Information card for entry 7005702

Structure parameters

• Formula: C12 H18 Cl3 N O2 Si2 Ti
• Calculated formula: C12 H18 Cl3 N O2 Si2 Ti
• SMILES: [Ti](Cl)(Cl)(Cl)N([Si](c1occc1)(C)C)[Si](C)(C)c1occc1
• Title of publication: Deactivation pathways of ethylene polymerization catalysts derived from titanium and zirconium 1,3-bis(furyl)-1,1,3,3-tetramethyldisilazide complexes.
• Authors of publication: Evans, Lloyd T. J.; Coles, Martyn P.; Geoffrey, F.; Cloke, N.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2707 - 2717
• a: 6.8208 ± 0.0002 Å
• b: 9.3822 ± 0.0003 Å
• c: 15.0516 ± 0.0006 Å
• α: 97.848 ± 0.002°
• β: 90.932 ± 0.002°
• γ: 96.928 ± 0.002°
• Cell volume: 946.7 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0931
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No