Information card for entry 7710175
| Formula |
C12 H58 N9 O53 P V14 |
| Calculated formula |
C12 H54 N9 O53 P V14 |
| Title of publication |
New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules |
| Authors of publication |
Zarroug, Rim; Artetxe, Beñat; Ayed, Brahim; López, Xavier; Ribeiro, Nádia; Correia, Isabel; Pessoa, João Costa |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2022 |
| a |
11.1991 ± 0.0008 Å |
| b |
11.4892 ± 0.0009 Å |
| c |
13.4138 ± 0.0014 Å |
| α |
67.429 ± 0.008° |
| β |
66.782 ± 0.008° |
| γ |
85.757 ± 0.006° |
| Cell volume |
1458.6 ± 0.3 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 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 |
0.1227 |
| Residual factor for significantly intense reflections |
0.0773 |
| Weighted residual factors for significantly intense reflections |
0.1912 |
| Weighted residual factors for all reflections included in the refinement |
0.2335 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 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/7710175.html
