Information card for entry 7703512

Structure parameters

• Formula: C32 H26 Cl2 Si Zr
• Calculated formula: C32 H26 Cl2 Si Zr
• SMILES: [Zr]123456789(Cl)(Cl)[c]%10([Si]([c]%115[c]6([c]57cccc[c]85[cH]9%11)c5ccccc5)(C)C)[cH]1[c]2([c]13cccc[c]4%101)c1ccccc1
• 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: 10.1061 ± 0.0004 Å
• b: 10.6032 ± 0.0004 Å
• c: 24.5397 ± 0.001 Å
• α: 90°
• β: 96.988 ± 0.001°
• γ: 90°
• Cell volume: 2610.07 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No