Information card for entry 7702533

Structure parameters

• Formula: C14 H22 Cl6 Si2 Zr2
• Calculated formula: C7 H11 Cl3 Si Zr
• Title of publication: Mono- and di-cyclopentadienyl zirconium derivatives containing the dimethylsilylcyclopentadienyl ligand. Agostic linear Si‒H‒Zr interaction in the molecular structure of [Zr{η5-C5H4(SiMe2H)}Cl3]2 †
• Authors of publication: Ciruelo, Gemma; Cuenca, Tomás; Gómez, Rafael; Gómez-Sal‡, Pilar; Martín ‡, Avelino
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 1657
• a: 7.01 ± 0.001 Å
• b: 17.674 ± 0.001 Å
• c: 9.648 ± 0.001 Å
• α: 90°
• β: 102.56 ± 0.01°
• γ: 90°
• Cell volume: 1166.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No