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Information card for entry 1550629
Preview
| Coordinates | 1550629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C148.57 H175.16 B6 Cl5.16 Fe N10 |
|---|---|
| Calculated formula | C148.574 H175.16 B6 Cl5.16 Fe N10 |
| Title of publication | Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range |
| Authors of publication | McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 17.5522 ± 0.0006 Å |
| b | 21.2914 ± 0.0007 Å |
| c | 35.9929 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13450.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1439 |
| Residual factor for significantly intense reflections | 0.1006 |
| Weighted residual factors for significantly intense reflections | 0.2528 |
| Weighted residual factors for all reflections included in the refinement | 0.289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213771 (current) | 2019-02-22 | cif/ Adding structures of 1550629, 1550630, 1550631 via cif-deposit CGI script. |
1550629.cif |
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Users of the data should acknowledge the original authors of the
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