Information card for entry 7005703

Structure parameters

• Formula: C14 H22 Cl3 N O2 Si2 Ti
• Calculated formula: C14 H22 Cl3 N O2 Si2 Ti
• SMILES: [Ti](Cl)(Cl)(Cl)N([Si](c1oc(C)cc1)(C)C)[Si](C)(C)c1oc(cc1)C
• 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: 27.1916 ± 0.0004 Å
• b: 11.2759 ± 0.0002 Å
• c: 29.9679 ± 0.0004 Å
• α: 90°
• β: 110.992 ± 0.001°
• γ: 90°
• Cell volume: 8578.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No