Information card for entry 2230954
Chemical name |
1,1'-(Ethane-1,2-diyl)dipyridinium bis(iodate) |
Formula |
C12 H14 I2 N2 O6 |
Calculated formula |
C12 H14 I2 N2 O6 |
SMILES |
I(=O)(=O)[O-].[n+]1(ccccc1)CC[n+]1ccccc1.I(=O)(=O)[O-] |
Title of publication |
1,1'-(Ethane-1,2-diyl)dipyridinium bis(iodate) |
Authors of publication |
Gholizadeh, Mostafa; Maleki, Behrooz; Pourayoubi, Mehrdad; Kia, Mehdi; Notash, Behrouz |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1614 - o1615 |
a |
7.9357 ± 0.0004 Å |
b |
10.231 ± 0.0004 Å |
c |
18.6041 ± 0.0009 Å |
α |
90° |
β |
91.017 ± 0.004° |
γ |
90° |
Cell volume |
1510.23 ± 0.12 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0435 |
Residual factor for significantly intense reflections |
0.0265 |
Weighted residual factors for significantly intense reflections |
0.0508 |
Weighted residual factors for all reflections included in the refinement |
0.0542 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.011 |
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/2230954.html