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Information card for entry 4134448
Preview
Coordinates | 4134448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H94 Li O8 P3 Ru |
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Calculated formula | C88 H94 Li O8 P3 Ru |
SMILES | [RuH]12([P](c3c1cccc3)(c1ccccc1)c1ccccc1)([P](c1c2cccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[O]12CC[O]3CC[O]4CC[O](CC1)[Li]156234[O]2CC[O]1CC[O]5CC[O]6CC2.c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Zn-Promoted C-H Reductive Elimination and H<sub>2</sub> Activation via a Dual Unsaturated Heterobimetallic Ru-Zn Intermediate. |
Authors of publication | Miloserdov, Fedor M.; Rajabi, Nasir A.; Lowe, John P.; Mahon, Mary F.; Macgregor, Stuart A.; Whittlesey, Michael K. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 13 |
Pages of publication | 6340 - 6349 |
a | 14.8201 ± 0.0003 Å |
b | 16.2071 ± 0.0004 Å |
c | 17.1082 ± 0.0003 Å |
α | 94.116 ± 0.002° |
β | 93.148 ± 0.002° |
γ | 112.751 ± 0.002° |
Cell volume | 3764.44 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0644 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0886 |
Weighted residual factors for all reflections included in the refinement | 0.0982 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4134448.html
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Users of the data should acknowledge the original authors of the
structural data.