Information card for entry 4328839

Structure parameters

• Formula: C20 H36 O Si2 Zr
• Calculated formula: C20 H36 O Si2 Zr
• SMILES: [O]1([Zr]23456789([CH]%10=[CH]2[CH]3=[CH]4[CH]8=[CH]7C6%10)[CH](=[CH]5[Si](C)(C)C)C9[Si](C)(C)C)CCCC1
• Title of publication: From a Cycloheptatrienylzirconium Allyl Complex to a Cycloheptatrienylzirconium Imidazolin-2-iminato "Pogo Stick" Complex with Imido-Type Reactivity
• Authors of publication: Andreas Glöckner; Thomas Bannenberg; Constantin G. Daniliuc; Peter G. Jones; Matthias Tamm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4368 - 4378
• a: 7.6044 ± 0.0012 Å
• b: 18.137 ± 0.002 Å
• c: 8.2034 ± 0.0012 Å
• α: 90°
• β: 101.782 ± 0.008°
• γ: 90°
• Cell volume: 1107.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No