Information card for entry 4340273

Structure parameters

• Formula: C30 H43 O2 Sm
• Calculated formula: C30 H43 O2 Sm
• SMILES: [Sm]12345678(Oc9ccccc9)([O]9CCCC9)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Synthesis of (O2CEPh)1- ligands (E = S, Se) by CO2 insertion into lanthanide chalcogen bonds and their utility in forming crystallographically characterizable organoaluminum complexes [Me2Al(mu-O2CEPh)]2.
• Authors of publication: Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 424 - 429
• a: 9.6264 ± 0.001 Å
• b: 17.088 ± 0.0018 Å
• c: 17.0045 ± 0.0018 Å
• α: 90°
• β: 102.183 ± 0.002°
• γ: 90°
• Cell volume: 2734.2 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No