Information card for entry 4088567

Structure parameters

• Formula: C17 H31 Cl5 O2 Ta2
• Calculated formula: C17 H31 Cl5 O2 Ta2
• SMILES: [Ta]12([O](C)[Ta]345(Cl)(Cl)(Cl)[C]2(=[C]4([C]5(=[C]13CC)CC)CC)CC)(Cl)(Cl)[O]1CCCC1
• 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: 9.596 ± 0.003 Å
• b: 11.061 ± 0.004 Å
• c: 22.163 ± 0.008 Å
• α: 90°
• β: 93.278 ± 0.003°
• γ: 90°
• Cell volume: 2348.6 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No