Information card for entry 8102825

Structure parameters

• Chemical name: bis(2,6-dimethylphenyl)((Z)-1-pyridin-2-yl)prop-1- en-2-yl)amido(2,6-dimethylphenylimido)zirconium - tetrahydrofuran (1:2), C~44~H~43~N^5^ ^.^ 2 C~4~H~8~O
• Formula: C48 H59 N5 O2 Zr
• Calculated formula: C48 H43 N5 O2 Zr
• Title of publication: Crystal structure of bis(2,6-dimethylphenyl)-((Z)-1-pyridin-2-yl)prop-1-en-2-yl)amido(2,6-dimethyl- phenylimido)zirconium(IV) — tetrahydrofuran (1:2), Zr(C40H43N5) · 2C4H8O
• Authors of publication: Markus Graser; Holger Kopacka; Klaus Wurst; Benno Bildstein
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 673
• a: 11.9303 ± 0.0003 Å
• b: 12.7072 ± 0.0003 Å
• c: 16.2035 ± 0.0003 Å
• α: 68.694 ± 0.002°
• β: 83.355 ± 0.002°
• γ: 75.061 ± 0.002°
• Cell volume: 2210.56 ± 0.09 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No