Information card for entry 2212821
Chemical name |
trans-Diaqua(isonicotinamide-κN)(pyridine-2,6-dicarboxylate- κ^3^N,O,O')cobalt(III) |
Formula |
C13 H13 Co N3 O7 |
Calculated formula |
C13 H13 Co N3 O7 |
SMILES |
[Co]12([OH2])([OH2])(OC(=O)c3[n]2c(ccc3)C(=O)O1)[n]1ccc(cc1)C(=O)N |
Title of publication |
<i>trans</i>-Diaqua(isonicotinamide-κ<i>N</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')cobalt(III) |
Authors of publication |
Germán-Acacio, Juan Manuel; Hernández-Ortega, Simón; Valdés-Martínez, Jesús |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
4 |
Pages of publication |
m1057 - m1058 |
a |
17.7893 ± 0.0008 Å |
b |
10.9635 ± 0.0008 Å |
c |
15.7479 ± 0.0009 Å |
α |
90° |
β |
105.295 ± 0.002° |
γ |
90° |
Cell volume |
2962.6 ± 0.3 Å3 |
Cell temperature |
291 ± 2 K |
Ambient diffraction temperature |
291 ± 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 |
0.0363 |
Residual factor for significantly intense reflections |
0.0297 |
Weighted residual factors for significantly intense reflections |
0.0711 |
Weighted residual factors for all reflections included in the refinement |
0.0733 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.958 |
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/2212821.html