Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231077
Preview
| Coordinates | 2231077.cif |
|---|---|
| Structure factors | 2231077.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]- μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C12 H18 Co N2 O6 S |
| Calculated formula | C12 H18 Co N2 O6 S |
| SMILES | [Co]([OH2])([OH2])([n]1cc(ccc1)C)([n]1cc(ccc1)C)OS(=O)(=O)O[Co]([OH2])([OH2])(OS(=O)(=O)[O-])([n]1cc(C)ccc1)[n]1cc(ccc1)C |
| Title of publication | <i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] |
| Authors of publication | Alam, Naveed; Zeller, Matthias; Ahmad Tajidi, Nur Syamimi; Arifin, Zainudin; Mazhar, Muhammad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1065 - m1066 |
| a | 15.132 ± 0.002 Å |
| b | 16.687 ± 0.002 Å |
| c | 6.4503 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1628.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181232 (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 2/23/10. |
2231077.cif 2231077.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. |
2231077.cif 2231077.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231077.cif 2231077.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. | 2231077.cif 2231077.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231077.cif 2231077.hkl |
| 26975 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231077 via cif-deposit CGI script. |
2231077.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.