Information card for entry 4087636

Structure parameters

• Formula: C48 H70 Fe K O4 S2 Y
• Calculated formula: C48 H70 Fe K O4 S2 Y
• Title of publication: Highly Active Yttrium Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and δ-Valerolactone
• Authors of publication: Wang, Xinke; Brosmer, Jonathan L.; Thevenon, Arnaud; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 4700
• a: 16.145 ± 0.005 Å
• b: 16.399 ± 0.005 Å
• c: 18.23 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4827 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No