Information card for entry 4072476

Structure parameters

• Formula: C14 H18 Cl3 O4 Ta
• Calculated formula: C14 H18 Cl3 O4 Ta
• SMILES: [Ta]12(Cl)(Cl)(Cl)([O](C)CC[O]1C)C(=C2c1ccccc1)C(=O)OC
• Title of publication: Alkyne Exchange Reactions of Silylalkyne Complexes of Tantalum: Mechanistic Investigation and Its Application in the Preparation of New Tantalum Complexes Having Functional Alkynes (PhC⋮CR (R = COOMe, CONMe2))
• Authors of publication: Oshiki, Toshiyuki; Yamada, Atsushi; Kawai, Kimio; Arimitsu, Hirotaka; Takai, Kazuhiko
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 173
• a: 8.838 ± 0.002 Å
• b: 19.349 ± 0.002 Å
• c: 10.576 ± 0.002 Å
• α: 90°
• β: 90.54 ± 0.02°
• γ: 90°
• Cell volume: 1808.5 ± 0.6 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.923
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No