Information card for entry 4084741

Structure parameters

• Formula: C58 H66 Cl12 Co2 N6
• Calculated formula: C58 H66 Cl12 Co2 N6
• SMILES: c12c(cc(cc1C)C)CCc1c([N]3=C(c4[n]5c(C(=[N](c6c(cc(cc6C)C)CCc6c([N]7=C(c8[n]9c(C(=[N]2[Co]79(Cl)Cl)C)ccc8)C)c(cc(c6)C)C)[Co]35(Cl)Cl)C)ccc4)C)c(cc(c1)C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Ethylene Polymerization at High Temperatures Catalyzed by Double-Decker-Type Dinuclear Iron and Cobalt Complexes: Dimer Effect on Stability of the Catalyst and Polydispersity of the Product
• Authors of publication: Takeuchi, Daisuke; Takano, Shigenaga; Takeuchi, Yuji; Osakada, Kohtaro
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5316
• a: 25.183 ± 0.005 Å
• b: 13.554 ± 0.003 Å
• c: 19.833 ± 0.004 Å
• α: 90°
• β: 95.394 ± 0.009°
• γ: 90°
• Cell volume: 6740 ± 2 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.3974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No