Information card for entry 7022120

Structure parameters

• Formula: C34 H48 N4 Zr
• Calculated formula: C34 H48 N4 Zr
• Title of publication: Exceptionally high lactide polymerization activity of zirconium complexes with bridged diketiminate ligands.
• Authors of publication: El-Zoghbi, Ibrahim; Whitehorne, Todd J. J.; Schaper, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9376 - 9387
• a: 11.4759 ± 0.0009 Å
• b: 14.9142 ± 0.0012 Å
• c: 18.6288 ± 0.0014 Å
• α: 90°
• β: 91.042 ± 0.003°
• γ: 90°
• Cell volume: 3187.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No