Information card for entry 4085855

Structure parameters

• Formula: C32 H47 N2 Ta
• Calculated formula: C32 H47 N2 Ta
• SMILES: [Ta](N(C)C)(N(C)C)(CCCC)(CCCC)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: 9.566 ± 0.004 Å
• b: 10.824 ± 0.004 Å
• c: 15.35 ± 0.006 Å
• α: 76.545 ± 0.005°
• β: 83.679 ± 0.005°
• γ: 80.275 ± 0.005°
• Cell volume: 1519.4 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No