Information card for entry 4069997

Structure parameters

• Formula: C51 H57 N O2 Si2 Zr
• Calculated formula: C51 H57 N O2 Si2 Zr
• SMILES: [Zr]12(Cc3ccccc3)(Cc3ccccc3)Oc3c([Si](C)(C)C(C)(C)C)cc4ccccc4c3c3cccc([n]13)c1c(O2)c([Si](C)(C)C(C)(C)C)cc2ccccc12
• Title of publication: Group 4 Post-metallocene Complexes Incorporating Tridentate Silyl-Substituted Bis(naphthoxy)pyridine and Bis(naphthoxy)thiophene Ligands: Probing Systems for “Oscillating” Olefin Polymerization Catalysis
• Authors of publication: Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5036
• a: 12.881 ± 0.003 Å
• b: 11.707 ± 0.003 Å
• c: 30.696 ± 0.007 Å
• α: 90°
• β: 100.641 ± 0.012°
• γ: 90°
• Cell volume: 4549.3 ± 1.9 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: 0.1614
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2365
• Weighted residual factors for all reflections included in the refinement: 0.2734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No