Information card for entry 4127837

Structure parameters

• Formula: C40 H70 Tb
• Calculated formula: C40 H70 Tb
• SMILES: [c]12([c]3([c]4([c]5([c]1(C(C)C)[Tb]16782345[c]2([c]1([c]6([c]7([c]82C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
• Title of publication: Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II).
• Authors of publication: Gould, Colin A.; McClain, K. Randall; Yu, Jason M.; Groshens, Thomas J.; Furche, Filipp; Harvey, Benjamin G.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 12967 - 12973
• a: 10.9617 ± 0.0003 Å
• b: 13.0994 ± 0.0004 Å
• c: 12.8416 ± 0.0004 Å
• α: 90°
• β: 91.757 ± 0.001°
• γ: 90°
• Cell volume: 1843.08 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No