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Information card for entry 7061637
Preview
Coordinates | 7061637.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H22 N2 Na2 O4 S4 |
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Calculated formula | C16 H22 N2 Na2 O4 S4 |
Title of publication | Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence |
Authors of publication | Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 29 |
Pages of publication | 13987 - 13995 |
a | 7.6815 ± 0.0003 Å |
b | 13.6933 ± 0.0005 Å |
c | 10.3983 ± 0.0004 Å |
α | 90° |
β | 101.964 ± 0.0011° |
γ | 90° |
Cell volume | 1069.99 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0354 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0609 |
Weighted residual factors for all reflections included in the refinement | 0.064 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7061637.html
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Users of the data should acknowledge the original authors of the
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