Information card for entry 7715532
| Formula |
C15 H38 Cl Cu F9 N5 O9 P3 |
| Calculated formula |
C15 H38 Cl Cu F9 N5 O9 P3 |
| 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 |
8.3574 ± 0.0002 Å |
| b |
10.8556 ± 0.0003 Å |
| c |
17.8608 ± 0.0004 Å |
| α |
99.815 ± 0.001° |
| β |
92.158 ± 0.001° |
| γ |
110.264 ± 0.001° |
| Cell volume |
1489.65 ± 0.06 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
8 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0365 |
| Residual factor for significantly intense reflections |
0.0315 |
| Weighted residual factors for significantly intense reflections |
0.0814 |
| Weighted residual factors for all reflections included in the refinement |
0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.058 |
| 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/7715532.html
