Information card for entry 1516593

Structure parameters

• Formula: C50 H62 Cl2 N8 Ni2 O6
• Calculated formula: C50 H62 Cl2 N8 Ni2 O6
• SMILES: CC1=[O][Ni]23456[Ni]789(O1)([O]5c1c(C=[N]3CCC[N]4=Cc3c([O]67)c(n4[n]9c5ccccc5n4)cc(c3)C(CC(C)(C)C)(C)C)cc(cc1n1[n]8c3ccccc3n1)C(CC(C)(C)C)(C)C)[O]=C(O2)C.ClCCl
• 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
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No