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Information card for entry 7036511
Preview
| Coordinates | 7036511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 Cu Fe N2 O2 |
|---|---|
| Calculated formula | C25 H22 Cu Fe N2 O2 |
| SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[c]81C1=CC(C)=[N]2[Cu](O1)(Oc1ccccc21)[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 | 7.5792 ± 0.0005 Å |
| b | 23.0612 ± 0.0013 Å |
| c | 23.4845 ± 0.0015 Å |
| α | 90° |
| β | 90.527 ± 0.002° |
| γ | 90° |
| Cell volume | 4104.6 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1438 |
| Weighted residual factors for all reflections included in the refinement | 0.1593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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 |
|---|---|---|---|
| 182257 (current) | 2016-04-27 | cif/7 Fixing some files with wrong Z' |
7036511.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036511.cif |
| 171186 | 2015-12-09 | cif/ Updating files of 7036507, 7036508, 7036509, 7036510, 7036511 Original log message: Adding full bibliography for 7036507--7036511.cif. |
7036511.cif |
| 156313 | 2015-09-15 | cif/ Adding structures of 7036507, 7036508, 7036509, 7036510, 7036511 via cif-deposit CGI script. |
7036511.cif |
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Users of the data should acknowledge the original authors of the
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