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Information card for entry 4518619
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Coordinates | 4518619.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H62 Fe N4 |
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Calculated formula | C48 H62 Fe N4 |
Title of publication | Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes |
Authors of publication | Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Pages of publication | 5593 - 5600 |
a | 13.8259 ± 0.0003 Å |
b | 10.7782 ± 0.0002 Å |
c | 27.1348 ± 0.0005 Å |
α | 90° |
β | 93.3137 ± 0.0016° |
γ | 90° |
Cell volume | 4036.82 ± 0.14 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 4 |
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 | 0.1062 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1184 |
Weighted residual factors for all reflections included in the refinement | 0.1375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~2,3~ |
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/4518619.html
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Users of the data should acknowledge the original authors of the
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