Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230140
Preview
| Coordinates | 2230140.cif |
|---|---|
| Structure factors | 2230140.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate |
|---|---|
| Formula | C38 H46 Co N4 O11 S2 |
| Calculated formula | C38 H46 Co N4 O11 S2 |
| SMILES | c1(ccc(cc1)c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Co]([OH2])([n]1ccc(cc1)CCCc1ccncc1)([n]1ccc(cc1)CCCc1ccncc1)([OH2])([OH2])[OH2].O |
| Title of publication | <i>trans</i>-Tetraaquabis[1,3-bis(4-pyridyl)propane-κ<i>N</i>]cobalt(II) biphenyl-4,4'-disulfonate monohydrate |
| Authors of publication | Liu, Guang-Xiang; Xu, Xu-Yong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m651 - m652 |
| a | 15.555 ± 0.003 Å |
| b | 18.983 ± 0.003 Å |
| c | 14.725 ± 0.003 Å |
| α | 90° |
| β | 113.959 ± 0.003° |
| γ | 90° |
| Cell volume | 3973.4 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0658 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1261 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181223 (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 2/23/01. |
2230140.cif 2230140.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. |
2230140.cif 2230140.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230140.cif 2230140.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. | 2230140.cif 2230140.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230140.cif 2230140.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230140.cif 2230140.hkl |
| 20213 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230140 via cif-deposit CGI script. |
2230140.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.