Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015852
Preview
| Coordinates | 7015852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H44 Cl2 Cu N8 O8 |
|---|---|
| Calculated formula | C28 H44 Cl2 Cu N8 O8 |
| SMILES | c12c(ccc(c1)Cl)O[Cu]1([N](=C2)n2c(C)nnc2C)[N](=Cc2c(ccc(c2)Cl)O1)n1c(C)nnc1C.O.OC.OCC.O.OC.OCC |
| Title of publication | Mononuclear copper(ii) complexes with 3,5-substituted-4-salicylidene-amino-3,5-dimethyl-1,2,4-triazole: synthesis, structure and potent inhibition of protein tyrosine phosphatases. |
| Authors of publication | Ma, Ling; Lu, Liping; Zhu, Miaoli; Wang, Qingming; Li, Ying; Xing, Shu; Fu, Xueqi; Gao, Zengqiang; Dong, Yuhui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 24 |
| Pages of publication | 6532 - 6540 |
| a | 7.7403 ± 0.0006 Å |
| b | 8.7315 ± 0.0007 Å |
| c | 15.534 ± 0.002 Å |
| α | 102.878 ± 0.002° |
| β | 100.102 ± 0.002° |
| γ | 101.399 ± 0.001° |
| Cell volume | 976.45 ± 0.17 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0883 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1616 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179862 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58. |
7015852.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015852.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015852.cif |
| 21366 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015851, 7015852 via cif-deposit CGI script. |
7015852.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.