Information card for entry 7715528
Formula |
C12 H21 F3 N O2 P |
Calculated formula |
C12 H21 F3 N O2 P |
Title of publication |
Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging |
Authors of publication |
Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr |
Journal of publication |
Dalton Transactions |
Year of publication |
2024 |
a |
12.9012 ± 0.0004 Å |
b |
6.537 ± 0.0002 Å |
c |
17.6777 ± 0.0006 Å |
α |
90° |
β |
110.443 ± 0.001° |
γ |
90° |
Cell volume |
1396.96 ± 0.08 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0379 |
Residual factor for significantly intense reflections |
0.0315 |
Weighted residual factors for significantly intense reflections |
0.0834 |
Weighted residual factors for all reflections included in the refinement |
0.0873 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.08 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7715528.html