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Information card for entry 4131757
Preview
Coordinates | 4131757.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H56 F3 N2 O3 Os P3 S Si |
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Calculated formula | C37 H56 F3 N2 O3 Os P3 S Si |
SMILES | [Os]123([P](c4c([Si]3(c3ccccc3[P]1(C(C)C)C(C)C)c1c([P]2(C(C)C)C(C)C)cccc1)cccc4)(C(C)C)C(C)C)=NN.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes. |
Authors of publication | Fajardo, Jr, Javier; Peters, Jonas C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 45 |
Pages of publication | 16105 - 16108 |
a | 22.2348 ± 0.0015 Å |
b | 12.2611 ± 0.0007 Å |
c | 15.1377 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4126.9 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 99.98 K |
Number of distinct elements | 9 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0367 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0479 |
Weighted residual factors for all reflections included in the refinement | 0.0497 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
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/4131757.html
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