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Information card for entry 7059166
Preview
Coordinates | 7059166.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H59 Br4 N8 Ni2 O1.5 P |
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Calculated formula | C46 H59 Br4 N8 Ni2 O1.5 P |
Title of publication | Catalytic systems based on nickel(ii) complexes with bis(3,5-dimethylpyrazol-1-yl)methane ‒ impact of PPh3 on the formation of precatalysts and selective dimerization of ethylene |
Authors of publication | Zubkevich, S. V.; Tuskaev, V. A.; Gagieva, S. Ch.; Pavlov, A. A.; Khrustalev, V. N.; Polyakova, O. V.; Zarubin, D. N.; Kurmaev, D. A.; Kolosov, N. A.; Bulychev, B. M. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 3 |
Pages of publication | 981 - 993 |
a | 14.695 ± 0.003 Å |
b | 10.158 ± 0.002 Å |
c | 35.371 ± 0.007 Å |
α | 90° |
β | 91.65 ± 0.03° |
γ | 90° |
Cell volume | 5277.7 ± 1.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1097 |
Residual factor for significantly intense reflections | 0.0766 |
Weighted residual factors for significantly intense reflections | 0.1746 |
Weighted residual factors for all reflections included in the refinement | 0.1971 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.80246 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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