Information card for entry 4107133

Structure parameters

• Common name: 8a
• Formula: C28 H40 Cl4 N2 Ta
• Calculated formula: C28 H40 Cl4 N2 Ta
• SMILES: [Ta]1(Cl)(Cl)(Cl)(Cl)[N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• 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: 8.9009 ± 0.0019 Å
• b: 8.942 ± 0.002 Å
• c: 10.699 ± 0.003 Å
• α: 82.986 ± 0.011°
• β: 71.318 ± 0.008°
• γ: 67.524 ± 0.009°
• Cell volume: 745.4 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No