Information card for entry 2014831
| Chemical name |
diaquadimethanolbis(1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene)zinc(II) bis(perchlorate) 1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene methanol 1.72-solvate 1.28-hydrate |
| Formula |
C39.72 H51.44 Cl2 N12 O15 Zn |
| Calculated formula |
C39.72 H47.16 Cl2 N12 O15 Zn |
| Title of publication |
Concerted coordination and hydrogen-bonding network of the 1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene [Zn(MeOH)~2~(H~2~O)~2~](ClO~4~)~2~ 3:1 complex |
| Authors of publication |
Rinat Shoshnik; Helena Elengoz; Israel Goldberg |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2005 |
| Journal volume |
61 |
| Journal issue |
4 |
| Pages of publication |
m187 - m189 |
| a |
9.417 ± 0.0002 Å |
| b |
10.832 ± 0.0002 Å |
| c |
13.141 ± 0.0003 Å |
| α |
67.839 ± 0.0008° |
| β |
81.304 ± 0.0009° |
| γ |
78.316 ± 0.0009° |
| Cell volume |
1211.56 ± 0.04 Å3 |
| Cell temperature |
110 ± 2 K |
| Ambient diffraction temperature |
110 ± 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 |
0.0621 |
| Residual factor for significantly intense reflections |
0.052 |
| Weighted residual factors for significantly intense reflections |
0.1254 |
| Weighted residual factors for all reflections included in the refinement |
0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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https://www.crystallography.net/2014831.html
