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Information card for entry 4518811
Preview
Coordinates | 4518811.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H54 N3 O Rh |
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Calculated formula | C40 H54 N3 O Rh |
Title of publication | Metal‒Ligand Cooperative Proton Transfer as an Efficient Trigger for Rhodium-NHC-Pyridonato Catalyzed gem-Specific Alkyne Dimerization |
Authors of publication | Galiana-Cameo, María; Urriolabeitia, Asier; Barrenas, Eduardo; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Di Giuseppe, Andrea; Polo, Víctor; Castarlenas, Ricardo |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 12 |
Pages of publication | 7553 - 7567 |
a | 11.2672 ± 0.001 Å |
b | 10.7013 ± 0.001 Å |
c | 29.775 ± 0.003 Å |
α | 90° |
β | 90.307 ± 0.001° |
γ | 90° |
Cell volume | 3590 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0366 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.06 |
Weighted residual factors for all reflections included in the refinement | 0.0635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
266963 (current) | 2021-07-04 | cif/ Updating files of 4518811 Original log message: Adding full bibliography for 4518811.cif. |
4518811.cif |
266367 | 2021-06-11 | cif/ Adding structures of 4518811 via cif-deposit CGI script. |
4518811.cif |
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Users of the data should acknowledge the original authors of the
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