Information card for entry 7115143

Structure parameters

• Formula: C42 H41 I L O2 Zr
• Calculated formula: C42 H41 Li O2 Zr
• Title of publication: Li[Cp2Zr(C≡CPh)(η2:1,2-PhC2C≡CPh)]: an anionic zirconium(II) intermediate for carbon–carbon coupling
• Authors of publication: Choukroun, Robert; Zhao, Jianshe; Lorber, Christian; Cassoux, Patrick; Donnadieu, Bruno
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 1511 - 1512
• a: 14.9859 ± 0.0018 Å
• b: 10.4594 ± 0.0008 Å
• c: 22.028 ± 0.002 Å
• α: 90°
• β: 102.073 ± 0.011°
• γ: 90°
• Cell volume: 3376.4 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.710733 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No