Information card for entry 4000926

Structure parameters

• Formula: C17 H44 N7 Ta
• Calculated formula: C17 H44 N7 Ta
• SMILES: [Ta]1(N(C)C)(N(C)C)(N(C)C)(N(C)C)[N](=C(N1CC)N(C)C)C(C)(C)C
• Title of publication: New Tantalum Amido Complexes with Chelate Ligands as Metalorganic (MO) Precursors for Chemical Vapor Deposition (CVD) of Tantalum Nitride Thin Films
• Authors of publication: Chen, Tianniu; Xu, Chongying; Baum, Thomas H.; Stauf, Gregory T.; Roeder, Jeffrey F.; DiPasquale, Antonio G.; Rheingold, Arnold L.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 27
• a: 11.2064 ± 0.0007 Å
• b: 14.4508 ± 0.0009 Å
• c: 14.4693 ± 0.0009 Å
• α: 90°
• β: 99.516 ± 0.001°
• γ: 90°
• Cell volume: 2310.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No