Information card for entry 4075393

Structure parameters

• Formula: C16 H26 Cl3 O2 Ta
• Calculated formula: C16 H26 Cl3 O2 Ta
• SMILES: [Ta]12345(Cl)(Cl)(Cl)([O]=C(OC)C(C5)(C)C)[c]5([c]1([c]2([c]3([c]45C)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: 25.7248 ± 0.002 Å
• b: 21.1152 ± 0.0017 Å
• c: 8.6368 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4691.4 ± 0.7 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No