=C(O3)C)OC(=[O]4)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: 12.0189 ± 0.0003 Å
• b: 14.7702 ± 0.0004 Å
• c: 14.7768 ± 0.0004 Å
• α: 107.972 ± 0.002°
• β: 96.642 ± 0.002°
• γ: 95.331 ± 0.002°
• Cell volume: 2455.4 ± 0.12 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: 0.0846
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1516593
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No