Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052615
Preview
| Coordinates | 7052615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N4 Ni O6 |
|---|---|
| Calculated formula | C20 H18 N4 Ni O6 |
| SMILES | C1(=O)c2cc(c3ccccc3)[nH][n]2[Ni]2(O1)([n]1c(C(=O)O2)cc(c2ccccc2)[nH]1)([OH2])[OH2] |
| Title of publication | Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks |
| Authors of publication | Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 4 |
| Pages of publication | 865 |
| a | 4.8445 ± 0.0009 Å |
| b | 32.906 ± 0.006 Å |
| c | 6.2836 ± 0.0011 Å |
| α | 90° |
| β | 105.406 ± 0.002° |
| γ | 90° |
| Cell volume | 965.7 ± 0.3 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180080 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052615.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052615.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052615.cif |
| 21241 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7052615, 7052616, 7052617, 7052618, 7052619, 7052620, 7052621, 7052622 via cif-deposit CGI script. |
7052615.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.