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Information card for entry 7043125
Preview
| Coordinates | 7043125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H31 Cl2 F6 Fe Ni O P S2 Se2 |
|---|---|
| Calculated formula | C23 H31 Cl2 F6 Fe Ni O P S2 Se2 |
| Title of publication | Electrocatalytic Proton Reduction by a Model for [NiFeSe] Hydrogenases |
| Authors of publication | Gezer, Gamze; Durán Jiménez, Dinesh; Siegler, Maxime A.; Bouwman, Elisabeth |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 10.32665 ± 0.00013 Å |
| b | 22.803 ± 0.0002 Å |
| c | 13.72057 ± 0.00017 Å |
| α | 90° |
| β | 105.992 ± 0.0013° |
| γ | 90° |
| Cell volume | 3105.87 ± 0.06 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 10 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196990 (current) | 2017-05-26 | cif/ Adding structures of 7043123, 7043124, 7043125 via cif-deposit CGI script. |
7043125.cif |
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