Information card for entry 7107891

Structure parameters

• Formula: C17 H33 N O Si2 Zr
• Calculated formula: C17 H33 N O Si2 Zr
• SMILES: [Zr]123456([O]7CCCC7)(N([Si](C)(C)C)[Si](C)(C)C)[CH]7=[CH]1C2[CH]3=[CH]4[CH]5=[CH]67
• Title of publication: A slipped multi-decker zirconium complex with an eta^7^:eta^2^-bridging cycloheptatrienyl ligand
• Authors of publication: Andreas Glockner; Constantin G. Daniliuc; Matthias Freytag; Peter G. Jones; Matthias Tamm
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6598
• a: 10.2102 ± 0.0002 Å
• b: 10.7387 ± 0.0002 Å
• c: 19.2391 ± 0.0004 Å
• α: 90°
• β: 99.648 ± 0.002°
• γ: 90°
• Cell volume: 2079.62 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0205
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No