Information card for entry 4088768

Structure parameters

• Formula: C17 H29 Cl5 Si Ta2
• Calculated formula: C17 H29 Cl5 Si Ta2
• SMILES: [Ta]1234([Cl][Ta]5678(Cl)(Cl)[C]2(=[C]36([C]47(=[C]18C(C)C=C5[Si](C)(C)C)CC)CC)CC)(Cl)Cl
• Title of publication: Synthesis and Reactions of Ditantalum—Allyl Complexes Derived from Intramolecular C‒H Bond Activation of the Methylene of the Ethyl Group Bound to Ditantallacyclopentadiene
• Authors of publication: Yamamoto, Keishi; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2384
• a: 8.912 ± 0.003 Å
• b: 10.386 ± 0.003 Å
• c: 13.515 ± 0.003 Å
• α: 94.684 ± 0.005°
• β: 97.881 ± 0.009°
• γ: 99.817 ± 0.007°
• Cell volume: 1213.9 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0165
• Residual factor for significantly intense reflections: 0.0134
• Weighted residual factors for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.0316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No