Information card for entry 4075392

Structure parameters

• Formula: C15 H24 Cl3 O2 Ta
• Calculated formula: C15 H24 Cl3 O2 Ta
• SMILES: [Ta]12345(Cl)(Cl)(Cl)([O]=C(OCC)CC5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes
• Authors of publication: Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 3179
• a: 8.6818 ± 0.0003 Å
• b: 13.6267 ± 0.0003 Å
• c: 14.9759 ± 0.0004 Å
• α: 90°
• β: 92.3894 ± 0.0014°
• γ: 90°
• Cell volume: 1770.17 ± 0.09 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0152
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections included in the refinement: 0.028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No