Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020406
Preview
| Coordinates | 2020406.cif |
|---|---|
| Structure factors | 2020406.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[tetra-μ-aqua-[μ~4~-4,4'-diazenediyl-bis(5-oxo-1<i>H</i>-1,2,4-triazolido)]disodium(I)] |
|---|---|
| Formula | C4 H10 N8 Na2 O6 |
| Calculated formula | C4 H10 N8 Na2 O6 |
| SMILES | c1n(c(nn1)[O-])N=Nn1cnnc1[O-].O.O.O.O.[Na+].[Na+] |
| Title of publication | Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1<i>H</i>-1,2,4-triazol-5-one) |
| Authors of publication | Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 166 - 169 |
| a | 6.4055 ± 0.0014 Å |
| b | 11.587 ± 0.003 Å |
| c | 15.805 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1173.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181874 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020406.cif 2020406.hkl |
| 177471 | 2016-03-04 | cif/ Updating files of 2020406 Original log message: Adding full bibliography for 2020406.cif. |
2020406.cif 2020406.hkl |
| 175181 | 2016-01-28 | cif/ hkl/ Adding structures of 2020406 via cif-deposit CGI script. |
2020406.cif 2020406.hkl |
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.