Information card for entry 7022148

Structure parameters

• Formula: C29 H37 Cl2 Co N2 O4
• Calculated formula: C29 H37 Cl2 Co N2 O4
• SMILES: [Co]1234([N](=C(c5c(O2)c(cc(c5)C)C)C)[C@H]2CCCC[C@@H]2[N]1=C(C)c1cc(cc(c1O3)C)C)[O]=C(O4)C.C(Cl)Cl.[Co]1234([N](=C(c5c(O2)c(cc(c5)C)C)C)[C@@H]2CCCC[C@H]2[N]1=C(C)c1cc(cc(c1O3)C)C)[O]=C(O4)C.C(Cl)Cl
• Title of publication: CO2/ethylene oxide copolymerization and ligand variation for a highly active salen-cobalt(III) complex tethering 4 quaternary ammonium salts.
• Authors of publication: Jeon, Jong Yeob; Lee, Jung Jae; Varghese, Jobi Kodiyan; Na, Sung Jae; Sujith, S.; Go, Min Jeong; Lee, Junseong; Ok, Myung-Ahn; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9245 - 9254
• a: 10.053 ± 0.0003 Å
• b: 11.5924 ± 0.0003 Å
• c: 12.9469 ± 0.0004 Å
• α: 111.821 ± 0.001°
• β: 94.24 ± 0.001°
• γ: 101.03 ± 0.001°
• Cell volume: 1357.3 ± 0.07 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: 0.031
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No