Information card for entry 4088566

Structure parameters

• Formula: C18 H34 Cl4 O3 Ta2
• Calculated formula: C18 H34 Cl4 O3 Ta2
• SMILES: [Ta]12([O](C)[Ta]3(Cl)(Cl)([O]1C)([O]1CCCC1)[C](#[C]3CC)CC)(Cl)(Cl)[C](#[C]2CC)CC
• Title of publication: Alkyne-Induced Facile C‒C Bond Formation of Two η2-Alkynes on Dinuclear Tantalum Bis(alkyne) Complexes To Give Dinuclear Tantalacyclopentadienes
• Authors of publication: Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1573
• a: 14.402 ± 0.004 Å
• b: 12.344 ± 0.003 Å
• c: 14.608 ± 0.004 Å
• α: 90°
• β: 102.416 ± 0.014°
• γ: 90°
• Cell volume: 2536.2 ± 1.2 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No