Information card for entry 4085846

Structure parameters

• Formula: C29 H42 N3 Ta
• Calculated formula: C29 H42 N3 Ta
• SMILES: [Ta](N(C)C)(N(C)C)(N(C)C)(CCC)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: 18.3491 ± 0.0016 Å
• b: 8.2356 ± 0.0007 Å
• c: 18.4468 ± 0.0017 Å
• α: 90°
• β: 98.977 ± 0.001°
• γ: 90°
• Cell volume: 2753.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No