Information card for entry 2222069
Chemical name |
Bis(acetato-κ^2^O,O')bis(3,5-dimethyl-1<i>H</i>-pyrazole- κ<i>N</i>^2^)copper(II) |
Formula |
C14 H22 Cu N4 O4 |
Calculated formula |
C14 H22 Cu N4 O4 |
SMILES |
[Cu]12([n]3[nH]c(cc3C)C)([n]3[nH]c(cc3C)C)(OC(=[O]1)C)OC(=[O]2)C |
Title of publication |
Bis(acetato-κ^2^<i>O</i>,<i>O</i>')bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) |
Authors of publication |
Davydenko, Yuliya M.; Fritsky, Igor O.; Pavlenko, Vadim O.; Meyer, Franc; Dechert, Sebastian |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
6 |
Pages of publication |
m691 - m692 |
a |
9.2861 ± 0.0011 Å |
b |
10.1684 ± 0.0012 Å |
c |
10.3139 ± 0.0013 Å |
α |
110.755 ± 0.009° |
β |
100.901 ± 0.01° |
γ |
99.383 ± 0.009° |
Cell volume |
865.7 ± 0.2 Å3 |
Cell temperature |
133 ± 2 K |
Ambient diffraction temperature |
133 ± 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 |
0.0428 |
Residual factor for significantly intense reflections |
0.0315 |
Weighted residual factors for significantly intense reflections |
0.0686 |
Weighted residual factors for all reflections included in the refinement |
0.0714 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.016 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2222069.html