Information card for entry 7206407
| Formula |
C30 H50 N6 Ni O4 P2 S4 |
| Calculated formula |
C30 H50 N6 Ni O4 P2 S4 |
| Title of publication |
Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2] |
| Authors of publication |
Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann |
| Journal of publication |
CrystEngComm |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
17 |
| Pages of publication |
5321 |
| a |
15.0369 ± 0.0005 Å |
| b |
17.5722 ± 0.0006 Å |
| c |
24.6552 ± 0.0008 Å |
| α |
89.796 ± 0.002° |
| β |
73.261 ± 0.002° |
| γ |
72.496 ± 0.002° |
| Cell volume |
5925.1 ± 0.4 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0983 |
| Residual factor for significantly intense reflections |
0.0468 |
| Weighted residual factors for significantly intense reflections |
0.0989 |
| Weighted residual factors for all reflections included in the refinement |
0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7206407.html
