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Information card for entry 1573923
Preview
| Coordinates | 1573923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H62 Fe4 N4 O10 P4 |
|---|---|
| Calculated formula | C74 H62 Fe4 N4 O10 P4 |
| Title of publication | Amine groups alter product selectivity and rate of catalytic hydride transfer reactions |
| Authors of publication | Pattanayak, Santanu; Siegel, Rachel E.; Liu, Yiming; Fettinger, James C.; Berben, Louise A. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 12.2009 ± 0.0006 Å |
| b | 16.4108 ± 0.0008 Å |
| c | 17.708 ± 0.0008 Å |
| α | 82.274 ± 0.002° |
| β | 76.135 ± 0.003° |
| γ | 84.742 ± 0.003° |
| Cell volume | 3404.5 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297729 (current) | 2025-02-14 | cif/ Adding structures of 1573922, 1573923 via cif-deposit CGI script. |
1573923.cif |
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Users of the data should acknowledge the original authors of the
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