Information card for entry 4342409

Structure parameters

• Formula: C62 H82 N3 O4 P2 Sc
• Calculated formula: C62 H82 N3 O4 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: 11.0189 ± 0.0003 Å
• b: 11.37 ± 0.0004 Å
• c: 24.4255 ± 0.0004 Å
• α: 84.4027 ± 0.0019°
• β: 86.0777 ± 0.0018°
• γ: 76.756 ± 0.003°
• Cell volume: 2961.2 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No