Information card for entry 7108655
| Formula |
C66 H89 N6 O2 Y |
| Calculated formula |
C66 H89 N6 O2 Y |
| SMILES |
[Y]1([O]2CCCC2)([O]2CCCC2)(n2cc(c3c2cccc3)/C=N/C(C)(C)C)(n2cc(c3c2cccc3)/C=N/C(C)(C)C)[N](=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1 |
| Title of publication |
Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C–H activation with a novel η1:(μ2–η1:η1) bonding with metals |
| Authors of publication |
Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun |
| Journal of publication |
Chemical Communications (Cambridge, United Kingdom) |
| Year of publication |
2012 |
| Journal volume |
48 |
| Journal issue |
98 |
| Pages of publication |
12020 - 12022 |
| a |
11.863 ± 0.0012 Å |
| b |
13.341 ± 0.0014 Å |
| c |
20.967 ± 0.002 Å |
| α |
106.19 ± 0.006° |
| β |
102.549 ± 0.013° |
| γ |
91.116 ± 0.007° |
| Cell volume |
3099.2 ± 0.6 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.058 |
| Residual factor for significantly intense reflections |
0.0447 |
| Weighted residual factors for significantly intense reflections |
0.0938 |
| Weighted residual factors for all reflections included in the refinement |
0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.974 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7108655.html
