Information card for entry 4109411

Structure parameters

• Common name: (CGC)U[N(SiMe3)2]Cl
• Formula: C21 H45 Cl N2 Si3 U
• Calculated formula: C21 H45 Cl N2 Si3 U
• SMILES: [U]12345(Cl)([c]6([Si](C)(C)N5C(C)(C)C)[c]1([c]4(C)[c]3([c]26C)C)C)N([Si](C)(C)C)[Si](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: 8.9653 ± 0.0008 Å
• b: 11.9961 ± 0.0015 Å
• c: 13.5399 ± 0.001 Å
• α: 99.175 ± 0.007°
• β: 90.657 ± 0.009°
• γ: 95.203 ± 0.008°
• Cell volume: 1431.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No