Information card for entry 7021597

Structure parameters

• Formula: C29 H43 N Si Zr
• Calculated formula: C29 H43 N Si Zr
• SMILES: [Zr]12345(N(C(C)(C)C)[Si]([c]61[c]12[c]4(cc2c(c1)C(C)(C)CCC2(C)C)[c]15cccc[c]361)(C)C)(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: 11.1665 ± 0.0008 Å
• b: 11.7337 ± 0.0008 Å
• c: 11.9069 ± 0.0008 Å
• α: 89.864 ± 0.001°
• β: 65.186 ± 0.001°
• γ: 77.355 ± 0.001°
• Cell volume: 1374.64 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No