Information card for entry 7705709
| Formula |
C13 H16 Br F4 O3 P |
| Calculated formula |
C13 H16 Br F4 O3 P |
| SMILES |
Brc1c(F)c(F)c(CP(=O)(OC(C)C)OC(C)C)c(F)c1F |
| Title of publication |
Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes. |
| Authors of publication |
Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2020 |
| Journal volume |
49 |
| Journal issue |
46 |
| Pages of publication |
16683 - 16692 |
| a |
7.6543 ± 0.0006 Å |
| b |
11.3119 ± 0.0008 Å |
| c |
11.4882 ± 0.0009 Å |
| α |
115.082 ± 0.006° |
| β |
97.147 ± 0.006° |
| γ |
106.395 ± 0.006° |
| Cell volume |
829.47 ± 0.13 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100.15 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 |
0.0406 |
| Residual factor for significantly intense reflections |
0.0392 |
| Weighted residual factors for significantly intense reflections |
0.106 |
| Weighted residual factors for all reflections included in the refinement |
0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
| Diffraction radiation wavelength |
1.54186 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7705709.html
