Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233034
Preview
| Coordinates | 2233034.cif |
|---|---|
| Structure factors | 2233034.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Tris{2-[(5-hydroxypyridin-2-yl-κ<i>N</i>)methylideneimino- κ<i>N</i>]ethyl}amine)zinc dinitrate |
|---|---|
| Formula | C24 H27 N9 O9 Zn |
| Calculated formula | C24 H27 N9 O9 Zn |
| SMILES | [Zn]12345[N](CCN(CC[N]2=Cc2[n]3cc(O)cc2)CC[N]4=Cc2[n]5cc(O)cc2)=Cc2[n]1cc(O)cc2.O=N(=O)[O-].O=N(=O)[O-] |
| Title of publication | (Tris{2-[(5-hydroxypyridin-2-yl-κ<i>N</i>)methylideneimino-κ<i>N</i>]ethyl}amine)zinc dinitrate |
| Authors of publication | Seredyuk, Maksym; Znovjyak, Kateryna O.; Haukka, Matti; Pavlenko, Vadim A.; Bokach, Nadezhda A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1791 - m1792 |
| a | 28.0587 ± 0.0012 Å |
| b | 10.3677 ± 0.0002 Å |
| c | 19.1322 ± 0.0008 Å |
| α | 90° |
| β | 101.277 ± 0.002° |
| γ | 90° |
| Cell volume | 5458.2 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233034.cif 2233034.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. |
2233034.cif 2233034.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233034.cif 2233034.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233034.cif 2233034.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233034.cif 2233034.hkl |
| 31928 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233034 via cif-deposit CGI script. |
2233034.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.