Information card for entry 2231348
Chemical name |
Triaqua(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato- κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)cobalt(II) monohydrate |
Formula |
C8 H16 Co O9 |
Calculated formula |
C8 H16 Co O9 |
SMILES |
[Co]12(OC(=O)[C@H]3[C@H]4[O]2[C@@H]([C@H]3C(=O)O1)CC4)([OH2])([OH2])[OH2].O |
Title of publication |
Triaqua(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)cobalt(II) monohydrate |
Authors of publication |
Zhang, Fan; Jia, Ai-Ping; Lin, Qiu-Yue |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
8 |
Pages of publication |
m1119 - m1120 |
a |
10.0965 ± 0.0003 Å |
b |
10.0208 ± 0.0003 Å |
c |
14.5893 ± 0.0003 Å |
α |
90° |
β |
129.177 ± 0.001° |
γ |
90° |
Cell volume |
1144.25 ± 0.06 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for significantly intense reflections |
0.0234 |
Weighted residual factors for significantly intense reflections |
0.0627 |
Weighted residual factors for all reflections included in the refinement |
0.0633 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.078 |
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/2231348.html