Information card for entry 7059048
| Formula |
C66 H86 Cl2 K2 N20 O12 |
| Calculated formula |
C66 H86 Cl2 K2 N20 O12 |
| Title of publication |
Molecular structure, optical and magnetic properties of free-base tetrapyrazinoporphyrazine in various reduction states |
| Authors of publication |
Konarev, Dmitri V.; Faraonov, Maxim A.; Kuz`min, Alexey V.; Osipov, Nikita G.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2019 |
| Journal volume |
43 |
| Journal issue |
48 |
| Pages of publication |
19214 - 19222 |
| a |
9.8535 ± 0.0003 Å |
| b |
15.7516 ± 0.0007 Å |
| c |
24.2437 ± 0.0011 Å |
| α |
102.29 ± 0.004° |
| β |
99.291 ± 0.003° |
| γ |
95.73 ± 0.003° |
| Cell volume |
3593 ± 0.3 Å3 |
| Cell temperature |
112 ± 2 K |
| Ambient diffraction temperature |
112 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1626 |
| Residual factor for significantly intense reflections |
0.0677 |
| Weighted residual factors for significantly intense reflections |
0.1019 |
| Weighted residual factors for all reflections included in the refinement |
0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.031 |
| 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/7059048.html
