Information card for entry 4077260

Structure parameters

• Formula: C13 H14 Cl2 Si Zr
• Calculated formula: C13 H14 Cl2 Si Zr
• SMILES: [Zr]123456789(Cl)(Cl)[cH]%10[cH]1[cH]2[c]3([Si]1([c]38[cH]7[cH]6[cH]5[cH]93)CCC1)[cH]4%10
• 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: 7.3911 ± 0.0015 Å
• b: 8.701 ± 0.0017 Å
• c: 10.8 ± 0.002 Å
• α: 86.89 ± 0.03°
• β: 82.13 ± 0.03°
• γ: 88.32 ± 0.03°
• Cell volume: 686.8 ± 0.2 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No