Information card for entry 7240078
| Formula |
C12 H16 Cd K2 N12 O16 |
| Calculated formula |
C12 H16 Cd K2 N12 O16 |
| Title of publication |
Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions |
| Authors of publication |
Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun |
| Journal of publication |
CrystEngComm |
| Year of publication |
2020 |
| a |
10.6404 ± 0.0006 Å |
| b |
16.1413 ± 0.001 Å |
| c |
7.0699 ± 0.0004 Å |
| α |
90° |
| β |
99.247 ± 0.006° |
| γ |
90° |
| Cell volume |
1198.48 ± 0.12 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0198 |
| Residual factor for significantly intense reflections |
0.0197 |
| Weighted residual factors for significantly intense reflections |
0.0514 |
| Weighted residual factors for all reflections included in the refinement |
0.0515 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.113 |
| 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/7240078.html
