Information card for entry 7002579

Structure parameters

• Formula: C24 H34 Cl2 Zr
• Calculated formula: C24 H34 Cl2 Zr
• SMILES: [c]12([cH]3[Zr]4567892([cH]1[cH]8[c]34C(C)(C)C)([c]1([cH]9[cH]7[c]6([cH]51)CC=C)C(C)(C)C)(Cl)Cl)CC=C
• Title of publication: Ring-closing metathesis of sterically congested functionalized zirconocenes‒ethene polymerization catalysts derived from related bridged and open metallocenes
• Authors of publication: Tumay, Tülay Aslı; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 8923 - 8928
• a: 18.4863 ± 0.0003 Å
• b: 6.6869 ± 0.0001 Å
• c: 20.7792 ± 0.0005 Å
• α: 90°
• β: 105.909 ± 0.001°
• γ: 90°
• Cell volume: 2470.26 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.046
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No