Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4505478
Preview
| Coordinates | 4505478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 N2 Ni2 O14 |
|---|---|
| Calculated formula | C28 H28 N2 Ni2 O14 |
| SMILES | c1cc(cc[n]1[Ni]12(OC(=O)C[O]2c2c(C(=O)O1)cccc2)([OH2])[OH2])c1cc[n](cc1)[Ni]12(OC(=O)C[O]2c2c(cccc2)C(=O)O1)([OH2])[OH2] |
| Title of publication | Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid |
| Authors of publication | Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 1201 |
| a | 6.587 ± 0.0013 Å |
| b | 9.866 ± 0.002 Å |
| c | 11.756 ± 0.002 Å |
| α | 97.88 ± 0.03° |
| β | 105.16 ± 0.03° |
| γ | 102.98 ± 0.03° |
| Cell volume | 702.8 ± 0.3 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 | 0.0706 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179589 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/54. |
4505478.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4505478.cif |
| 51772 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505473, 4505474, 4505475, 4505476, 4505477, 4505478, 4505479, 4505480, 4505481 via cif-deposit CGI script. |
4505478.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.