Information card for entry 2213845
Chemical name |
Aqua[(pyridine-2,6-dicarboxylato-N-oxide-κ^2^O^1^,O^2^) (2,2'-bipyridine-κ^2^N,N')]copper(II) trihydrate |
Formula |
C17 H19 Cu N3 O9 |
Calculated formula |
C17 H19 Cu N3 O9 |
SMILES |
[Cu]12([n]3c(c4[n]1cccc4)cccc3)([OH2])OC(=O)c1n(c(ccc1)C(=O)[O-])=[O]2.O.O.O |
Title of publication |
Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylate <i>N</i>-oxide-κ^2^<i>O</i>^1^,<i>O</i>^2^)copper(II) trihydrate |
Authors of publication |
Zhang, Xin-Yan |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
6 |
Pages of publication |
m1690 |
a |
6.8293 ± 0.0002 Å |
b |
11.8827 ± 0.0004 Å |
c |
12.5673 ± 0.0004 Å |
α |
86.136 ± 0.002° |
β |
81.584 ± 0.002° |
γ |
86.151 ± 0.002° |
Cell volume |
1004.87 ± 0.06 Å3 |
Cell temperature |
297 ± 2 K |
Ambient diffraction temperature |
297 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0606 |
Residual factor for significantly intense reflections |
0.045 |
Weighted residual factors for significantly intense reflections |
0.1288 |
Weighted residual factors for all reflections included in the refinement |
0.1403 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
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/2213845.html