Information card for entry 4109412

Structure parameters

• Common name: (CGC)Zr(NMe2)(Cl)
• Formula: C17 H33 Cl N2 Si Zr
• Calculated formula: C17 H33 Cl N2 Si Zr
• SMILES: [Zr]12345(Cl)([c]6([c]2(C)[c]4([c]3([c]16[Si](C)(N5C(C)(C)C)C)C)C)C)N(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: 8.465 ± 0.004 Å
• b: 8.78 ± 0.002 Å
• c: 15.839 ± 0.006 Å
• α: 82.11 ± 0.03°
• β: 74.85 ± 0.03°
• γ: 63.74 ± 0.04°
• Cell volume: 1018.7 ± 0.8 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: 0.0515
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No