Information card for entry 4087633

Structure parameters

• Formula: C80 H104 Cl2 Fe2 O4 S4 Y2
• Calculated formula: C80 H104 Cl2 Fe2 O4 S4 Y2
• 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: 18.289 ± 0.005 Å
• b: 15.117 ± 0.004 Å
• c: 33.538 ± 0.01 Å
• α: 90°
• β: 101.814 ± 0.003°
• γ: 90°
• Cell volume: 9076 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No