Information card for entry 2203969
| Formula |
C96 H66 N6 Zn |
| Calculated formula |
C96 H66 N6 Zn |
| SMILES |
[Zn]123([N]4C5=C(C6N3C(C(=C3[N]2=C(C(=C2N1C(=C(C=4C(=C5c1ccccc1)c1ccccc1)c1ccccc1)C(=C2c1ccccc1)c1ccccc1)c1ccccc1)C(=C3c1ccccc1)c1ccccc1)c1ccccc1)=C(C=6c1ccccc1)c1ccccc1)c1ccccc1)[N]#CC.N#CC |
| Title of publication |
(Acetonitrile-κ<i>N</i>)(2,3,5,7,8,10,12,13,15,17,18,20-dodecaphenylporphyrinato-κ^4^<i>N</i>)zinc(II) acetonitrile solvate |
| Authors of publication |
Kojima, Takahiko; Harada, Ryosuke |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2004 |
| Journal volume |
60 |
| Journal issue |
8 |
| Pages of publication |
m1097 - m1099 |
| a |
11.4472 ± 0.0007 Å |
| b |
18.136 ± 0.002 Å |
| c |
19.063 ± 0.002 Å |
| α |
117.072 ± 0.003° |
| β |
96.767 ± 0.002° |
| γ |
91.495 ± 0.003° |
| Cell volume |
3485.2 ± 0.6 Å3 |
| Cell temperature |
183.1 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.0535 |
| Weighted residual factors for all reflections included in the refinement |
0.1649 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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