Information card for entry 4077258

Structure parameters

• Formula: C22 H38 N2 Si2 Zr
• Calculated formula: C22 H38 N2 Si2 Zr
• SMILES: [Zr]123456789(N(CC)CC)(N(CC)CC)[c]%10%11[Si]([c]%129[c]5([Si]([c]1%10[cH]2[cH]3[cH]4%11)(C)C)[cH]6[cH]7[cH]8%12)(C)C
• Title of publication: Ring-Opening Polymerization Behavior ofansa- and Spirocyclicansa-Zirconocene Complexes
• Authors of publication: Peckham, Timothy J.; Nguyen, Paul; Bourke, Sara C.; Wang, Qinyan; Harrison, Daryll G.; Zoricak, Peter; Russell, Charles; Liable-Sands, Louise M.; Rheingold, Arnold L.; Lough, Alan J.; Manners, Ian
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 14
• Pages of publication: 3035
• a: 8.0131 ± 0.0008 Å
• b: 9.2651 ± 0.0008 Å
• c: 32.692 ± 0.005 Å
• α: 90°
• β: 94.95 ± 0.01°
• γ: 90°
• Cell volume: 2418.1 ± 0.5 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for all reflections: 1.269
• Goodness-of-fit parameter for significantly intense reflections: 1.388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No