Information card for entry 7703511

Structure parameters

• Formula: C24 H26 Cl2 Si Zr
• Calculated formula: C24 H26 Cl2 Si Zr
• SMILES: [Zr]123456789(Cl)(Cl)[c]%10([Si]([c]%115[c]6([c]57cccc[c]85[c]9%11C)C)(C)C)[c]1([c]2([c]13[c]4%10cccc1)C)C
• Title of publication: C₁-Symmetric Si-bridged (2-indenyl)(1-indenyl) ansa-metallocenes as efficient ethene/1-hexene copolymerization catalysts.
• Authors of publication: Uborsky, Dmitry V.; Mladentsev, Dmitry Y.; Guzeev, Bogdan A.; Borisov, Ilya S.; Vittoria, Antonio; Ehm, Christian; Cipullo, Roberta; Hendriksen, Coen; Friederichs, Nic; Busico, Vincenzo; Voskoboynikov, Alexander Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 3015 - 3025
• a: 9.3079 ± 0.0006 Å
• b: 9.6561 ± 0.0006 Å
• c: 13.8605 ± 0.0008 Å
• α: 75.823 ± 0.001°
• β: 80.958 ± 0.001°
• γ: 61.586 ± 0.001°
• Cell volume: 1061.11 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0339
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No