Information card for entry 2222367
Chemical name |
<i>N</i>,<i>N</i>',<i>N</i>''-Tris(2-nitrobenzyl)-2,2',2''- nitrilotriethanaminium trichloride 1.41-hydrate |
Formula |
C27 H38.83 Cl3 N7 O7.41 |
Calculated formula |
C27 H38.828 Cl3 N7 O7.414 |
Title of publication |
<i>N</i>,<i>N</i>',<i>N</i>''-Tris(2-nitrobenzyl)-2,2',2''-nitrilotriethanaminium trichloride 1.41-hydrate |
Authors of publication |
Elizondo, Perla; Bernès, Sylvain; Nájera, Blanca; Góngora, Francisco |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
7 |
Pages of publication |
o1616 - o1617 |
a |
9.131 ± 0.002 Å |
b |
13.009 ± 0.004 Å |
c |
28.071 ± 0.007 Å |
α |
90° |
β |
94.19 ± 0.009° |
γ |
90° |
Cell volume |
3325.5 ± 1.5 Å3 |
Cell temperature |
298 ± 1 K |
Ambient diffraction temperature |
298 ± 1 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 |
0.0932 |
Residual factor for significantly intense reflections |
0.0557 |
Weighted residual factors for significantly intense reflections |
0.1458 |
Weighted residual factors for all reflections included in the refinement |
0.1754 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
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/2222367.html