Information card for entry 4087742

Structure parameters

• Formula: C23 H41 N2 Si3 Ta
• Calculated formula: C23 H41 N2 Si3 Ta
• SMILES: c1c(C[Ta](=N[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)Cc2ccccc2)cccc1
• 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: 9.5766 ± 0.0003 Å
• b: 17.0542 ± 0.0006 Å
• c: 17.4821 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2855.2 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No