Information card for entry 4085849

Structure parameters

• Formula: C26 H39 B N3 Ta
• Calculated formula: C26 H39 B N3 Ta
• SMILES: [Ta]1([H][BH2][H]1)(N(C)C)(N(C)C)(N(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: 8.1186 ± 0.0007 Å
• b: 11.0365 ± 0.0009 Å
• c: 16.5384 ± 0.0017 Å
• α: 107.453 ± 0.001°
• β: 93.685 ± 0.001°
• γ: 108.784 ± 0.001°
• Cell volume: 1316.9 ± 0.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No