Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018829
Preview
| Coordinates | 2018829.cif |
|---|---|
| Structure factors | 2018829.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-poly[[diaqua(4-hydroxybenzohydrazide)zinc(II)]-μ-sulfato] |
|---|---|
| Formula | C7 H12 N2 O8 S Zn |
| Calculated formula | C7 H12 N2 O8 S Zn |
| SMILES | [Zn]1([OH2])([OH2])([O]=C(N[NH2]1)c1ccc(O)cc1)OS(=O)(=O)O[Zn]1([OH2])([OH2])([O]=C(N[NH2]1)c1ccc(O)cc1)O[S](=O)(=O)[O-] |
| Title of publication | A helical coordination polymer of zinc(II), 4-hydroxybenzohydrazide and sulfate ions |
| Authors of publication | Zasłona, Halina; Drożdżewski, Piotr; Barys, Maciej |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | 229 - 231 |
| a | 13.365 ± 0.005 Å |
| b | 5.714 ± 0.003 Å |
| c | 15.357 ± 0.003 Å |
| α | 90° |
| β | 102.98 ± 0.03° |
| γ | 90° |
| Cell volume | 1142.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0343 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180857 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/88. |
2018829.cif 2018829.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018829.cif 2018829.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. |
2018829.cif 2018829.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018829.cif 2018829.hkl |
| 78840 | 2013-04-02 | cif/ Adding structures of 2018829 via cif-deposit CGI script. |
2018829.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.