Information card for entry 4122360

Structure parameters

• Formula: C80 H82 B F24 Fe O4 S2 Zr
• Calculated formula: C80 H82 B F24 Fe O4 S2 Zr
• Title of publication: Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.
• Authors of publication: Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 32
• Pages of publication: 11264 - 11267
• a: 14.473 ± 0.005 Å
• b: 15.609 ± 0.006 Å
• c: 24.403 ± 0.012 Å
• α: 100.831 ± 0.006°
• β: 97.394 ± 0.006°
• γ: 108.14 ± 0.004°
• Cell volume: 5041 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No