Information card for entry 4065634

Structure parameters

• Formula: C24 H36 Cl3 O Si Ta
• Calculated formula: C24 H36 Cl3 O Si Ta
• SMILES: [Ta]12345(Cl)(Cl)(Cl)Oc6c([Si]([c]71[c]2([c]3([c]4([c]57C)C)C)C)(CC)CC)cc(cc6C(C)(C)C)C
• Title of publication: Silicon-Bridged Tetramethylcyclopentadienyl−Phenoxy Complexes of Tantalum: Preparation and Alkylation of Et2Si(η5-C5Me4)(3-tBu-5-Me-2-C6H2O)TaCl3and Generation of Its Cationic Complex
• Authors of publication: Senda, Taichi; Hanaoka, Hidenori; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2080
• a: 9.6996 ± 0.0019 Å
• b: 15.375 ± 0.003 Å
• c: 17.381 ± 0.004 Å
• α: 90°
• β: 96.316 ± 0.003°
• γ: 90°
• Cell volume: 2576.3 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No