Information card for entry 7044005
| Formula |
C40 H56.29 La2.5 N8 Na0.5 O26.15 |
| Calculated formula |
C40 H56.2966 La2.5 N8 Na0.5 O26.1483 |
| Title of publication |
H4octapa: Synthesis, Solution Equilibria and Complexes with Useful Radiopharmaceutical Metal Ions |
| Authors of publication |
Jaraquemada-Peláez, María de Guadalupe; Wang, Xiaozhu; Clough, Thomas J.; Cao, Yang; Choudhary, Neha; Emler, Kirsten; Patrick, Brian O.; Orvig, Chris |
| Journal of publication |
Dalton Trans. |
| Year of publication |
2017 |
| a |
8.703 ± 0.003 Å |
| b |
16.076 ± 0.006 Å |
| c |
20.536 ± 0.007 Å |
| α |
82.406 ± 0.005° |
| β |
84.822 ± 0.005° |
| γ |
90.092 ± 0.004° |
| Cell volume |
2836.1 ± 1.7 Å3 |
| Cell temperature |
90 ± 2 K |
| Ambient diffraction temperature |
90 ± 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 |
0.0914 |
| Residual factor for significantly intense reflections |
0.0786 |
| Weighted residual factors for significantly intense reflections |
0.2064 |
| Weighted residual factors for all reflections included in the refinement |
0.213 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7044005.html
