Information card for entry 7019148

Structure parameters

• Formula: C51.5 H83 Li3 N6 O3.5
• Calculated formula: C51.51 H81 Li3 N6 O3.51
• Title of publication: Ring-opening polymerization of ε-caprolactone by lithium piperazinyl-aminephenolate complexes: synthesis, characterization and kinetic studies.
• Authors of publication: Ikpo, Nduka; Hoffmann, Christian; Dawe, Louise N.; Kerton, Francesca M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6651 - 6660
• a: 19.315 ± 0.002 Å
• b: 19.315 ± 0.002 Å
• c: 24.872 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8035.8 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No