Information card for entry 7019149

Structure parameters

• Formula: C66 H111 Li3 N6 O3
• Calculated formula: C66 H111 Li3 N6 O3
• 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: 9.905 ± 0.002 Å
• b: 18.234 ± 0.005 Å
• c: 20.026 ± 0.006 Å
• α: 107.574 ± 0.003°
• β: 103.944 ± 0.005°
• γ: 90.86 ± 0.004°
• Cell volume: 3331.3 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2768
• Weighted residual factors for all reflections included in the refinement: 0.294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No