Information card for entry 7050318
| Common name |
1,4,7,10-tetraazacyclododecane-dihydrogentriiodide-diiodine-diacetonitrile |
| Chemical name |
1,4,7,10-tetraazacyclododecane-dihydrogentriiodide-diiodine-diacetonitrile |
| Formula |
C12 H28 I10 N6 |
| Calculated formula |
C12 H28 I10 N6 |
| Title of publication |
Anion Binding to Azamacrocycles: Synthesis and X-ray Crystal Structures of Halide Adducts of [12]aneN~4~ and [18]aneN~6~ |
| Authors of publication |
Warden, Andrew C.; Warren, Mark; Spiccia, Leone; Hearn, Milton T. W. |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2004 |
| Journal volume |
28 |
| Journal issue |
9 |
| Pages of publication |
1160 - 1167 |
| a |
25.4408 ± 0.0004 Å |
| b |
8.0708 ± 0.0003 Å |
| c |
16.7769 ± 0.0002 Å |
| α |
90° |
| β |
103.915 ± 0.001° |
| γ |
90° |
| Cell volume |
3343.67 ± 0.14 Å3 |
| Cell temperature |
123 ± 2 K |
| Ambient diffraction temperature |
123 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0672 |
| Residual factor for significantly intense reflections |
0.0428 |
| Weighted residual factors for significantly intense reflections |
0.0927 |
| Weighted residual factors for all reflections included in the refinement |
0.1032 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.019 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7050318.html
