Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233460
Preview
| Coordinates | 2233460.cif |
|---|---|
| Structure factors | 2233460.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[diaquadiformatocobalt(II)]-μ-1,4- bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate] |
|---|---|
| Formula | C22 H24 Co N4 O8 |
| Calculated formula | C22 H24 Co N4 O8 |
| SMILES | [Co]([OH2])(OC=O)(OC=O)([OH2])([n]1cn(c2c1cccc2)c1ccc(cc1)n2cnc3c2cccc3)[n]1cn(c2c1cccc2)c1ccc(cc1)n2c[n](c3c2cccc3)[Co](OC=O)(OC=O)([OH2])[OH2].O.O.O.O |
| Title of publication | <i>catena</i>-Poly[[[diaquadiformatocobalt(II)]-μ-1,4-bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate] |
| Authors of publication | Huang, Ping-Yun; Wang, Jin-Guo; Guo, Sheng-Wu; Shi, Gang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m94 |
| a | 7.497 ± 0.004 Å |
| b | 9.136 ± 0.005 Å |
| c | 9.443 ± 0.007 Å |
| α | 78.289 ± 0.019° |
| β | 77.858 ± 0.019° |
| γ | 67.72 ± 0.02° |
| Cell volume | 579.6 ± 0.6 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181256 (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 2/23/34. |
2233460.cif 2233460.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. |
2233460.cif 2233460.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233460.cif 2233460.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. | 2233460.cif 2233460.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233460.cif 2233460.hkl |
| 38256 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233460 via cif-deposit CGI script. |
2233460.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.