Information card for entry 7228263
| Formula |
C12 H10 N4 O |
| Calculated formula |
C12 H10 N4 O |
| SMILES |
N(/N=C\c1ncccc1)C(=O)c1ccncc1 |
| Title of publication |
Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings |
| Authors of publication |
Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir |
| Journal of publication |
CrystEngComm |
| Year of publication |
2017 |
| a |
7.6439 ± 0.0007 Å |
| b |
11.271 ± 0.002 Å |
| c |
13.576 ± 0.003 Å |
| α |
67.807 ± 0.018° |
| β |
79.669 ± 0.011° |
| γ |
81.247 ± 0.011° |
| Cell volume |
1060.8 ± 0.3 Å3 |
| Cell temperature |
130 ± 0.1 K |
| Ambient diffraction temperature |
130 ± 0.1 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0506 |
| Residual factor for significantly intense reflections |
0.0398 |
| Weighted residual factors for significantly intense reflections |
0.0969 |
| Weighted residual factors for all reflections included in the refinement |
0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7228263.html
