Information card for entry 1551212
| Formula |
C40 H54 B2 Mg N4 O5 |
| Calculated formula |
C40 H54 B2 Mg N4 O5 |
| SMILES |
[Mg]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)N2c3c4c(NB2B2Nc5c6c(N12)cccc6ccc5)cccc4ccc3.O1CCCC1.O1CCCC1 |
| Title of publication |
Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property. |
| Authors of publication |
Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2019 |
| Journal volume |
48 |
| Journal issue |
25 |
| Pages of publication |
9067 - 9071 |
| a |
11.2144 ± 0.0011 Å |
| b |
29.474 ± 0.003 Å |
| c |
11.6873 ± 0.0011 Å |
| α |
90° |
| β |
101.772 ± 0.009° |
| γ |
90° |
| Cell volume |
3781.8 ± 0.7 Å3 |
| Cell temperature |
180 ± 0.1 K |
| Ambient diffraction temperature |
180 ± 0.1 K |
| Number of distinct elements |
6 |
| 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 |
0.0713 |
| Residual factor for significantly intense reflections |
0.059 |
| Weighted residual factors for significantly intense reflections |
0.1522 |
| Weighted residual factors for all reflections included in the refinement |
0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
| Diffraction radiation probe |
x-ray |
| 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/1551212.html
