Information card for entry 4070482

Structure parameters

• Formula: C19 H28 O Si Zr
• Calculated formula: C19 H28 O Si Zr
• SMILES: [Zr]123456789%10([O]%11CCCC%11)([CH]%11=[CH]1[CH]2=[CH]3[CH]4=[CH]5C6%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: 7.6814 ± 0.0002 Å
• b: 8.2437 ± 0.0001 Å
• c: 15.3305 ± 0.0003 Å
• α: 94.3128 ± 0.0013°
• β: 104.457 ± 0.0009°
• γ: 100.057 ± 0.0012°
• Cell volume: 918.38 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No