Information card for entry 4107135

Structure parameters

• Common name: 8c
• Formula: C79 H80 Cl8 N4 Ta2
• Calculated formula: C79 H80 Cl8 N4 Ta2
• 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: 11.424 ± 0.003 Å
• b: 12.975 ± 0.003 Å
• c: 13.899 ± 0.004 Å
• α: 66.732 ± 0.006°
• β: 78.476 ± 0.009°
• γ: 80.581 ± 0.009°
• Cell volume: 1846.2 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No