Information card for entry 4076299

Structure parameters

• Formula: C28 H38 Cl2 Si2 Zr
• Calculated formula: C28 H38 Cl2 Si2 Zr
• SMILES: [Zr]12345678(Cl)(Cl)([cH]9[c]%101cccc[c]2%10[c]3([cH]49)C(C)(C)C)[c]1([Si](C)(C)C)[c]25cccc[c]62[c]7([Si](C)(C)C)[cH]81
• Title of publication: Synthesis and Characterization of Zirconium and Iron Complexes Containing Substituted Indenyl Ligands: Evaluation of Steric and Electronic Parameters
• Authors of publication: Bradley, Christopher A.; Flores-Torres, Samuel; Lobkovsky, Emil; Abruña, Hector D.; Chirik, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5332
• a: 9.4665 ± 0.0011 Å
• b: 16.131 ± 0.002 Å
• c: 19.225 ± 0.003 Å
• α: 90°
• β: 95.829 ± 0.004°
• γ: 90°
• Cell volume: 2920.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No