Information card for entry 4068020

Structure parameters

• Formula: C37 H67 N Si Th
• Calculated formula: C37 H67 N Si Th
• SMILES: [Th]12345678(=N[Si](C)(C)C)([c]9([cH]4[c]3([cH]2[c]19C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]8[c]7([cH]6[c]51C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand
• Authors of publication: Ren, Wenshan; Zi, Guofu; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 672
• a: 10.2478 ± 0.0019 Å
• b: 19.685 ± 0.004 Å
• c: 20.358 ± 0.004 Å
• α: 90°
• β: 114.909 ± 0.008°
• γ: 90°
• Cell volume: 3724.8 ± 1.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No