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Information card for entry 7234389
Preview
| Coordinates | 7234389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 N4 S4 |
|---|---|
| Calculated formula | C14 H8 N4 S4 |
| SMILES | S1S[N]C(=N1)c1ccc(cc1)c1ccc(cc1)C1=NSS[N]1 |
| Title of publication | Spatially inhomogeneous, stepwise phase transitions in a thiazyl diradical: a structural mismatch induced by lattice transformation |
| Authors of publication | Rie Suizu; Akito Iwasaki; Yoshiaki Shuku; Kunio Awaga |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7968 - 7977 |
| a | 15.519 ± 0.002 Å |
| b | 7.0945 ± 0.0009 Å |
| c | 25.462 ± 0.003 Å |
| α | 90° |
| β | 107.683 ± 0.0013° |
| γ | 90° |
| Cell volume | 2670.9 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.2199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219097 (current) | 2019-10-04 | cif/ Adding structures of 7234380, 7234381, 7234382, 7234383, 7234384, 7234385, 7234386, 7234387, 7234388, 7234389 via cif-deposit CGI script. |
7234389.cif |
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Users of the data should acknowledge the original authors of the
structural data.