Information card for entry 1506429

Structure parameters

• Formula: C39 H66 N6 Si2 Zr2
• Calculated formula: C39 H66 N6 Si2 Zr2
• SMILES: [Zr]12345(N(C(C)(C)C)[Si]([c]26[cH]3[c]4([c]25[c]61cccc2)C[c]12[cH]3[Zr]4561(N(C(C)(C)C)[Si]([c]35[c]14cccc[c]261)(C)C)(N(C)C)N(C)C)(C)C)(N(C)C)N(C)C
• Title of publication: Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization
• Authors of publication: Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J.
• Journal of publication: Macromolecules
• Year of publication: 2005
• Journal volume: 38
• Journal issue: 22
• Pages of publication: 9015
• a: 8.9759 ± 0.0011 Å
• b: 15.427 ± 0.003 Å
• c: 17.37 ± 0.003 Å
• α: 67.867 ± 0.01°
• β: 77.698 ± 0.01°
• γ: 85.178 ± 0.012°
• Cell volume: 2176.8 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No