Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037852
Preview
Coordinates | 7037852.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H26 Mg N16 O14 |
---|---|
Calculated formula | C8 H26 Mg N16 O14 |
SMILES | c1n(c([O-])nn1)/N=N/N1C(=O)NN=C1.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.C1(=O)NN=CN1/N=N/n1c([O-])nnc1.O.O |
Title of publication | Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. |
Authors of publication | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3590 - 3598 |
a | 19.528 ± 0.005 Å |
b | 10.445 ± 0.003 Å |
c | 12.557 ± 0.003 Å |
α | 90° |
β | 110.294 ± 0.002° |
γ | 90° |
Cell volume | 2402.3 ± 1.1 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0547 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.1014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7037852.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.