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Information card for entry 7707655
Preview
Coordinates | 7707655.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H8 Br2 N2 Se |
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Calculated formula | C12 H8 Br2 N2 Se |
Title of publication | Novel cationic 1,2,4-selenadiazoles: synthesis via addition of 2-pyridylselenyl halides to unactivated nitriles, structures and four-center SeN contacts. |
Authors of publication | Khrustalev, Victor N.; Grishina, Maria M.; Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Borisova, Galina N.; Osmanov, Vladimir K.; Novikov, Alexander S.; Kirichuk, Anatoly A.; Borisov, Alexander V.; Solari, Euro; Tskhovrebov, Alexander G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 31 |
Pages of publication | 10689 - 10691 |
a | 29.431 ± 0.002 Å |
b | 7.1286 ± 0.0005 Å |
c | 13.0733 ± 0.0009 Å |
α | 90° |
β | 115.186 ± 0.002° |
γ | 90° |
Cell volume | 2482 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0903 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0962 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
268789 (current) | 2021-09-06 | cif/ Updating files of 7707653, 7707654, 7707655 Original log message: Adding full bibliography for 7707653--7707655.cif. |
7707655.cif |
266384 | 2021-06-11 | cif/ Adding structures of 7707653, 7707654, 7707655 via cif-deposit CGI script. |
7707655.cif |
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Users of the data should acknowledge the original authors of the
structural data.