Information card for entry 7713397
Formula |
C16 H37 F6 N4 Ni O7.5 P2 |
Calculated formula |
C16 H32 F6 N4 Ni O5 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 |
9.6825 ± 0.0003 Å |
b |
13.409 ± 0.0004 Å |
c |
20.7058 ± 0.0005 Å |
α |
90° |
β |
92.318 ± 0.001° |
γ |
90° |
Cell volume |
2686.09 ± 0.13 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
7 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0278 |
Residual factor for significantly intense reflections |
0.0241 |
Weighted residual factors for significantly intense reflections |
0.0592 |
Weighted residual factors for all reflections included in the refinement |
0.0608 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7713397.html