Information card for entry 2011852
| Chemical name |
1,4,8,11-tetraazacyclotetradecane-2,9-dione dihydrate |
| Formula |
C10 H24 N4 O4 |
| Calculated formula |
C10 H24 N4 O4 |
| Title of publication |
<i>trans</i>-Dioxocyclam (1,4,8,11-tetraazacyclotetradecane-2,9-dione) dihydrate and its Ni^II^ complex |
| Authors of publication |
Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2001 |
| Journal volume |
57 |
| Journal issue |
4 |
| Pages of publication |
359 - 362 |
| a |
4.869 ± 0.003 Å |
| b |
7.53 ± 0.005 Å |
| c |
9.15 ± 0.005 Å |
| α |
83.037 ± 0.01° |
| β |
88.727 ± 0.015° |
| γ |
79.806 ± 0.01° |
| Cell volume |
327.7 ± 0.3 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.066 |
| Residual factor for significantly intense reflections |
0.046 |
| Weighted residual factors for all reflections included in the refinement |
0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.967 |
| 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/2011852.html
