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Information card for entry 4125210
Preview
| Coordinates | 4125210.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | eishl03 |
|---|---|
| Formula | C60 H96 Fe2 N2 S8 |
| Calculated formula | C60 H96 Fe2 N2 S8 |
| Title of publication | Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes. |
| Authors of publication | Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 36 |
| Pages of publication | 11654 - 11663 |
| a | 34.115 ± 0.002 Å |
| b | 34.115 ± 0.002 Å |
| c | 15.1763 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 15296.3 ± 1.6 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1164 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.146 |
| Weighted residual factors for all reflections included in the refinement | 0.1829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187900 (current) | 2016-11-06 | cif/ Updating files of 4125209, 4125210, 4125211, 4125212 Original log message: Adding full bibliography for 4125209--4125212.cif. |
4125210.cif |
| 186134 | 2016-09-06 | cif/ Adding structures of 4125209, 4125210, 4125211, 4125212 via cif-deposit CGI script. |
4125210.cif |
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Users of the data should acknowledge the original authors of the
structural data.