Information card for entry 2208382
Chemical name |
Aqua(dipicolinato-κ^3^O,N,O')(1,10-phenanthroline-κ^2^N,N)zinc(II) monohydrate |
Formula |
C19 H15 N3 O6 Zn |
Calculated formula |
C19 H15 N3 O6 Zn |
SMILES |
[Zn]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1c(C(=O)O2)cccc1C(=O)O3)[OH2].O |
Title of publication |
Aqua(dipicolinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) monohydrate |
Authors of publication |
Harrison, William T. A.; Ramadevi, Palani; Kumaresan, Sudalaiandi |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
3 |
Pages of publication |
m513 - m515 |
a |
7.5199 ± 0.0003 Å |
b |
20.9079 ± 0.0008 Å |
c |
11.5755 ± 0.0004 Å |
α |
90° |
β |
100.135 ± 0.001° |
γ |
90° |
Cell volume |
1791.56 ± 0.12 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0518 |
Residual factor for significantly intense reflections |
0.031 |
Weighted residual factors for significantly intense reflections |
0.0744 |
Weighted residual factors for all reflections included in the refinement |
0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.967 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2208382.html