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Information card for entry 1571181
Preview
| Coordinates | 1571181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H41 Fe O14 S32 |
|---|---|
| Calculated formula | C53 H41 Fe O14 S32 |
| Title of publication | Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate |
| Authors of publication | Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 14 |
| Pages of publication | 1962 - 1975 |
| a | 10.2331 ± 0.001 Å |
| b | 11.1922 ± 0.0009 Å |
| c | 35.2191 ± 0.0014 Å |
| α | 89.485 ± 0.005° |
| β | 86.524 ± 0.006° |
| γ | 62.861 ± 0.009° |
| Cell volume | 3582.2 ± 0.6 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1749 |
| Residual factor for significantly intense reflections | 0.1359 |
| Weighted residual factors for significantly intense reflections | 0.3833 |
| Weighted residual factors for all reflections included in the refinement | 0.4348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.514 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290893 (current) | 2024-04-05 | cif/ Updating files of 1571179, 1571180, 1571181, 1571182, 1571183 Original log message: Adding full bibliography for 1571179--1571183.cif. |
1571181.cif |
| 290396 | 2024-03-08 | cif/ Adding structures of 1571179, 1571180, 1571181, 1571182, 1571183 via cif-deposit CGI script. |
1571181.cif |
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Users of the data should acknowledge the original authors of the
structural data.