Information card for entry 4107130

Structure parameters

• Common name: 2b
• Formula: C26 H36 Cl3 N2 Ta
• Calculated formula: C26 H36 Cl3 N2 Ta
• SMILES: C1C=[N](c2c(cccc2C(C)C)C(C)C)[Ta]([N]=1c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)Cl
• Title of publication: Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes
• Authors of publication: Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18673 - 18683
• a: 12.4432 ± 0.0007 Å
• b: 21.6411 ± 0.0012 Å
• c: 10.2993 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2773.4 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No