Information card for entry 7019340
| Formula |
C95 H108 F12 N11 O18.5 P4 Pd2 S4 |
| Calculated formula |
C95 H108 F12 N11 O18.5 P4 Pd2 S4 |
| Title of publication |
Equipping metallo-supramolecular macrocycles with functional groups: assemblies of pyridine-substituted urea ligands. |
| Authors of publication |
Troff, Ralf W.; Hovorka, Rainer; Weilandt, Torsten; Lützen, Arne; Cetina, Mario; Nieger, Martin; Lentz, Dieter; Rissanen, Kari; Schalley, Christoph A. |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2012 |
| Journal volume |
41 |
| Journal issue |
27 |
| Pages of publication |
8410 - 8420 |
| a |
16.3896 ± 0.0002 Å |
| b |
18.3213 ± 0.0002 Å |
| c |
21.5285 ± 0.0003 Å |
| α |
87.68 ± 0.001° |
| β |
78.927 ± 0.001° |
| γ |
71.11 ± 0.001° |
| Cell volume |
6000.88 ± 0.14 Å3 |
| Cell temperature |
173 ± 0.1 K |
| Ambient diffraction temperature |
173 ± 0.1 K |
| Number of distinct elements |
8 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1 |
| Residual factor for significantly intense reflections |
0.078 |
| Weighted residual factors for significantly intense reflections |
0.2499 |
| Weighted residual factors for all reflections included in the refinement |
0.2707 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.087 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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