Information card for entry 4085848

Structure parameters

• Formula: C31 H46 N3 Ta
• Calculated formula: C31 H46 N3 Ta
• SMILES: [Ta](N(C)C)(N(C)C)(N(C)C)(CC(C)(C)C)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds
• Authors of publication: Sattler, Aaron; Parkin, Gerard
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1828
• a: 9.8935 ± 0.0019 Å
• b: 11.596 ± 0.002 Å
• c: 13.552 ± 0.003 Å
• α: 91.385 ± 0.003°
• β: 106.725 ± 0.003°
• γ: 98.74 ± 0.003°
• Cell volume: 1467.9 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No