Information card for entry 4075993

Structure parameters

• Formula: C62 H92 La2 O2 Se2
• Calculated formula: C62 H92 La2 O2 Se2
• SMILES: [c]12([c]3(C)[La]456789%101([O]1CCCC1)([c]1([c]4(C)[c]9([c]8([c]71C)C)C)C)([Se]1[La]4789%11%12%13%14([c]%15([c]4([c]7([c]8([c]9%15C)C)C)C)C)([O]4CCCC4)([c]4([c]%14([c]%13([c]%12([c]%114C)C)C)C)C)[Se]%101)[c]3([c]5([c]26C)C)C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm
• Authors of publication: Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3916
• a: 10.4164 ± 0.0006 Å
• b: 10.8623 ± 0.0006 Å
• c: 13.2748 ± 0.0008 Å
• α: 80.935 ± 0.001°
• β: 83.483 ± 0.001°
• γ: 83.948 ± 0.001°
• Cell volume: 1467.77 ± 0.15 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No