Information card for entry 4342410

Structure parameters

• Formula: C52 H62 N3 O5 P2 Sc
• Calculated formula: C52 H62 N3 O5 P2 Sc
• Title of publication: Scandium and Yttrium Phosphasalen Complexes as Initiators for Ring-Opening Polymerization of Cyclic Esters.
• Authors of publication: Bakewell, Clare; White, Andrew J. P.; Long, Nicholas J.; Williams, Charlotte K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2204
• a: 20.163 ± 0.0005 Å
• b: 11.4232 ± 0.0004 Å
• c: 42.0819 ± 0.0012 Å
• α: 90°
• β: 91.109 ± 0.002°
• γ: 90°
• Cell volume: 9690.7 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No