Information card for entry 2219167
Chemical name |
catena-Poly[manganese(II)-(μ~2~-3,5-di-2-pyridyl-1,2,4-triazolato)-μ~2~- formato] |
Formula |
C13 H9 Mn N5 O2 |
Calculated formula |
C13 H9 Mn N5 O2 |
SMILES |
[Mn]123([n]4ccccc4c4n1[n]1[Mn]([n]5ccccc5c1n4)OC=[O]2)([n]1ccccc1c1n3nc(n1)c1ccccn1)OC=O |
Title of publication |
<i>catena</i>-Poly[manganese(II)-(μ~2~-3,5-di-2-pyridyl-1,2,4-triazolato)-μ~2~-formato] |
Authors of publication |
Zhang, Ya-Wen; Zhang, Gong; Sun, Yan-Yan; Cheng, Lin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
8 |
Pages of publication |
m1073 |
a |
19.124 ± 0.005 Å |
b |
19.124 ± 0.005 Å |
c |
14.912 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
5454 ± 2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
142 |
Hermann-Mauguin space group symbol |
I 41/a c d :2 |
Hall space group symbol |
-I 4bd 2c |
Residual factor for all reflections |
0.0617 |
Residual factor for significantly intense reflections |
0.055 |
Weighted residual factors for significantly intense reflections |
0.1172 |
Weighted residual factors for all reflections included in the refinement |
0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.094 |
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/2219167.html