Information card for entry 7005707

Structure parameters

• Formula: C28 H44 Cl2 N2 O4 Si4 Zr
• Calculated formula: C28 H44 Cl2 N2 O4 Si4 Zr
• SMILES: [Zr](Cl)(Cl)(N([Si](C)(C)c2oc(cc2)C)[Si](C)(C)c1oc(cc1)C)N([Si](C)(C)c1oc(cc1)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: 20.2313 ± 0.0008 Å
• b: 10.0263 ± 0.0004 Å
• c: 19.8693 ± 0.0005 Å
• α: 90°
• β: 115.341 ± 0.002°
• γ: 90°
• Cell volume: 3642.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No