Information card for entry 7713398
| Formula |
C16 H42 Cl2 F6 N4 O8 P2 |
| Calculated formula |
C16 H42 Cl2 F6 N4 O8 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 |
7.5425 ± 0.0004 Å |
| b |
9.9805 ± 0.0005 Å |
| c |
11.3345 ± 0.0005 Å |
| α |
71.923 ± 0.001° |
| β |
72.722 ± 0.001° |
| γ |
69.534 ± 0.001° |
| Cell volume |
742.71 ± 0.06 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0264 |
| Residual factor for significantly intense reflections |
0.0261 |
| Weighted residual factors for significantly intense reflections |
0.0698 |
| Weighted residual factors for all reflections included in the refinement |
0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7713398.html
