Information card for entry 4106858

Structure parameters

• Formula: C23 H50 N6 O2 Zr
• Calculated formula: C23 H50 N6 O2 Zr
• Title of publication: Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C-N Bond Formation at Zirconium
• Authors of publication: David C. Leitch; Rachel H. Platel; Laurel L. Schafer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15453 - 15463
• a: 13.151 ± 0.005 Å
• b: 15.598 ± 0.005 Å
• c: 13.856 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.011 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2831.4 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No