Information card for entry 7211803
| Formula |
C6 H4 Br Cu2 N5 |
| Calculated formula |
C6 H4 Br Cu2 N5 |
| Title of publication |
Topological derivation from centrosymmetry to noncentrosymmetry in a three-dimensional polar framework material |
| Authors of publication |
Wang, Fei; Zhang, Jian; Yu, Rongmin; Chen, Shu-Mei; Wu, Xiao-Yuan; Chen, Shan-Ci; Xie, Yi-Ming; Zhou, Wei-Wei; Lu, Can-Zhong |
| Journal of publication |
CrystEngComm |
| Year of publication |
2010 |
| Journal volume |
12 |
| Journal issue |
3 |
| Pages of publication |
671 |
| a |
19.71 ± 0.009 Å |
| b |
3.7857 ± 0.0016 Å |
| c |
11.663 ± 0.005 Å |
| α |
90° |
| β |
103.23 ± 0.002° |
| γ |
90° |
| Cell volume |
847.2 ± 0.6 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0287 |
| Residual factor for significantly intense reflections |
0.0264 |
| Weighted residual factors for significantly intense reflections |
0.0683 |
| Weighted residual factors for all reflections included in the refinement |
0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.089 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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