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Information card for entry 4519011
Preview
| Coordinates | 4519011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 F6 Fe N O4 S2 |
|---|---|
| Calculated formula | C12 H10 F6 Fe N O4 S2 |
| Title of publication | Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion. |
| Authors of publication | Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 32 |
| Pages of publication | 21139 - 21146 |
| a | 16.5057 ± 0.0018 Å |
| b | 14.3305 ± 0.0016 Å |
| c | 28.243 ± 0.003 Å |
| α | 90° |
| β | 90.968 ± 0.002° |
| γ | 90° |
| Cell volume | 6679.5 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268436 (current) | 2021-09-03 | cif/ Adding structures of 4519011 via cif-deposit CGI script. |
4519011.cif |
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Users of the data should acknowledge the original authors of the
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