Information card for entry 7006692

Structure parameters

• Formula: C48 H64 Cl Co N2 O2
• Calculated formula: C48 H64 Cl Co N2 O2
• SMILES: [Co]123(Cl)Oc4c(C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1
• Title of publication: Copolymerization of cyclohexene oxide and carbon dioxide using (salen)Co(III) complexes: synthesis and characterization of syndiotactic poly(cyclohexene carbonate).
• Authors of publication: Cohen, Claire T.; Thomas, Christophe M.; Peretti, Kathryn L.; Lobkovsky, Emil B.; Coates, Geoffrey W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 237 - 249
• a: 14.5088 ± 0.0011 Å
• b: 10.1068 ± 0.0006 Å
• c: 29.765 ± 0.002 Å
• α: 90°
• β: 93.639 ± 0.003°
• γ: 90°
• Cell volume: 4355.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No