Information card for entry 4085853

Structure parameters

• Formula: C28 H39 N2 Ta
• Calculated formula: C28 H39 N2 Ta
• SMILES: [Ta](N(C)C)(N(C)C)(CC)(CC)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: 8.3648 ± 0.0012 Å
• b: 11.9259 ± 0.0016 Å
• c: 14.1706 ± 0.0019 Å
• α: 81 ± 0.002°
• β: 74.04 ± 0.002°
• γ: 72.405 ± 0.002°
• Cell volume: 1291.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No