Information card for entry 7713401
| Formula |
C16 H44 Cl F6 Li N4 O10 P2 |
| Calculated formula |
C16 H44 Cl F6 Li N4 O10 P2 |
| Title of publication |
Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging. |
| Authors of publication |
Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2023 |
| a |
9.4863 ± 0.0006 Å |
| b |
11.7783 ± 0.0006 Å |
| c |
13.6581 ± 0.0008 Å |
| α |
99.947 ± 0.002° |
| β |
90.009 ± 0.002° |
| γ |
99.799 ± 0.002° |
| Cell volume |
1480.5 ± 0.15 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 |
0.0424 |
| Residual factor for significantly intense reflections |
0.0387 |
| Weighted residual factors for significantly intense reflections |
0.1043 |
| Weighted residual factors for all reflections included in the refinement |
0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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