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Information card for entry 7061366
Preview
Coordinates | 7061366.cif |
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Original paper (by DOI) | HTML |
Formula | C5 H8 I5 N2 S |
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Calculated formula | C5 H8 I5 N2 S |
Title of publication | A new assembly of diiodine molecules at the 1,3-dimethylimidazole-2-thione (Me2ImS) template: crystal structure of (Me2ImS)2·(I2)5 |
Authors of publication | Garau, Alessandra; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pivetta, Tiziana |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 15 |
Pages of publication | 6870 - 6877 |
a | 7.601 ± 0.002 Å |
b | 9.536 ± 0.002 Å |
c | 11.912 ± 0.002 Å |
α | 101.98 ± 0.02° |
β | 104.86 ± 0.02° |
γ | 97.03 ± 0.02° |
Cell volume | 802.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0383 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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