Information card for entry 7714511

Structure parameters

• Formula: C34.5 H46 Cl N3 O Zn
• Calculated formula: C34.5 H46 Cl N3 O Zn
• Title of publication: NacNac-zinc-pyridonate mediated ε-caprolactone ROP.
• Authors of publication: Hughes, Jack W. J.; Babula, Dawid J.; Stowers-Veitch, Findlay; Yuan, Kang; Uzelac, Marina; Nichol, Gary S.; Ingleson, Michael J.; Garden, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 13.2654 ± 0.0006 Å
• b: 16.8069 ± 0.0003 Å
• c: 21.0819 ± 0.0011 Å
• α: 90°
• β: 135.126 ± 0.009°
• γ: 90°
• Cell volume: 3316.2 ± 0.6 ų
• Cell temperature: 120.01 ± 0.11 K
• Ambient diffraction temperature: 120.01 ± 0.11 K
• Number of distinct elements: 6
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No