Information card for entry 4072472

Structure parameters

• Formula: C12 H28 Cl3 O2 Si2 Ta
• Calculated formula: C12 H28 Cl3 O2 Si2 Ta
• SMILES: [Ta]12(Cl)(Cl)(Cl)([O](CC[O]1C)C)C(=C2[Si](C)(C)C)[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: 15.981 ± 0.004 Å
• b: 7.099 ± 0.001 Å
• c: 18.389 ± 0.005 Å
• α: 90°
• β: 96.084 ± 0.005°
• γ: 90°
• Cell volume: 2074.5 ± 0.8 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.547
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No