Information card for entry 7713393
| Formula |
C30 H56 F6 N4 O10 P2 |
| Calculated formula |
C30 H56 F6 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 |
8.9086 ± 0.0003 Å |
| b |
10.8155 ± 0.0004 Å |
| c |
11.992 ± 0.0004 Å |
| α |
63.673 ± 0.001° |
| β |
70.031 ± 0.001° |
| γ |
76.398 ± 0.001° |
| Cell volume |
968.51 ± 0.06 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 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 |
0.0415 |
| Residual factor for significantly intense reflections |
0.0339 |
| Weighted residual factors for significantly intense reflections |
0.0876 |
| Weighted residual factors for all reflections included in the refinement |
0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
| 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/7713393.html
