Information card for entry 7015499

Structure parameters

• Formula: C62 H90 N12 Nd2 O2 Si4
• Calculated formula: C62 H90 N12 Nd2 O2 Si4
• 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: 11.7654 ± 0.0009 Å
• b: 25.9552 ± 0.0018 Å
• c: 13.4362 ± 0.0009 Å
• α: 90°
• β: 110.883 ± 0.001°
• γ: 90°
• Cell volume: 3833.5 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No