Information card for entry 4000927

Structure parameters

• Formula: C17 H44 N7 Ta
• Calculated formula: C17 H40 N7 Ta
• SMILES: CC(N1C(=[N]([Ta]1(N(C)C)(N(C)C)(N(C)C)N(C)C)C(C)C)N(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: 17.835 ± 0.002 Å
• b: 17.835 ± 0.002 Å
• c: 14.457 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4598.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No