Information card for entry 7033767

Structure parameters

• Formula: C17 H27 Al Cl2 N2 Zr
• Calculated formula: C17 H27 Al Cl2 N2 Zr
• SMILES: [Zr]123([N]45[Al]([N]61[C@@H](C)CCC1[C]36=[C]42C(=CC=1)CC[C@@H]5C)(C)C)(Cl)(Cl)C
• Title of publication: Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.
• Authors of publication: Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3845 - 3855
• a: 10.1189 ± 0.0001 Å
• b: 13.5588 ± 0.0002 Å
• c: 14.7171 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.19 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No