Information card for entry 4111238

Structure parameters

• Chemical name: Ta trimethylmethylene complex
• Formula: C22 H38 N2 Ta
• Calculated formula: C22 H38 N2 Ta
• SMILES: [Ta]12345678([C](=[CH2]1)(C2)C3)([N](=C(N4C(C)C)C)C(C)C)[c]1([c]6([c]7([c]8([c]51C)C)C)C)C
• Title of publication: High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations
• Authors of publication: Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16052 - 16053
• a: 34.649 ± 0.003 Å
• b: 8.386 ± 0.0007 Å
• c: 17.2661 ± 0.0015 Å
• α: 90°
• β: 118.401 ± 0.002°
• γ: 90°
• Cell volume: 4413.1 ± 0.7 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No