Information card for entry 7054897
| Formula |
C28 H36 N4 Ni O10 |
| Calculated formula |
C28 H36 N4 Ni O10 |
| Title of publication |
Structural, spectroscopic, magnetic behavior and DFT investigations ofl-tyrosinato nickel(ii) coordination polymer |
| Authors of publication |
Wojciechowska, Agnieszka; Janczak, Jan; Staszak, Zbigniew; Duczmal, Marek; Zierkiewicz, Wiktor; Tokar, Jadwiga; Ozarowski, Andrew |
| Journal of publication |
New J. Chem. |
| Year of publication |
2015 |
| Journal volume |
39 |
| Journal issue |
9 |
| Pages of publication |
6813 |
| a |
9.6658 ± 0.0012 Å |
| b |
13.5399 ± 0.0017 Å |
| c |
11.4516 ± 0.0013 Å |
| α |
90° |
| β |
98.777 ± 0.012° |
| γ |
90° |
| Cell volume |
1481.2 ± 0.3 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.2051 |
| Residual factor for significantly intense reflections |
0.0854 |
| Weighted residual factors for significantly intense reflections |
0.073 |
| Weighted residual factors for all reflections included in the refinement |
0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.008 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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