Information card for entry 2230168
Chemical name |
Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4- carboxylato)]manganese(II) |
Formula |
C13 H14 Mn N4 O10 |
Calculated formula |
C13 H14 Mn N4 O10 |
SMILES |
C1(=O)c2c(C(=O)O)[nH]c3CCCc4[n]5[Mn]([n]23)(O1)([OH2])(OC(=O)c5c(C(=O)O)[nH]4)[OH2] |
Title of publication |
Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]manganese(II) |
Authors of publication |
Yang, Huai-Xia; Zhou, Xiaoli; Jin, Guanghua; Meng, Xiang-Ru |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
5 |
Pages of publication |
m560 |
a |
15.62 ± 0.003 Å |
b |
8.531 ± 0.0017 Å |
c |
12.739 ± 0.003 Å |
α |
90° |
β |
97.07 ± 0.03° |
γ |
90° |
Cell volume |
1684.6 ± 0.6 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0447 |
Residual factor for significantly intense reflections |
0.0371 |
Weighted residual factors for significantly intense reflections |
0.0851 |
Weighted residual factors for all reflections included in the refinement |
0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.089 |
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/2230168.html