Information card for entry 4073295

Structure parameters

• Common name: UCI-DBR-2
• Formula: C30 H50 Cl2 K La O6
• Calculated formula: C30 H50 Cl2 K La O6
• Title of publication: Facile Insertion of CO2into Tetra- and Pentamethylcyclopentadienyl Lanthanide Moieties To Form (C5Me4RCO2)-Carboxylate Ligands (R = H, Me)
• Authors of publication: Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4737
• a: 8.572 ± 0.003 Å
• b: 17.91 ± 0.006 Å
• c: 22.612 ± 0.007 Å
• α: 90°
• β: 95.777 ± 0.005°
• γ: 90°
• Cell volume: 3454 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No