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Information card for entry 4000407
Preview
| Coordinates | 4000407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 Br0.15 Cl0.85 I0.5 S8 |
|---|---|
| Calculated formula | C10 H8 Br0.15 Cl0.85 I0.5 S7.995 |
| SMILES | C1CSC2=C(S1)SC(S2)=C1SC2=C(S1)SCCS2.C1CSC2=C(S1)SC(S2)=C1SC2=C(S1)SCCS2.Cl[I-]Cl |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| a | 6.634 ± 0.001 Å |
| b | 9.783 ± 0.003 Å |
| c | 12.926 ± 0.003 Å |
| α | 87.2 ± 0.02° |
| β | 79 ± 0.02° |
| γ | 81.55 ± 0.02° |
| Cell volume | 814.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for all reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.0592 |
| Goodness-of-fit parameter for all reflections | 1.067 |
| Goodness-of-fit parameter for significantly intense reflections | 1.109 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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