Information card for entry 7713402
Formula |
C42 H54 F24 N4 O18 P2 |
Calculated formula |
C42 H54 F24 N4 O18 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 |
12.3608 ± 0.0004 Å |
b |
11.3394 ± 0.0004 Å |
c |
21.7985 ± 0.0008 Å |
α |
90° |
β |
90.019 ± 0.002° |
γ |
90° |
Cell volume |
3055.37 ± 0.18 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 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 |
0.0864 |
Residual factor for significantly intense reflections |
0.0729 |
Weighted residual factors for significantly intense reflections |
0.2061 |
Weighted residual factors for all reflections included in the refinement |
0.2216 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/7713402.html