Information card for entry 7226001

Structure parameters

• Formula: C19 H46 N4 O Si3 Zr
• Calculated formula: C19 H46 N4 O Si3 Zr
• SMILES: [Zr]1234N([Si](C4)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C.O1CCCC1
• Title of publication: Triamidoamine-Supported Zirconium: Hydrogen Activation, Lewis Acidity, and rac-Lactide Polymerization
• Authors of publication: Leshinski, Sarah; Wheaton, Craig; Sun, Hongsui; Roering, Andrew J.; Tanski, Joseph M.; Fox, Daniel J.; Hayes, Paul G.; Waterman, Rory
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.492 ± 0.003 Å
• b: 9.8668 ± 0.0016 Å
• c: 17.009 ± 0.003 Å
• α: 90°
• β: 101.909 ± 0.002°
• γ: 90°
• Cell volume: 2708.2 ± 0.8 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No