Information card for entry 7033766

Structure parameters

• Formula: C20 H28 Cl2 N2 O2 Zr
• Calculated formula: C20 H28 Cl2 N2 O2 Zr
• SMILES: C1CC[O]([Zr]2(N3CCCc4c3c3c(CCCN23)cc4)([O]2CCCC2)(Cl)Cl)C1
• 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: 15.9174 ± 0.0004 Å
• b: 10.676 ± 0.0003 Å
• c: 14.1935 ± 0.0006 Å
• α: 90°
• β: 116.042 ± 0.001°
• γ: 90°
• Cell volume: 2167.08 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No