Information card for entry 2231693
Chemical name |
Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)} |
Formula |
C24 H20 Cl4 Hg2 N12 |
Calculated formula |
C24 H20 Cl4 Hg2 N12 |
SMILES |
c1(n[n]2[Hg]3(Cl)([Cl][Hg]4([n]5ccccc5c5[n]4nc(c4ccccn4)n5N)(Cl)[Cl]3)[n]3ccccc3c2n1N)c1ccccn1 |
Title of publication |
Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)} |
Authors of publication |
Guo, Jian; Tang, Min; Chen, Jing; Li, Cheng-Peng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
9 |
Pages of publication |
m1180 |
a |
11.3634 ± 0.0004 Å |
b |
14.9962 ± 0.0006 Å |
c |
17.2328 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2936.6 ± 0.2 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0335 |
Residual factor for significantly intense reflections |
0.0224 |
Weighted residual factors for significantly intense reflections |
0.0523 |
Weighted residual factors for all reflections included in the refinement |
0.0583 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
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/2231693.html