Information card for entry 2212041
Chemical name |
(3,5-Dichloro-2-oxidobenzoato-κ^2^O,O')(1,10-phenanthroline- κ^2^N,N')copper(II) monohydrate |
Formula |
C19 H12 Cl2 Cu N2 O4 |
Calculated formula |
C19 H12 Cl2 Cu N2 O4 |
SMILES |
[Cu]12([n]3c4c5[n]1cccc5ccc4ccc3)OC(=O)c1c(O2)c(Cl)cc(Cl)c1.O |
Title of publication |
(3,5-Dichloro-2-oxidobenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate |
Authors of publication |
Zhang, Shu-Hua; Feng, Xiao-Zhen; Li, Guang-Zhao; Jing, Li-Xia; Liu, Zheng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
m535 - m536 |
a |
4.6955 ± 0.0015 Å |
b |
20.383 ± 0.003 Å |
c |
18.439 ± 0.002 Å |
α |
90° |
β |
97.105 ± 0.002° |
γ |
90° |
Cell volume |
1751.2 ± 0.6 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
6 |
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 |
0.0783 |
Residual factor for significantly intense reflections |
0.0458 |
Weighted residual factors for significantly intense reflections |
0.0953 |
Weighted residual factors for all reflections included in the refinement |
0.1107 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2212041.html