Information card for entry 4085851

Structure parameters

• Formula: C24 H29 Cl2 N2 Ta
• Calculated formula: C24 H29 Cl2 N2 Ta
• SMILES: [Ta](Cl)(Cl)(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: 7.6995 ± 0.0007 Å
• b: 16.9002 ± 0.0016 Å
• c: 19.9505 ± 0.0019 Å
• α: 109.215 ± 0.001°
• β: 93.415 ± 0.001°
• γ: 101.012 ± 0.001°
• Cell volume: 2385.2 ± 0.4 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: 0.0833
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0824
• 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