Information card for entry 4085847

Structure parameters

• Formula: C30 H44 N3 Ta
• Calculated formula: C30 H44 N3 Ta
• 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: 9.2501 ± 0.0019 Å
• b: 11.644 ± 0.002 Å
• c: 13.988 ± 0.003 Å
• α: 91.261 ± 0.003°
• β: 101.672 ± 0.003°
• γ: 105.295 ± 0.003°
• Cell volume: 1418.7 ± 0.5 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: 0.0332
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No