Information card for entry 4304001

Structure parameters

• Formula: C48 H90 Li2 N4 O4 Zr
• Calculated formula: C48 H90 Li2 N4 O4 Zr
• Title of publication: Lithium-Alkyl, -Aryl, and -Amido Ligand-Exchange Dynamics of Dianionic Zirconium(IV) Complexes with Chelating Amidophenolate Ligands
• Authors of publication: Karen J. Blackmore; Joseph W. Ziller; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 265 - 273
• a: 17.682 ± 0.002 Å
• b: 17.923 ± 0.002 Å
• c: 16.4037 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5198.6 ± 1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No