Information card for entry 2210667
Chemical name |
(1,4,7-tribenzyl-1,4,7-triazacyclononane)diazidocopper(II) |
Formula |
C27 H33 Cu N9 |
Calculated formula |
C27 H33 Cu N9 |
SMILES |
[Cu]12([N]3(CC[N]1(CC[N]2(CC3)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)(N=N#N)N=N#N |
Title of publication |
Diazido(1,4,7-tribenzyl-1,4,7-triazacyclononane-κ^3^<i>N</i>)copper(II) |
Authors of publication |
Yang, Yong-Sheng; Gu, Wen; Qian, Jing; Gao, Feng-Xian; Yan, Shi-Ping |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
10 |
Pages of publication |
m2437 - m2438 |
a |
14.105 ± 0.007 Å |
b |
8.999 ± 0.005 Å |
c |
21.603 ± 0.011 Å |
α |
90° |
β |
100.47 ± 0.007° |
γ |
90° |
Cell volume |
2696 ± 2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0391 |
Residual factor for significantly intense reflections |
0.0285 |
Weighted residual factors for significantly intense reflections |
0.0746 |
Weighted residual factors for all reflections included in the refinement |
0.0792 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
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/2210667.html