Information card for entry 4068022

Structure parameters

• Formula: C34 H58
• Calculated formula: C34 H58
• SMILES: C1(=C([C@@H]2C3(C1C1(C3C(=C([C@@H]21)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.C1(=C([C@H]2C3(C1C1(C3C(=C([C@H]21)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, 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: 21.603 ± 0.003 Å
• b: 9.0336 ± 0.0014 Å
• c: 15.862 ± 0.002 Å
• α: 90°
• β: 105.185 ± 0.003°
• γ: 90°
• Cell volume: 2987.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No