Information card for entry 7008880

Structure parameters

• Formula: C62.5 H99 Cl7 O12 Si10 Zr
• Calculated formula: C62.5 H98 Cl7 O12 Si10 Zr
• Title of publication: Silsesquioxane-bonded zirconocene complexes; soluble models for silica-tethered olefin polymerization catalysts
• Authors of publication: Severn, John R.; Duchateau, Robbert; van Santen, Rutger A.; Ellis, Dianne D.; Spek, Anthony L.; Yap, Glenn P. A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2293
• a: 11.3551 ± 0.0004 Å
• b: 18.1661 ± 0.0007 Å
• c: 19.8473 ± 0.0008 Å
• α: 86.0297 ± 0.0017°
• β: 83.156 ± 0.002°
• γ: 77.2346 ± 0.0018°
• Cell volume: 3960.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No