Information card for entry 7706829

Structure parameters

• Formula: C48 H70 Cl4 Co2 Li N2 O5
• Calculated formula: C48 H70 Cl4 Co2 Li N2 O5
• SMILES: c12c3cccc1C=[N](c1c(cccc1C(C)C)C(C)C)[Co@@]1([Cl][Li]([Cl][Co@](Cl)([N](=C3)c3c(cccc3C(C)C)C(C)C)[O]21)([O]1CCCC1)[O]1CCCC1)Cl.C1CCCO1.C1CCCO1
• Title of publication: One-pot synthesis of cobalt complexes with 2,6-bis(arylimino)phenoxyl/phenthioxyl ligands and catalysis on isoprene polymerization.
• Authors of publication: Chen, Xue-Meng; Huang, Li-Cheng; Gao, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5218 - 5225
• a: 16.092 ± 0.005 Å
• b: 17.586 ± 0.005 Å
• c: 19.569 ± 0.006 Å
• α: 90°
• β: 108.843 ± 0.004°
• γ: 90°
• Cell volume: 5241 ± 3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 184.65 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No