Information card for entry 7021595

Structure parameters

• Formula: C29 H41 Cl2 N Si Zr
• Calculated formula: C29 H41 Cl2 N Si Zr
• SMILES: [Zr]12345(Cl)(Cl)N(C(C)(C)C)[Si]([c]62[c]23cc3c(C(CCC3(C)C)(C)C)c[c]42[c]25ccc(c[c]612)CC)(C)C
• Title of publication: Sterically expanded CGC catalysts: substituent effects on ethylene and α-olefin polymerization.
• Authors of publication: Chai, Jianfang; Abboud, Khalil A.; Miller, Stephen A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9139 - 9147
• a: 14.702 ± 0.002 Å
• b: 11.0049 ± 0.0018 Å
• c: 18.445 ± 0.003 Å
• α: 90°
• β: 97.953 ± 0.002°
• γ: 90°
• Cell volume: 2955.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No