Information card for entry 8106207
| Formula |
C16 H18 N4 O8 |
| Calculated formula |
C16 H18 N4 O8 |
| Title of publication |
Crystal structure of 1,3,5,7-tetraazaadamantane-1,3-diium 2,5-dicarboxyterephthalate, C16H18N4O8 |
| Authors of publication |
Wei, Xiao; Guang-Ming, Bao; Ting-Ting, Sun; Chun-Yan, Hu; Hou-Qun, Yuan |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2018 |
| Journal volume |
233 |
| Journal issue |
4 |
| Pages of publication |
535 - 536 |
| a |
14.517 ± 0.004 Å |
| b |
18.006 ± 0.007 Å |
| c |
6.916 ± 0.003 Å |
| α |
90° |
| β |
116.97 ± 0.03° |
| γ |
90° |
| Cell volume |
1611.2 ± 1.1 Å3 |
| Cell temperature |
272 ± 2 K |
| Ambient diffraction temperature |
272 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
12 |
| Hermann-Mauguin space group symbol |
C 1 2/m 1 |
| Hall space group symbol |
-C 2y |
| Residual factor for all reflections |
0.085 |
| Residual factor for significantly intense reflections |
0.0497 |
| Weighted residual factors for significantly intense reflections |
0.1217 |
| Weighted residual factors for all reflections included in the refinement |
0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/8106207.html
