Information card for entry 4000700
| Formula |
C35 H38 N2 O5 P S |
| Calculated formula |
C35 H38 N2 O5 P S |
| SMILES |
S(=O)(=O)([O-])CCNC(=O)C1=CC([N](=O)C1(C)C)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication |
A Purely Organic Paramagnetic Metal, κ-β′′-(BEDT-TTF)2(PO-CONHC2H4SO3), Where PO = 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl Free Radical† |
| Authors of publication |
Akutsu, Hiroki; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin’ichi; Hosokoshi, Yuko; Turner, Scott S. |
| Journal of publication |
Chemistry of Materials |
| Year of publication |
2011 |
| Journal volume |
23 |
| Journal issue |
3 |
| Pages of publication |
762 |
| a |
11.6417 ± 0.0006 Å |
| b |
11.7774 ± 0.0007 Å |
| c |
13.7069 ± 0.0013 Å |
| α |
112.458 ± 0.003° |
| β |
99.9654 ± 0.0009° |
| γ |
99.163 ± 0.001° |
| Cell volume |
1657.3 ± 0.2 Å3 |
| Cell temperature |
295.1 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 significantly intense reflections |
0.0689 |
| Weighted residual factors for all reflections included in the refinement |
0.0567 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.094 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4000700.html
