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Information card for entry 4517184
Preview
Coordinates | 4517184.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H32 Mo N P S |
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Calculated formula | C30 H32 Mo N P S |
SMILES | [Mo]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7S1)([N]#[C]2C)[c]1([c]6([c]4([c]5([c]31C)C)C)C)C |
Title of publication | Cooperative Molybdenum-Thiolate Reactivity for Transfer Hydrogenation of Nitriles |
Authors of publication | Hou, Shu-Fen; Chen, Jia-Yi; Xue, Minghui; Jia, Mengjing; Zhai, Xiaofang; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 380 |
a | 11.1248 ± 0.0002 Å |
b | 18.197 ± 0.0003 Å |
c | 12.9432 ± 0.0002 Å |
α | 90° |
β | 90.632 ± 0.002° |
γ | 90° |
Cell volume | 2620.04 ± 0.08 Å3 |
Cell temperature | 172.99 ± 0.1 K |
Ambient diffraction temperature | 172.99 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1017 |
Weighted residual factors for all reflections included in the refinement | 0.1163 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0278 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4517184.html
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Users of the data should acknowledge the original authors of the
structural data.