Information card for entry 7015500

Structure parameters

• Formula: C68 H106 N12 O2 Si4 Sm2
• Calculated formula: C47 H82 N12 O2 Si4 Sm2
• Title of publication: Heteroscorpionate rare-earth initiators for the controlled ring-opening polymerization of cyclic esters.
• Authors of publication: Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Sánchez-Barba, Luis F; Castro-Osma, José A; Rodríguez, Ana M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4687 - 4696
• a: 12.639 ± 0.006 Å
• b: 26.133 ± 0.013 Å
• c: 19.332 ± 0.009 Å
• α: 90°
• β: 94.835 ± 0.007°
• γ: 90°
• Cell volume: 6363 ± 5 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 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: 0.163
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No