Information card for entry 4069992

Structure parameters

• Formula: C63 H46 B Cl6 N O3 Si2
• Calculated formula: C63 H46 B Cl6 N O3 Si2
• SMILES: [Si](c1ccccc1)(c1ccccc1)(c1ccccc1)c1cc2ccccc2c2c1O[B]1([n]3c2cccc3c2c(O1)c(cc1c2cccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 10.664 ± 0.0011 Å
• b: 16.4352 ± 0.0014 Å
• c: 17.6664 ± 0.0018 Å
• α: 62.451 ± 0.003°
• β: 87.494 ± 0.003°
• γ: 82.083 ± 0.003°
• Cell volume: 2718.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No