Information card for entry 4087743

Structure parameters

• Formula: C22 H66 N4 O2 Si6 Ta2
• Calculated formula: C22 H66 N4 O2 Si6 Ta2
• SMILES: C[Ta]1(N([Si](C)(C)C)[Si](C)(C)C)(=N[Si](C)(C)C)[O](C)[Ta](C)(N([Si](C)(C)C)[Si](C)(C)C)(=N[Si](C)(C)C)[O]1C
• Title of publication: Syntheses and Characterization of Tantalum Alkyl Imides and Amide Imides. DFT Studies of Unusual α-SiMe3 Abstraction by an Amide Ligand
• Authors of publication: Hunter, Seth C.; Chen, Shu-Jian; Steren, Carlos A.; Richmond, Michael G.; Xue, Zi-Ling
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5687
• a: 9.4036 ± 0.0007 Å
• b: 16.0261 ± 0.0011 Å
• c: 13.5459 ± 0.001 Å
• α: 90°
• β: 92.705 ± 0.001°
• γ: 90°
• Cell volume: 2039.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0189
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No