Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052575
Preview
| Coordinates | 7052575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C8 H6 N4 O2 S |
|---|---|
| Calculated formula | C8 H6 N4 O2 S |
| SMILES | S(=O)(=O)(c1nccnc1)c1nccnc1 |
| Title of publication | Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts |
| Authors of publication | Wan, Chong-Qing; Mak, Thomas C. W. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 2 |
| Pages of publication | 319 |
| a | 5.7845 ± 0.001 Å |
| b | 7.2446 ± 0.0013 Å |
| c | 22.243 ± 0.004 Å |
| α | 90° |
| β | 92.951 ± 0.004° |
| γ | 90° |
| Cell volume | 930.9 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7052575.cif |
| 180079 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052575.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052575.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052575.cif |
| 14957 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052570, 7052571, 7052572, 7052573, 7052574, 7052575 via cif-deposit CGI script. |
7052575.cif |
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.