Information card for entry 1519001
| Formula |
C136 H142 N4 Ni O2 |
| Calculated formula |
C136 H142 N4 Ni O2 |
| Title of publication |
Phenalenyl-fused porphyrins with different ground states |
| Authors of publication |
Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan |
| Journal of publication |
Chem. Sci. |
| Year of publication |
2015 |
| Journal volume |
6 |
| Journal issue |
4 |
| Pages of publication |
2427 |
| a |
12.85 ± 0.0012 Å |
| b |
15.5881 ± 0.0015 Å |
| c |
15.9283 ± 0.0015 Å |
| α |
100.951 ± 0.005° |
| β |
110.033 ± 0.005° |
| γ |
108.118 ± 0.005° |
| Cell volume |
2687.2 ± 0.5 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 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 |
0.1098 |
| Residual factor for significantly intense reflections |
0.0771 |
| Weighted residual factors for significantly intense reflections |
0.2016 |
| Weighted residual factors for all reflections included in the refinement |
0.236 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1519001.html
