Information card for entry 4072474

Structure parameters

• Formula: C16 H22 Cl3 N2 Si Ta
• Calculated formula: C16 H22 Cl3 N2 Si Ta
• SMILES: [Ta]1(Cl)(Cl)(Cl)([n]2ccccc2)([n]2ccccc2)C(=C1C)[Si](C)(C)C
• 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: 9.515 ± 0.002 Å
• b: 13.757 ± 0.003 Å
• c: 15.565 ± 0.002 Å
• α: 90°
• β: 95.475 ± 0.01°
• γ: 90°
• Cell volume: 2028.1 ± 0.7 ų
• Cell temperature: 150.2 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 significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.908
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK´a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No