Information card for entry 4076298

Structure parameters

• Formula: C31 H46 Cl2 Si3 Zr
• Calculated formula: C30.664 H46 Cl2 Si3.336 Zr
• 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: 10.4644 ± 0.0002 Å
• b: 18.2115 ± 0.0004 Å
• c: 18.2169 ± 0.0003 Å
• α: 90°
• β: 99.277 ± 0.001°
• γ: 90°
• Cell volume: 3426.23 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No