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Information card for entry 7712267
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Coordinates | 7712267.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Complex of Cu(I) iodide with 2-methyl-6-(benzylthio)pyridine |
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Formula | C26 H26 Cu2 I2 N2 S2 |
Calculated formula | C26 H26 Cu2 I2 N2 S2 |
Title of publication | A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation |
Authors of publication | Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing |
Journal of publication | Dalton Transactions |
Year of publication | 2023 |
a | 11.5255 ± 0.0009 Å |
b | 10.2674 ± 0.0007 Å |
c | 12.1602 ± 0.0009 Å |
α | 90° |
β | 97.018 ± 0.003° |
γ | 90° |
Cell volume | 1428.22 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0812 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.1459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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