Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237029
Preview
| Coordinates | 2237029.cif |
|---|---|
| Structure factors | 2237029.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Tetraaquabis[2-(4-chlorophenoxy)acetato-κ<i>O</i>^1^]nickel(II) |
|---|---|
| Formula | C16 H20 Cl2 Ni O10 |
| Calculated formula | C16 H20 Cl2 Ni O10 |
| SMILES | c1(ccc(cc1)Cl)OCC(=O)O[Ni]([OH2])(OC(=O)COc1ccc(cc1)Cl)([OH2])([OH2])[OH2] |
| Title of publication | <i>trans</i>-Tetraaquabis[2-(4-chlorophenoxy)acetato-κ<i>O</i>^1^]nickel(II) |
| Authors of publication | Ashurov, Jamshid; Ziyaev, Mavlonbek; Ibragimov, Bakhtiyar; Talipov, Samat |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1464 |
| a | 4.894 ± 0.003 Å |
| b | 5.769 ± 0.004 Å |
| c | 18.369 ± 0.009 Å |
| α | 97.226 ± 0.003° |
| β | 90.088 ± 0.004° |
| γ | 96.796 ± 0.004° |
| Cell volume | 510.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.0986 |
| Weighted residual factors for significantly intense reflections | 0.2453 |
| Weighted residual factors for all reflections included in the refinement | 0.2716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (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 2/23/70. |
2237029.cif 2237029.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. |
2237029.cif 2237029.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237029.cif 2237029.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. | 2237029.cif 2237029.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2237029.cif 2237029.hkl |
| 71305 | 2013-01-18 | cif/ Adding structures of 2237029 via cif-deposit CGI script. |
2237029.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.