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Information card for entry 1560266
Preview
Coordinates | 1560266.cif |
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Original paper (by DOI) | HTML |
Formula | C123 H142 Cl10 F4 N4 O6 P4 Ru2 |
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Calculated formula | C123 H142 Cl10 F4 N4 O6 P4 Ru2 |
Title of publication | A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands |
Authors of publication | León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 7 |
Pages of publication | 2497 - 2511 |
a | 13.3642 ± 0.0003 Å |
b | 15.0349 ± 0.0003 Å |
c | 18.4697 ± 0.0004 Å |
α | 89.212 ± 0.001° |
β | 76.738 ± 0.001° |
γ | 66.771 ± 0.001° |
Cell volume | 3307.09 ± 0.13 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0361 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0926 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
264853 (current) | 2021-05-05 | cif/ Updating files of 1560262, 1560263, 1560264, 1560265, 1560266 Original log message: Adding full bibliography for 1560262--1560266.cif. |
1560266.cif |
261490 | 2021-02-04 | cif/ Adding structures of 1560262, 1560263, 1560264, 1560265, 1560266 via cif-deposit CGI script. |
1560266.cif |
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Users of the data should acknowledge the original authors of the
structural data.