Information card for entry 7105480

Structure parameters

• Formula: C86 H92 Cl2 Co2 N10 O4
• Calculated formula: C86 H92 Cl2 Co2 N10 O4
• SMILES: [Co]123(Oc4c(cc(cc4C=[N]2CC[N]3=Cc2cc3ccccc3c(c2O1)c1c2ccccc2cc2C=[N]3[Co]4(Oc12)(Oc1c(C=[N]4CC3)cc(cc1C(C)(C)C)C(C)(C)C)([n]1ccccc1)[n]1ccccc1)C(C)(C)C)C(C)(C)C)([n]1ccccc1)[n]1ccccc1.[Cl-].[Cl-].n1ccccc1.n1ccccc1
• Title of publication: Isospecific polymerization of racemic epoxides: a catalyst system for the synthesis of highly isotactic polyethers.
• Authors of publication: Widger, Peter C B; Ahmed, Syud M; Hirahata, Wataru; Thomas, Renee M; Lobkovsky, Emil B; Coates, Geoffrey W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 2935 - 2937
• a: 23.7527 ± 0.001 Å
• b: 37.5983 ± 0.0015 Å
• c: 11.4249 ± 0.0004 Å
• α: 90°
• β: 95.983 ± 0.002°
• γ: 90°
• Cell volume: 10147.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No