Information card for entry 4070478

Structure parameters

• Formula: C15 H20 Si Zr
• Calculated formula: C15 H20 Si Zr
• SMILES: [Zr]123456789%10([CH]%11=[CH]6[CH]5=[CH]4[CH]3=[CH]2C1%11)[cH]1[cH]7[cH]8[cH]9[c]%101[Si](C)(C)C
• Title of publication: A New Versatile Approach to Substituted Cyclopentadienyl−Cycloheptatrienyl Complexes of Zirconium (Trozircenes)
• Authors of publication: Glöckner, Andreas; Tamm, Matthias; Arif, Atta M.; Ernst, Richard D.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 7041
• a: 11.5132 ± 0.0003 Å
• b: 11.1425 ± 0.0003 Å
• c: 12.5058 ± 0.0003 Å
• α: 90°
• β: 114.727 ± 0.0013°
• γ: 90°
• Cell volume: 1457.22 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No