Information card for entry 2228972
Chemical name |
Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato- κ^2^<i>O</i>,<i>O</i>)copper(II) |
Formula |
C6 H7 Br Cu N2 O7 |
Calculated formula |
C6 H7 Br Cu N2 O7 |
SMILES |
[Cu]1(OC(=O)c2cccc(Br)[n]12)(ON(=O)=O)([OH2])[OH2] |
Title of publication |
Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>)copper(II) |
Authors of publication |
Silva, Joana A.; Pereira Magalhães, Ana; Ramos Silva, Manuela; Sobral, Abílio J. F. N.; Pereira, Laura C. J. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
2 |
Pages of publication |
m160 |
a |
9.0791 ± 0.0014 Å |
b |
14.035 ± 0.002 Å |
c |
17.165 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2187.3 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
6 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0998 |
Residual factor for significantly intense reflections |
0.0377 |
Weighted residual factors for significantly intense reflections |
0.0858 |
Weighted residual factors for all reflections included in the refinement |
0.137 |
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/2228972.html