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Information card for entry 4121617
Preview
Coordinates | 4121617.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 16 |
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Formula | C20 H30 Cl6 Ta2 |
Calculated formula | C20 H30 Cl6 Ta2 |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ta]12345([Cl][Ta]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)([Cl]1)(Cl)Cl)(Cl)Cl)C)C)C)C |
Title of publication | 1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands. |
Authors of publication | Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 13 |
Pages of publication | 5161 - 5170 |
a | 14.731 ± 0.002 Å |
b | 8.3117 ± 0.0009 Å |
c | 21.044 ± 0.003 Å |
α | 90° |
β | 99.65 ± 0.006° |
γ | 90° |
Cell volume | 2540.2 ± 0.6 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0845 |
Residual factor for significantly intense reflections | 0.0791 |
Weighted residual factors for significantly intense reflections | 0.1756 |
Weighted residual factors for all reflections included in the refinement | 0.1786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.205 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4121617.html
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Users of the data should acknowledge the original authors of the
structural data.