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Information card for entry 4515506
Preview
Coordinates | 4515506.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H20 Fe2 |
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Calculated formula | C24 H20 Fe2 |
SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([cH]5[cH]6[cH]7[cH]81)C#CC(=C)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91 |
Title of publication | Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes |
Authors of publication | Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 2 |
Pages of publication | 810 |
a | 11.736 ± 0.002 Å |
b | 10.478 ± 0.002 Å |
c | 14.979 ± 0.003 Å |
α | 90° |
β | 102.775 ± 0.01° |
γ | 90° |
Cell volume | 1796.4 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1311 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.0951 |
Weighted residual factors for all reflections included in the refinement | 0.1148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 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/4515506.html
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Users of the data should acknowledge the original authors of the
structural data.