Information card for entry 7017062

Structure parameters

• Formula: C38 H36 Cl2 Co2 N2 O8
• Calculated formula: C38 H36 Cl2 Co2 N2 O8
• SMILES: c1c2C=[N](c3c(C)cc(C)cc3C)[Co]3456[O]7c2c(C=[O][Co]27([N](=Cc7cc(cc(C=[O]5)c7[O]42)Cl)c2c(C)cc(C)cc2C)([O]=C(O3)C)OC(=[O]6)C)cc1Cl
• Title of publication: Highly active and stereospecific polymerization of 1,3-butadiene catalyzed by dinuclear cobalt(ii) complexes bearing 3-aryliminomethyl-2-hydroxybenzaldehydes.
• Authors of publication: Jie, Suyun; Ai, Pengfei; Li, Bo-Geng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 10975 - 10982
• a: 23.979 ± 0.003 Å
• b: 23.979 ± 0.003 Å
• c: 13.13 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7549.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No