Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230629
Preview
| Coordinates | 2230629.cif |
|---|---|
| Structure factors | 2230629.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis{<i>N</i>,<i>N</i>-diethyl-4-[(pyridin-2- yl-κ<i>N</i>)diazenyl]aniline}zinc |
|---|---|
| Formula | C30 H36 Cl2 N8 Zn |
| Calculated formula | C30 H36 Cl2 N8 Zn |
| SMILES | [Zn](Cl)(Cl)([n]1ccccc1N=Nc1ccc(N(CC)CC)cc1)[n]1ccccc1N=Nc1ccc(N(CC)CC)cc1 |
| Title of publication | Dichloridobis{<i>N</i>,<i>N</i>-diethyl-4-[(pyridin-2-yl-κ<i>N</i>)diazenyl]aniline}zinc |
| Authors of publication | Leesakul, Nararak; Pakawatchai, Chaveng; Saithong, Saowanit; Tantirungrotechai, Yuthana; Kwanplod, Kwanchanok |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m955 - m956 |
| a | 13.4058 ± 0.0006 Å |
| b | 13.8797 ± 0.0006 Å |
| c | 16.8157 ± 0.0008 Å |
| α | 90° |
| β | 100.562 ± 0.001° |
| γ | 90° |
| Cell volume | 3075.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181228 (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 2/23/06. |
2230629.cif 2230629.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. |
2230629.cif 2230629.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230629.cif 2230629.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. | 2230629.cif 2230629.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230629.cif 2230629.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230629.cif 2230629.hkl |
| 22937 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230629 via cif-deposit CGI script. |
2230629.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.