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Information card for entry 1566664
Preview
Coordinates | 1566664.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H83 N6 O3 P6 Ru2 |
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Calculated formula | C100 H83 N6 O3 P6 Ru2 |
Title of publication | Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation |
Authors of publication | Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A. |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2022 |
Journal volume | 12 |
Journal issue | 9 |
Pages of publication | 2972 - 2977 |
a | 14.8971 ± 0.0003 Å |
b | 22.753 ± 0.0004 Å |
c | 28.6172 ± 0.0004 Å |
α | 90° |
β | 100.332 ± 0.0006° |
γ | 90° |
Cell volume | 9542.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.05 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.0975 |
Weighted residual factors for all reflections included in the refinement | 0.102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1566664.html
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structural data.