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Information card for entry 4135498
Preview
Coordinates | 4135498.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H78 O10 P4 Re2 |
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Calculated formula | C50 H78 O10 P4 Re2 |
Title of publication | Temperature and Solvent Effects on H<sub>2</sub> Splitting and Hydricity: Ramifications on CO<sub>2</sub> Hydrogenation by a Rhenium Pincer Catalyst. |
Authors of publication | Hu, Jenny; Bruch, Quinton J.; Miller, Alexander J. M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2021 |
Journal volume | 143 |
Journal issue | 2 |
Pages of publication | 945 - 954 |
a | 8.677 ± 0.007 Å |
b | 12.469 ± 0.008 Å |
c | 13.453 ± 0.01 Å |
α | 98.51 ± 0.02° |
β | 98.6 ± 0.04° |
γ | 105.218 ± 0.015° |
Cell volume | 1361.7 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0232 |
Residual factor for significantly intense reflections | 0.0225 |
Weighted residual factors for significantly intense reflections | 0.0563 |
Weighted residual factors for all reflections included in the refinement | 0.0566 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4135498.html
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