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Information card for entry 4069292
Preview
Coordinates | 4069292.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H54 B Cl N4 O Ru |
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Calculated formula | C51 H54 B Cl N4 O Ru |
SMILES | [Ru]123456(Cl)([n]7n(c(cc7C)C)C(n7[n]1c(cc7C)C)c1ccccc1O)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Base-Free Transfer Hydrogenation of Ketones Using Arene Ruthenium(II) Complexes |
Authors of publication | Carrión, M. Carmen; Sepúlveda, Francisco; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 13 |
Pages of publication | 3822 |
a | 13.918 ± 0.005 Å |
b | 16.627 ± 0.005 Å |
c | 20.011 ± 0.005 Å |
α | 90 ± 0.005° |
β | 104.071 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 4492 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1053 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1334 |
Weighted residual factors for all reflections included in the refinement | 0.176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4069292.html
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Users of the data should acknowledge the original authors of the
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