Information card for entry 4069998

Structure parameters

• Formula: C88 H71 Hf N O2 Si2
• Calculated formula: C88 H71 Hf N O2 Si2
• SMILES: [Hf]12([n]3c(c4c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)cc1ccccc41)cccc3c1c(O2)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12)(Cc1ccccc1)Cc1ccccc1.c1ccccc1.Cc1ccccc1
• 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: 14.3381 ± 0.0006 Å
• b: 27.0836 ± 0.0012 Å
• c: 19.047 ± 0.0008 Å
• α: 90°
• β: 108.943 ± 0.002°
• γ: 90°
• Cell volume: 6995.9 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No