Information card for entry 4077451

Structure parameters

• Formula: C61 H91 N5 Nd2 O12
• Calculated formula: C62.18 H86 N4 Nd2 O12
• Title of publication: Lanthanide Carboxylate Precursors for Diene Polymerization Catalysis: Syntheses, Structures, and Reactivity with Et2AlCl
• Authors of publication: Evans, William J.; Giarikos, Dimitrios G.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5751
• a: 11.4336 ± 0.0008 Å
• b: 16.182 ± 0.0012 Å
• c: 18.0028 ± 0.0013 Å
• α: 90°
• β: 101.597 ± 0.001°
• γ: 90°
• Cell volume: 3262.9 ± 0.4 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No