Information card for entry 4077371

Structure parameters

• Formula: C61 H88 N2 O6 Y2
• Calculated formula: C61 H80 N2 O6 Y2
• Title of publication: Organolanthanide-Based Coordination and Insertion Reactivity of the Anion Formed by Deprotonation of ε-Caprolactam
• Authors of publication: Evans, William J.; Fujimoto, Cy H.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 22
• Pages of publication: 4529
• a: 10.8178 ± 0.0014 Å
• b: 14.9661 ± 0.0019 Å
• c: 17.994 ± 0.002 Å
• α: 90°
• β: 105.264 ± 0.002°
• γ: 90°
• Cell volume: 2810.5 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No