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Information card for entry 1557358
Preview
Coordinates | 1557358.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H39 Cl4 N P2 Ru S |
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Calculated formula | C36 H39 Cl4 N P2 Ru S |
Title of publication | Engineering Catalysts for Selective Ester Hydrogenation |
Authors of publication | Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. |
Journal of publication | Organic Process Research & Development |
Year of publication | 2020 |
a | 10.4094 ± 0.0009 Å |
b | 13.855 ± 0.0011 Å |
c | 13.8759 ± 0.0011 Å |
α | 72.843 ± 0.001° |
β | 74.273 ± 0.001° |
γ | 73.643 ± 0.001° |
Cell volume | 1795.8 ± 0.3 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.024 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0574 |
Weighted residual factors for all reflections included in the refinement | 0.0576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
248352 (current) | 2020-02-21 | cif/ Adding structures of 1557354, 1557355, 1557356, 1557357, 1557358, 1557359 via cif-deposit CGI script. |
1557358.cif |
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Users of the data should acknowledge the original authors of the
structural data.