Information card for entry 7126210
| Formula |
C44 H46 Fe N2 O2 |
| Calculated formula |
C44 H46 Fe N2 O2 |
| SMILES |
[Fe]1(OC(c2ccccc2)(c2ccccc2)c2ccccc2)(OC(c2ccccc2)(c2ccccc2)c2ccccc2)[N](C)(C)CC[N]1(C)C |
| Title of publication |
Self-assembly of an organometallic Fe<sub>9</sub>O<sub>6</sub> cluster from aerobic oxidation of (tmeda)Fe(CH<sub>2</sub><sup>t</sup>Bu)<sub>2</sub>. |
| Authors of publication |
Kephart, Jonathan A.; Hecht, Zachary; Livesay, Brooke N.; Bhowmick, Indrani; Shores, Matthew P.; Popescu, V. Codrina; Arulsamy, Navamoney; Hulley, Elliott B. |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2020 |
| Journal volume |
56 |
| Journal issue |
37 |
| Pages of publication |
4994 - 4997 |
| a |
17.7 ± 0.002 Å |
| b |
10.2249 ± 0.0012 Å |
| c |
20.534 ± 0.003 Å |
| α |
90° |
| β |
101.099 ± 0.002° |
| γ |
90° |
| Cell volume |
3646.7 ± 0.8 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
5 |
| 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 |
0.1281 |
| Residual factor for significantly intense reflections |
0.0578 |
| Weighted residual factors for significantly intense reflections |
0.1086 |
| Weighted residual factors for all reflections included in the refinement |
0.1364 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7126210.html
