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Information card for entry 4127228
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4127228.cif |
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Original paper (by DOI) | HTML |
Formula | C63 H94 Co N4 O2 |
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Calculated formula | C63 H94 Co N4 O2 |
SMILES | [Co]1([O]=Nc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)([O]=[N]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species. |
Authors of publication | Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 19 |
Pages of publication | 7731 - 7735 |
a | 28.843 ± 0.0007 Å |
b | 11.3664 ± 0.0002 Å |
c | 20.0835 ± 0.0005 Å |
α | 90° |
β | 101.489 ± 0.002° |
γ | 90° |
Cell volume | 6452.3 ± 0.3 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0862 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1444 |
Weighted residual factors for all reflections included in the refinement | 0.1586 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/4127228.html
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Users of the data should acknowledge the original authors of the
structural data.