Information card for entry 7046326
| Formula |
C125 H128 B2 F30 N4 |
| Calculated formula |
C125 H128 B2 F30 N4 |
| Title of publication |
Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes. |
| Authors of publication |
Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2018 |
| Journal volume |
47 |
| Journal issue |
22 |
| Pages of publication |
7445 - 7455 |
| a |
12.172 ± 0.0005 Å |
| b |
16.2564 ± 0.0007 Å |
| c |
17.7217 ± 0.0005 Å |
| α |
68.934 ± 0.003° |
| β |
72.219 ± 0.003° |
| γ |
70.185 ± 0.004° |
| Cell volume |
3010.5 ± 0.2 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 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 |
0.0502 |
| Residual factor for significantly intense reflections |
0.0456 |
| Weighted residual factors for all reflections |
0.123 |
| Weighted residual factors for significantly intense reflections |
0.118 |
| Weighted residual factors for all reflections included in the refinement |
0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.973 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7046326.html
