Information card for entry 4072475

Structure parameters

• Formula: C16 H34 Cl3 O2 Si Ta
• Calculated formula: C16 H34 Cl3 O2 Si Ta
• SMILES: [Ta]12(Cl)(Cl)(Cl)([O](C)CC[O]1C)C(=C2[Si](C(C)C)(C(C)C)C(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: 7.6198 ± 0.0004 Å
• b: 8.043 ± 0.0003 Å
• c: 20.365 ± 0.002 Å
• α: 94.342 ± 0.006°
• β: 90.295 ± 0.004°
• γ: 116 ± 0.01°
• Cell volume: 1117.53 ± 0.16 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.949
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK´a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No