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Information card for entry 7238772
Preview
| Coordinates | 7238772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H31 Co Fe O P2 S2 |
|---|---|
| Calculated formula | C34 H31 Co Fe O P2 S2 |
| Title of publication | Synthesis, characterization and computational study of heterobimetallic CoFe complexes for mimicking hydrogenase |
| Authors of publication | Gao, Hui; Huang, Jing; Chen, Limin; Liu, Ruliang; Chen, Jinzhu |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 11 |
| Pages of publication | 3557 |
| a | 16.0226 ± 0.001 Å |
| b | 21.7926 ± 0.0011 Å |
| c | 8.8475 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3089.3 ± 0.3 Å3 |
| Cell temperature | 393 ± 2 K |
| Ambient diffraction temperature | 393 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244341 (current) | 2019-11-28 | cif/ Adding structures of 7238772 via cif-deposit CGI script. |
7238772.cif |
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Users of the data should acknowledge the original authors of the
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