Information card for entry 4109410

Structure parameters

• Common name: [(CGC)Th[N(SiMe3)2]Cl]2
• Formula: C42 H90 Cl2 N4 Si6 Th2
• Calculated formula: C42 H90 Cl2 N4 Si6 Th2
• SMILES: [c]123[c]4([c]5([c]6([c]1(C)[Th]13456(N(C(C)(C)C)[Si]2(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Cl][Th]23456([c]7([c]4([c]5([c]6([c]27C)C)C)C)[Si](N3C(C)(C)C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Cl]1)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: 10.896 ± 0.003 Å
• b: 11.55 ± 0.002 Å
• c: 13.12 ± 0.002 Å
• α: 74.7 ± 0.013°
• β: 83.26 ± 0.01°
• γ: 63.205 ± 0.016°
• Cell volume: 1421.6 ± 0.6 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: 0.0206
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No