Information card for entry 2203934
Chemical name |
N,N,N',N'-Tetrakis(2-pyridiniomethyl)-1,3-diaminopropane tetraperchlorate hydrate |
Formula |
C27 H36 Cl4 N6 O17 |
Calculated formula |
C27 H36 Cl4 N6 O17 |
SMILES |
N(CCCN(Cc1[nH+]cccc1)Cc1[nH+]cccc1)(Cc1[nH+]cccc1)Cc1[nH+]cccc1.O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication |
<i>N,N,N</i>',<i>N</i>'-Tetrakis(2-pyridiniomethyl)-1,3-diaminopropane tetraperchlorate monohydrate |
Authors of publication |
Fujihara, Takashi; Saito, Miki; Nagasawa, Akira |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
7 |
Pages of publication |
o1126 - o1128 |
a |
11.6648 ± 0.0006 Å |
b |
12.3882 ± 0.0006 Å |
c |
12.5333 ± 0.0006 Å |
α |
92.168 ± 0.001° |
β |
91.05 ± 0.001° |
γ |
92.252 ± 0.001° |
Cell volume |
1808.09 ± 0.15 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.072 |
Residual factor for significantly intense reflections |
0.066 |
Weighted residual factors for significantly intense reflections |
0.1775 |
Weighted residual factors for all reflections included in the refinement |
0.1829 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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