Information card for entry 7708177
| Formula |
C10 H20 Cl2 Cu N4 O10 |
| Calculated formula |
C10 H20 Cl2 Cu N4 O10 |
| Title of publication |
Coupling 6-chloro-3-methyluracil with copper: Structural features, theoretical analysis, and biofunctional properties |
| Authors of publication |
Kumar, Brajesh; Das, Tushar; Das, Subhadeep; Maniukiewicz, Waldemar; Nesterov, Dmytro; Kirillov, Alexander; Das, Subrata |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2021 |
| a |
6.966 ± 0.003 Å |
| b |
8.253 ± 0.004 Å |
| c |
9.105 ± 0.004 Å |
| α |
100.737 ± 0.006° |
| β |
111.177 ± 0.006° |
| γ |
98.352 ± 0.007° |
| Cell volume |
466.5 ± 0.4 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 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 |
0.0232 |
| Residual factor for significantly intense reflections |
0.0213 |
| Weighted residual factors for significantly intense reflections |
0.0589 |
| Weighted residual factors for all reflections included in the refinement |
0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0465 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7708177.html
