Information card for entry 4109413

Structure parameters

• Common name: (CGC)Th(NMe2)OAr
• Formula: C31 H54 N2 O Si Th
• Calculated formula: C31 H54 N2 O Si Th
• SMILES: [c]123[c]4([c]5([c]6([c]1(C)[Th]3456(N(C(C)(C)C)[Si]2(C)C)(N(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C)C)C)C
• Title of publication: Mechanistic Investigation of Intramolecular Aminoalkene and Aminoalkyne Hydroamination/Cyclization Catalyzed by Highly Electrophilic, Tetravalent Constrained Geometry 4d and 5f Complexes. Evidence for an M-N σ-Bonded Insertive Pathway
• Authors of publication: Bryan D. Stubbert; Tobin J. Marks
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6149 - 6167
• a: 9.929 ± 0.006 Å
• b: 10.039 ± 0.007 Å
• c: 32.12 ± 0.02 Å
• α: 90°
• β: 96.41 ± 0.04°
• γ: 90°
• Cell volume: 3182 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0954
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No