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Information card for entry 4107134
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Coordinates | 4107134.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 8b |
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Formula | C26 H36 Cl4 N2 Ta |
Calculated formula | C26 H36 Cl4 N2 Ta |
SMILES | CC(c1c(c(ccc1)C(C)C)[N]1[Ta](Cl)(Cl)([N](=CC=1)c1c(cccc1C(C)C)C(C)C)(Cl)Cl)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 | 12.961 ± 0.004 Å |
b | 21.687 ± 0.006 Å |
c | 10.283 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2890.4 ± 1.5 Å3 |
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 | 0.0341 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.1019 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.256 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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