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Information card for entry 7056862
Preview
| Coordinates | 7056862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Cu2(Et3en)2(N3)4] |
|---|---|
| Formula | C16 H40 Cu2 N16 |
| Calculated formula | C16 H40 Cu2 N16 |
| SMILES | C1C[NH]([Cu]2([N]1(CC)CC)([N](=N#N)[Cu]1([N](CC[NH]1CC)(CC)CC)([N]2=N#N)N=N#N)N=N#N)CC |
| Title of publication | Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality |
| Authors of publication | Massoud, Salah S.; Henary, Maher M.; Maxwell, Lindley; Martín, Alejandro; Ruiz, Eliseo; Vicente, Ramon; Fischer, Roland C.; Mautner, Franz A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 4 |
| Pages of publication | 2627 |
| a | 8.586 ± 0.001 Å |
| b | 8.607 ± 0.001 Å |
| c | 9.1858 ± 0.0012 Å |
| α | 85.11 ± 0.014° |
| β | 84.7 ± 0.013° |
| γ | 78.652 ± 0.016° |
| Cell volume | 661.15 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056862.cif |
| 230281 | 2019-11-17 | cif/ Updating files of 7056862, 7056863, 7056864, 7056865 Original log message: Adding full bibliography for 7056862--7056865.cif. |
7056862.cif |
| 204969 | 2018-01-09 | cif/ Adding structures of 7056862, 7056863, 7056864, 7056865 via cif-deposit CGI script. |
7056862.cif |
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Users of the data should acknowledge the original authors of the
structural data.