Information card for entry 7024455
| Formula |
C42 H76 K2 N6 Ru2 Zn2 |
| Calculated formula |
C42 H76 K2 N6 Ru2 Zn2 |
| SMILES |
C[Zn]([c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]7[cH]8[cH]62)C.[K]12[N](CC[N]1(CC[N]2(C)C)C)(C)C |
| Title of publication |
Potassium-mediated zincation of ferrocene and ruthenocene: potassium, the architect behind supramolecular structural variations. |
| Authors of publication |
Clegg, William; Conway, Ben; García-Alvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Russo, Luca |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2010 |
| Journal volume |
39 |
| Journal issue |
1 |
| Pages of publication |
62 - 65 |
| a |
8.8165 ± 0.0003 Å |
| b |
11.938 ± 0.0004 Å |
| c |
12.9284 ± 0.0005 Å |
| α |
114.673 ± 0.004° |
| β |
95.4 ± 0.003° |
| γ |
99.969 ± 0.003° |
| Cell volume |
1196.61 ± 0.09 Å3 |
| Cell temperature |
123 ± 2 K |
| Ambient diffraction temperature |
123 ± 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 |
0.0289 |
| Residual factor for significantly intense reflections |
0.0213 |
| Weighted residual factors for significantly intense reflections |
0.0472 |
| Weighted residual factors for all reflections included in the refinement |
0.0485 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.99 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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