Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036510
Preview
| Coordinates | 7036510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 Fe N2 Ni O2 |
|---|---|
| Calculated formula | C25 H22 Fe N2 Ni O2 |
| SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[c]7([cH]6[cH]51)C1O[Ni]2([N](=C(C=1)C)c1ccccc1O2)[n]1ccccc1 |
| Title of publication | Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study. |
| Authors of publication | Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 41 |
| Pages of publication | 18019 - 18037 |
| a | 7.5236 ± 0.0005 Å |
| b | 22.6943 ± 0.0012 Å |
| c | 23.9482 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4089 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171186 (current) | 2015-12-09 | cif/ Updating files of 7036507, 7036508, 7036509, 7036510, 7036511 Original log message: Adding full bibliography for 7036507--7036511.cif. |
7036510.cif |
| 156313 | 2015-09-15 | cif/ Adding structures of 7036507, 7036508, 7036509, 7036510, 7036511 via cif-deposit CGI script. |
7036510.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.