Information card for entry 4110692

Structure parameters

• Formula: C56 H88 Li2 N2 O4 Zr
• Calculated formula: C56 H88 Li2 N2 O4 Zr
• Title of publication: C-C Bond-Forming Reductive Elimination from a Zirconium(IV) Redox-Active Ligand Complex
• Authors of publication: Mason R. Haneline; Alan F. Heyduk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8410 - 8411
• a: 10.817 ± 0.002 Å
• b: 28.533 ± 0.006 Å
• c: 17.917 ± 0.004 Å
• α: 90°
• β: 97.07 ± 0.03°
• γ: 90°
• Cell volume: 5488 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0847
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No