Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237797
Preview
| Coordinates | 2237797.cif |
|---|---|
| Structure factors | 2237797.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[tetraaquacadmium]-μ-5,5'-(1,4-phenylene)di(tetrazol-2-ido)-κ^2^<i>N</i>^2^:<i>N</i>^2'^] |
|---|---|
| Formula | C8 H12 Cd N8 O4 |
| Calculated formula | C8 H12 Cd N8 O4 |
| SMILES | [Cd]([OH2])([OH2])([OH2])([OH2])(n1nc(nn1)c1ccc(c2nnn[n-]2)cc1)n1nc(nn1)c1ccc(cc1)c1n[n](nn1)[Cd]([OH2])([OH2])([OH2])[OH2] |
| Title of publication | <i>catena</i>-Poly[[tetraaquacadmium]-μ-5,5'-(1,4-phenylene)di(tetrazol-2-ido)-κ^2^<i>N</i>^2^:<i>N</i>^2'^] |
| Authors of publication | Dang, Qinqin; Caiyun, Han |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | m283 |
| a | 5.3188 ± 0.0004 Å |
| b | 11.1525 ± 0.0014 Å |
| c | 12.0279 ± 0.0008 Å |
| α | 90° |
| β | 101.256 ± 0.007° |
| γ | 90° |
| Cell volume | 699.75 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/77. |
2237797.cif 2237797.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237797.cif 2237797.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237797.cif 2237797.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237797.cif 2237797.hkl |
| 86461 | 2013-07-11 | cif/ Adding structures of 2237797 via cif-deposit CGI script. |
2237797.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.