Information card for entry 7011519

Structure parameters

• Common name: 3b
• Formula: C29 H40 F3 N3 Si3 Zr
• Calculated formula: C29 H40 F3 N3 Si3 Zr
• Title of publication: Synthesis, structures, and alkene hydrosilation activities of neutral tripodal amidozirconium alkyls
• Authors of publication: Jia, Li; Zhao, Jiquan; Ding, Errun; Brennessel, William W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2608
• a: 9.576 ± 0.001 Å
• b: 19.106 ± 0.002 Å
• c: 18.087 ± 0.002 Å
• α: 90°
• β: 97.16 ± 0.002°
• γ: 90°
• Cell volume: 3283.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No