Information card for entry 2201816

Structure parameters

• Chemical name: Bis(cyclooctatetraenyl)thulium lithium tris(tetrahydrofuran)
• Formula: C28 H40 Li O3 Tm
• Calculated formula: C28 H40 Li O3 Tm
• SMILES: [Tm]([CH]12)([CH]=13)([CH]21)([CH]=12)([CH]21)([CH]=12)([CH]21)([CH]=13)([CH]12)([CH]=13)([CH]21)([CH]=12)([CH]21)([CH]=12)([CH]21)[CH]=13.[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Bis(cyclooctatetraenyl)thulium lithium tris(tetrahydrofuran)
• Authors of publication: Rabe, Gerd W.; Zhang-Preße, Mei; Golen, James A.; Rheingold, Arnold L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m255 - m256
• a: 8.7578 ± 0.0007 Å
• b: 13.9951 ± 0.001 Å
• c: 20.7692 ± 0.0016 Å
• α: 90°
• β: 93.604 ± 0.001°
• γ: 90°
• Cell volume: 2540.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes