Information card for entry 7009060

Structure parameters

• Formula: C18 H23 Sm
• Calculated formula: C18 H23 Sm
• SMILES: [c]12([c]3([c]4([Sm]56789%10%11%1213([c]2([c]45C)C)[CH]1=[CH]6[CH]8=[CH]%10[CH]%12=[CH]%11[CH]9=[CH]71)C)C)C
• Title of publication: Variability of (ring centroid)‒Ln‒(ring centroid) angles in the mixed ligand C5Me5/C8H8 complexes (C5Me5)Ln(C8H8) and [(C5Me5)Yb(THF)](μ-η8∶η8-C8H8)[Yb(C5Me5)]
• Authors of publication: Evans, William J.; Johnston, Matthew A.; Clark, Robert D.; Ziller, Joseph W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1609
• a: 10.441 ± 0.0006 Å
• b: 12.8707 ± 0.0008 Å
• c: 11.7331 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1576.73 ± 0.16 ų
• Cell temperature: 158 K
• Ambient diffraction temperature: 158 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0485
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No