Information card for entry 7011516

Structure parameters

• Common name: 1b
• Formula: C32 H38 F3 N3 Si3 Zr
• Calculated formula: C32 H38 F3 N3 Si3 Zr
• SMILES: [Zr]12(N(c3ccc(F)cc3)[Si](C([Si](C)(C)N1c1ccc(F)cc1)[Si](C)(C)N2c1ccc(F)cc1)(C)C)Cc1ccccc1
• 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: 11.6166 ± 0.0006 Å
• b: 14.3844 ± 0.0008 Å
• c: 20.31 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3393.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No