Information card for entry 4073296

Structure parameters

• Common name: DBR-La-CO2
• Formula: C56 H78 La2 O4
• Calculated formula: C56 H76 La2 O4
• 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: 17.136 ± 0.003 Å
• b: 25.01 ± 0.004 Å
• c: 13.844 ± 0.002 Å
• α: 90°
• β: 100.998 ± 0.003°
• γ: 90°
• Cell volume: 5824.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No