Information card for entry 4349639
| Formula |
C59 H54 B Cu F4 Ni P4 S2 |
| Calculated formula |
C59 H54 B Cu F4 Ni P4 S2 |
| SMILES |
C1CC[S]2[Cu]34([Ni]52([P](CC[P]5(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[S]14)[P](c1ccccc1)(c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
| Title of publication |
Heteronuclear assembly of Ni–Cu dithiolato complexes: synthesis, structures, and reactivity studies |
| Authors of publication |
Chu, Xiaoxiao; Xu, Xin; Su, Hao; Raje, Sakthi; Angamuthu, Raja; Tung, Chen-Ho; Wang, Wenguang |
| Journal of publication |
Inorganic Chemistry Frontiers |
| Year of publication |
2017 |
| Journal volume |
4 |
| Journal issue |
4 |
| Pages of publication |
706 |
| a |
11.637 ± 0.004 Å |
| b |
14.059 ± 0.005 Å |
| c |
19.665 ± 0.007 Å |
| α |
87.551 ± 0.003° |
| β |
77.012 ± 0.003° |
| γ |
83.794 ± 0.003° |
| Cell volume |
3116 ± 1.9 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173.15 K |
| Number of distinct elements |
8 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1358 |
| Residual factor for significantly intense reflections |
0.0631 |
| Weighted residual factors for significantly intense reflections |
0.1637 |
| Weighted residual factors for all reflections included in the refinement |
0.2039 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.678 |
| Diffraction radiation wavelength |
0.71 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4349639.html
